USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 920 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 -130:sc= -3.75! USER MOD Set 1.2: B 48 LYS NZ :NH3+ -147:sc= 0.613! (180deg=0) USER MOD Set 2.1: A 39 TYR OH : rot -130:sc= -3.86! USER MOD Set 2.2: A 48 LYS NZ :NH3+ -154:sc= 0.429! (180deg=0) USER MOD Single : A 3 MET CE :methyl 145:sc= -0.151 (180deg=-0.97) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -161:sc= 0.611 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 90:sc= 1.06 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 0.341 (180deg=0.201) 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 : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.9!) USER MOD Single : B 3 MET CE :methyl -156:sc= -0.154 (180deg=-1.24) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 162:sc= -1.47! USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 90:sc= 1.04 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ -159:sc= 0.332 (180deg=0.201) USER MOD Single : B 49 LYS NZ :NH3+ 145:sc= -0.154 (180deg=-0.619) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 2 7.622 -17.310 20.464 1.00 8.91 N ATOM 2 CA PHE A 2 6.659 -17.817 21.483 1.00 8.45 C ATOM 3 C PHE A 2 7.144 -17.463 22.892 1.00 7.63 C ATOM 4 O PHE A 2 8.282 -17.700 23.244 1.00 7.72 O ATOM 5 CB PHE A 2 6.636 -19.333 21.287 1.00 8.96 C ATOM 6 CG PHE A 2 5.591 -19.942 22.191 1.00 9.49 C ATOM 7 CD1 PHE A 2 4.256 -20.002 21.775 1.00 9.97 C ATOM 8 CD2 PHE A 2 5.958 -20.447 23.444 1.00 9.80 C ATOM 9 CE1 PHE A 2 3.287 -20.567 22.613 1.00 10.72 C ATOM 10 CE2 PHE A 2 4.989 -21.012 24.282 1.00 10.54 C ATOM 11 CZ PHE A 2 3.653 -21.072 23.866 1.00 10.99 C ATOM 0 HA PHE A 2 5.668 -17.377 21.370 1.00 8.45 H new ATOM 0 HB2 PHE A 2 6.416 -19.573 20.247 1.00 8.96 H new ATOM 0 HB3 PHE A 2 7.616 -19.754 21.511 1.00 8.96 H new ATOM 0 HD1 PHE A 2 3.973 -19.613 20.808 1.00 9.97 H new ATOM 0 HD2 PHE A 2 6.988 -20.401 23.764 1.00 9.80 H new ATOM 0 HE1 PHE A 2 2.257 -20.613 22.292 1.00 10.72 H new ATOM 0 HE2 PHE A 2 5.272 -21.401 25.249 1.00 10.54 H new ATOM 0 HZ PHE A 2 2.905 -21.508 24.512 1.00 10.99 H new ATOM 21 N MET A 3 6.287 -16.901 23.700 1.00 7.11 N ATOM 22 CA MET A 3 6.698 -16.535 25.086 1.00 6.57 C ATOM 23 C MET A 3 5.702 -17.104 26.100 1.00 5.78 C ATOM 24 O MET A 3 4.581 -17.433 25.766 1.00 5.66 O ATOM 25 CB MET A 3 6.678 -15.006 25.115 1.00 6.89 C ATOM 26 CG MET A 3 7.730 -14.463 24.146 1.00 7.83 C ATOM 27 SD MET A 3 7.845 -12.666 24.326 1.00 8.58 S ATOM 28 CE MET A 3 8.683 -12.652 25.930 1.00 8.76 C ATOM 0 H MET A 3 5.320 -16.679 23.461 1.00 7.11 H new ATOM 0 HA MET A 3 7.679 -16.934 25.345 1.00 6.57 H new ATOM 0 HB2 MET A 3 5.690 -14.639 24.838 1.00 6.89 H new ATOM 0 HB3 MET A 3 6.879 -14.648 26.125 1.00 6.89 H new ATOM 0 HG2 MET A 3 8.698 -14.922 24.348 1.00 7.83 H new ATOM 0 HG3 MET A 3 7.463 -14.720 23.121 1.00 7.83 H new ATOM 0 HE1 MET A 3 9.379 -11.814 25.970 1.00 8.76 H new ATOM 0 HE2 MET A 3 7.945 -12.549 26.725 1.00 8.76 H new ATOM 0 HE3 MET A 3 9.231 -13.585 26.062 1.00 8.76 H new ATOM 38 N LYS A 4 6.099 -17.215 27.338 1.00 5.58 N ATOM 39 CA LYS A 4 5.169 -17.754 28.372 1.00 5.16 C ATOM 40 C LYS A 4 4.343 -16.618 28.981 1.00 4.32 C ATOM 41 O LYS A 4 4.837 -15.532 29.212 1.00 4.43 O ATOM 42 CB LYS A 4 6.075 -18.386 29.429 1.00 5.73 C ATOM 43 CG LYS A 4 6.838 -19.559 28.812 1.00 6.53 C ATOM 44 CD LYS A 4 7.656 -20.264 29.895 1.00 7.41 C ATOM 45 CE LYS A 4 8.515 -21.358 29.256 1.00 8.29 C ATOM 46 NZ LYS A 4 7.900 -22.639 29.702 1.00 8.85 N ATOM 0 H LYS A 4 7.025 -16.957 27.678 1.00 5.58 H new ATOM 0 HA LYS A 4 4.463 -18.474 27.959 1.00 5.16 H new ATOM 0 HB2 LYS A 4 6.776 -17.645 29.813 1.00 5.73 H new ATOM 0 HB3 LYS A 4 5.480 -18.730 30.275 1.00 5.73 H new ATOM 0 HG2 LYS A 4 6.140 -20.260 28.355 1.00 6.53 H new ATOM 0 HG3 LYS A 4 7.496 -19.202 28.020 1.00 6.53 H new ATOM 0 HD2 LYS A 4 8.291 -19.544 30.412 1.00 7.41 H new ATOM 0 HD3 LYS A 4 6.992 -20.698 30.642 1.00 7.41 H new ATOM 0 HE2 LYS A 4 8.514 -21.277 28.169 1.00 8.29 H new ATOM 0 HE3 LYS A 4 9.553 -21.285 29.580 1.00 8.29 H new ATOM 0 HZ1 LYS A 4 8.434 -23.438 29.304 1.00 8.85 H new ATOM 0 HZ2 LYS A 4 7.921 -22.691 30.740 1.00 8.85 H new ATOM 0 HZ3 LYS A 4 6.914 -22.684 29.373 1.00 8.85 H new ATOM 60 N SER A 5 3.083 -16.854 29.228 1.00 3.84 N ATOM 61 CA SER A 5 2.222 -15.781 29.803 1.00 3.10 C ATOM 62 C SER A 5 1.173 -16.388 30.738 1.00 2.34 C ATOM 63 O SER A 5 0.932 -17.579 30.726 1.00 2.87 O ATOM 64 CB SER A 5 1.551 -15.124 28.598 1.00 3.66 C ATOM 65 OG SER A 5 0.619 -16.034 28.027 1.00 4.20 O ATOM 0 H SER A 5 2.613 -17.743 29.057 1.00 3.84 H new ATOM 0 HA SER A 5 2.794 -15.064 30.392 1.00 3.10 H new ATOM 0 HB2 SER A 5 1.043 -14.209 28.904 1.00 3.66 H new ATOM 0 HB3 SER A 5 2.301 -14.841 27.859 1.00 3.66 H new ATOM 0 HG SER A 5 0.411 -15.757 27.110 1.00 4.20 H new ATOM 71 N THR A 6 0.536 -15.577 31.537 1.00 1.82 N ATOM 72 CA THR A 6 -0.509 -16.106 32.459 1.00 1.98 C ATOM 73 C THR A 6 -1.658 -16.722 31.657 1.00 1.52 C ATOM 74 O THR A 6 -2.236 -17.716 32.048 1.00 2.20 O ATOM 75 CB THR A 6 -0.997 -14.890 33.248 1.00 2.86 C ATOM 76 OG1 THR A 6 -1.561 -13.942 32.353 1.00 3.36 O ATOM 77 CG2 THR A 6 0.179 -14.257 33.993 1.00 3.77 C ATOM 0 H THR A 6 0.694 -14.571 31.591 1.00 1.82 H new ATOM 0 HA THR A 6 -0.124 -16.887 33.114 1.00 1.98 H new ATOM 0 HB THR A 6 -1.753 -15.203 33.968 1.00 2.86 H new ATOM 0 HG1 THR A 6 -1.876 -13.163 32.857 1.00 3.36 H new ATOM 0 HG21 THR A 6 -0.170 -13.391 34.555 1.00 3.77 H new ATOM 0 HG22 THR A 6 0.609 -14.986 34.680 1.00 3.77 H new ATOM 0 HG23 THR A 6 0.937 -13.943 33.276 1.00 3.77 H new ATOM 85 N GLY A 7 -1.961 -16.170 30.514 1.00 0.83 N ATOM 86 CA GLY A 7 -3.035 -16.762 29.668 1.00 0.46 C ATOM 87 C GLY A 7 -4.398 -16.515 30.316 1.00 0.43 C ATOM 88 O GLY A 7 -5.219 -17.406 30.411 1.00 0.49 O ATOM 0 H GLY A 7 -1.513 -15.338 30.131 1.00 0.83 H new ATOM 0 HA2 GLY A 7 -3.010 -16.321 28.671 1.00 0.46 H new ATOM 0 HA3 GLY A 7 -2.868 -17.832 29.547 1.00 0.46 H new ATOM 92 N ILE A 8 -4.653 -15.313 30.759 1.00 0.37 N ATOM 93 CA ILE A 8 -5.976 -15.024 31.391 1.00 0.37 C ATOM 94 C ILE A 8 -6.756 -14.024 30.537 1.00 0.32 C ATOM 95 O ILE A 8 -6.203 -13.081 30.021 1.00 0.30 O ATOM 96 CB ILE A 8 -5.646 -14.416 32.751 1.00 0.40 C ATOM 97 CG1 ILE A 8 -4.720 -15.360 33.522 1.00 0.45 C ATOM 98 CG2 ILE A 8 -6.936 -14.208 33.545 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.290 -14.699 34.833 1.00 1.36 C ATOM 0 H ILE A 8 -4.009 -14.523 30.712 1.00 0.37 H new ATOM 0 HA ILE A 8 -6.592 -15.918 31.485 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.149 -13.456 32.607 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.232 -16.300 33.728 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -3.844 -15.599 32.919 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -6.699 -13.774 34.516 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.596 -13.535 32.998 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.434 -15.167 33.688 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -3.631 -15.372 35.381 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -3.762 -13.771 34.616 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.171 -14.482 35.437 1.00 1.36 H new ATOM 111 N VAL A 9 -8.011 -14.274 30.306 1.00 0.32 N ATOM 112 CA VAL A 9 -8.785 -13.386 29.387 1.00 0.29 C ATOM 113 C VAL A 9 -9.922 -12.682 30.134 1.00 0.32 C ATOM 114 O VAL A 9 -10.572 -13.255 30.986 1.00 0.37 O ATOM 115 CB VAL A 9 -9.341 -14.312 28.306 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.201 -13.504 27.333 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.180 -14.957 27.540 1.00 0.30 C ATOM 0 H VAL A 9 -8.536 -15.050 30.709 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.160 -12.598 28.967 1.00 0.29 H new ATOM 0 HB VAL A 9 -9.949 -15.088 28.772 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.597 -14.165 26.562 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.027 -13.042 27.874 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.593 -12.728 26.868 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.576 -15.618 26.769 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.574 -14.179 27.076 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.564 -15.533 28.230 1.00 0.30 H new ATOM 127 N ARG A 10 -10.198 -11.457 29.775 1.00 0.31 N ATOM 128 CA ARG A 10 -11.329 -10.719 30.408 1.00 0.36 C ATOM 129 C ARG A 10 -12.244 -10.146 29.322 1.00 0.31 C ATOM 130 O ARG A 10 -11.853 -10.012 28.182 1.00 0.27 O ATOM 131 CB ARG A 10 -10.673 -9.596 31.211 1.00 0.40 C ATOM 132 CG ARG A 10 -11.745 -8.827 31.986 1.00 0.73 C ATOM 133 CD ARG A 10 -12.263 -9.693 33.136 1.00 0.86 C ATOM 134 NE ARG A 10 -13.343 -8.885 33.768 1.00 1.13 N ATOM 135 CZ ARG A 10 -14.013 -9.364 34.783 1.00 1.36 C ATOM 136 NH1 ARG A 10 -13.739 -10.553 35.249 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.958 -8.651 35.333 1.00 1.91 N ATOM 0 H ARG A 10 -9.685 -10.933 29.066 1.00 0.31 H new ATOM 0 HA ARG A 10 -11.944 -11.359 31.042 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -9.938 -10.010 31.901 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.139 -8.921 30.542 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.331 -7.897 32.375 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.566 -8.557 31.322 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -12.645 -10.647 32.771 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.470 -9.919 33.849 1.00 0.86 H new ATOM 0 HE ARG A 10 -13.560 -7.956 33.408 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -13.000 -11.111 34.821 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.264 -10.924 36.041 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -15.172 -7.722 34.971 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -15.482 -9.023 36.125 1.00 1.91 H new ATOM 151 N LYS A 11 -13.467 -9.840 29.655 1.00 0.32 N ATOM 152 CA LYS A 11 -14.408 -9.316 28.622 1.00 0.29 C ATOM 153 C LYS A 11 -14.252 -7.799 28.478 1.00 0.26 C ATOM 154 O LYS A 11 -13.948 -7.104 29.427 1.00 0.27 O ATOM 155 CB LYS A 11 -15.803 -9.668 29.140 1.00 0.33 C ATOM 156 CG LYS A 11 -15.959 -11.188 29.198 1.00 1.02 C ATOM 157 CD LYS A 11 -17.391 -11.540 29.606 1.00 1.03 C ATOM 158 CE LYS A 11 -17.515 -13.056 29.781 1.00 1.81 C ATOM 159 NZ LYS A 11 -18.946 -13.359 29.501 1.00 2.21 N ATOM 0 H LYS A 11 -13.856 -9.929 30.594 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.219 -9.746 27.638 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -15.953 -9.239 30.131 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.563 -9.239 28.488 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.729 -11.625 28.226 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.252 -11.610 29.913 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -17.650 -11.034 30.536 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.092 -11.192 28.847 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -16.857 -13.588 29.094 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -17.237 -13.361 30.790 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -19.110 -14.381 29.601 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -19.548 -12.844 30.175 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -19.180 -13.064 28.532 1.00 2.21 H new ATOM 173 N VAL A 12 -14.455 -7.282 27.296 1.00 0.22 N ATOM 174 CA VAL A 12 -14.315 -5.810 27.089 1.00 0.21 C ATOM 175 C VAL A 12 -15.615 -5.103 27.475 1.00 0.20 C ATOM 176 O VAL A 12 -16.681 -5.466 27.024 1.00 0.20 O ATOM 177 CB VAL A 12 -14.055 -5.636 25.591 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.501 -4.235 25.327 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.047 -6.683 25.112 1.00 0.28 C ATOM 0 H VAL A 12 -14.712 -7.814 26.465 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.515 -5.386 27.696 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.991 -5.766 25.048 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.316 -4.112 24.260 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.224 -3.489 25.658 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.568 -4.104 25.874 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.867 -6.553 24.045 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.110 -6.562 25.656 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.445 -7.681 25.294 1.00 0.28 H new ATOM 189 N ASP A 13 -15.538 -4.093 28.295 1.00 0.20 N ATOM 190 CA ASP A 13 -16.779 -3.369 28.690 1.00 0.21 C ATOM 191 C ASP A 13 -17.125 -2.303 27.639 1.00 0.22 C ATOM 192 O ASP A 13 -16.549 -2.264 26.571 1.00 0.22 O ATOM 193 CB ASP A 13 -16.466 -2.746 30.058 1.00 0.21 C ATOM 194 CG ASP A 13 -15.876 -1.346 29.888 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.681 -1.244 29.675 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.631 -0.393 29.971 1.00 0.55 O ATOM 0 H ASP A 13 -14.675 -3.738 28.707 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.647 -4.025 28.752 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.375 -2.693 30.657 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.764 -3.379 30.600 1.00 0.21 H new ATOM 201 N GLU A 14 -18.135 -1.519 27.889 1.00 0.23 N ATOM 202 CA GLU A 14 -18.610 -0.556 26.850 1.00 0.26 C ATOM 203 C GLU A 14 -17.472 0.343 26.348 1.00 0.26 C ATOM 204 O GLU A 14 -17.438 0.715 25.192 1.00 0.29 O ATOM 205 CB GLU A 14 -19.679 0.281 27.552 1.00 0.28 C ATOM 206 CG GLU A 14 -20.323 1.237 26.546 1.00 1.22 C ATOM 207 CD GLU A 14 -21.174 0.439 25.556 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.615 -0.639 25.919 1.00 1.99 O ATOM 209 OE2 GLU A 14 -21.371 0.920 24.453 1.00 2.19 O ATOM 0 H GLU A 14 -18.654 -1.501 28.767 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.992 -1.075 25.971 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.437 -0.370 27.988 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.234 0.845 28.372 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -20.942 1.968 27.067 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -19.552 1.794 26.013 1.00 1.22 H new ATOM 216 N LEU A 15 -16.622 0.805 27.222 1.00 0.23 N ATOM 217 CA LEU A 15 -15.596 1.804 26.795 1.00 0.24 C ATOM 218 C LEU A 15 -14.366 1.123 26.184 1.00 0.22 C ATOM 219 O LEU A 15 -13.456 1.781 25.722 1.00 0.24 O ATOM 220 CB LEU A 15 -15.210 2.555 28.069 1.00 0.28 C ATOM 221 CG LEU A 15 -14.061 3.518 27.760 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.382 4.312 26.491 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.883 4.486 28.932 1.00 1.38 C ATOM 0 H LEU A 15 -16.591 0.539 28.206 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.989 2.468 26.025 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.068 3.106 28.454 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.910 1.850 28.844 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.143 2.950 27.609 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.562 4.997 26.273 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.512 3.625 25.655 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.300 4.881 26.640 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.065 5.173 28.715 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.803 5.052 29.080 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.654 3.923 29.837 1.00 1.38 H new ATOM 235 N GLY A 16 -14.300 -0.179 26.209 1.00 0.21 N ATOM 236 CA GLY A 16 -13.090 -0.856 25.663 1.00 0.19 C ATOM 237 C GLY A 16 -11.966 -0.820 26.703 1.00 0.20 C ATOM 238 O GLY A 16 -10.841 -0.459 26.408 1.00 0.20 O ATOM 0 H GLY A 16 -15.022 -0.798 26.579 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.325 -1.888 25.403 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.767 -0.362 24.747 1.00 0.19 H new ATOM 242 N ARG A 17 -12.270 -1.142 27.929 1.00 0.24 N ATOM 243 CA ARG A 17 -11.231 -1.080 28.993 1.00 0.26 C ATOM 244 C ARG A 17 -10.945 -2.486 29.527 1.00 0.26 C ATOM 245 O ARG A 17 -11.776 -3.370 29.455 1.00 0.26 O ATOM 246 CB ARG A 17 -11.838 -0.197 30.084 1.00 0.28 C ATOM 247 CG ARG A 17 -11.986 1.231 29.555 1.00 0.28 C ATOM 248 CD ARG A 17 -12.545 2.132 30.657 1.00 0.29 C ATOM 249 NE ARG A 17 -13.950 1.680 30.846 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.800 2.440 31.488 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.407 3.575 32.002 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.044 2.067 31.618 1.00 1.15 N ATOM 0 H ARG A 17 -13.193 -1.445 28.240 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.284 -0.681 28.631 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.810 -0.588 30.385 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.203 -0.205 30.970 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.020 1.607 29.219 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.650 1.242 28.691 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.971 2.032 31.578 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.503 3.182 30.368 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.250 0.778 30.475 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.436 3.870 31.903 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.071 4.166 32.502 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.355 1.181 31.219 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.705 2.661 32.119 1.00 1.15 H new ATOM 266 N VAL A 18 -9.770 -2.703 30.046 1.00 0.26 N ATOM 267 CA VAL A 18 -9.422 -4.056 30.568 1.00 0.25 C ATOM 268 C VAL A 18 -8.989 -3.953 32.031 1.00 0.24 C ATOM 269 O VAL A 18 -8.566 -2.910 32.488 1.00 0.24 O ATOM 270 CB VAL A 18 -8.259 -4.530 29.696 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.678 -4.498 28.226 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.058 -3.605 29.903 1.00 0.26 C ATOM 0 H VAL A 18 -9.034 -2.002 30.132 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.264 -4.747 30.530 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.987 -5.548 29.974 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.849 -4.836 27.604 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.535 -5.155 28.077 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.949 -3.480 27.947 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.228 -3.942 29.282 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.330 -2.587 29.624 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.759 -3.626 30.951 1.00 0.26 H new ATOM 282 N VAL A 19 -9.163 -5.000 32.787 1.00 0.22 N ATOM 283 CA VAL A 19 -8.843 -4.925 34.240 1.00 0.21 C ATOM 284 C VAL A 19 -7.624 -5.786 34.568 1.00 0.22 C ATOM 285 O VAL A 19 -7.555 -6.944 34.209 1.00 0.23 O ATOM 286 CB VAL A 19 -10.085 -5.471 34.943 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.942 -5.282 36.454 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.323 -4.720 34.448 1.00 0.24 C ATOM 0 H VAL A 19 -9.512 -5.902 32.463 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.603 -3.909 34.554 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.191 -6.533 34.720 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.828 -5.672 36.955 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.061 -5.818 36.806 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.835 -4.221 36.679 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.209 -5.109 34.949 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.217 -3.658 34.670 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.425 -4.857 33.372 1.00 0.24 H new ATOM 298 N ILE A 20 -6.712 -5.261 35.340 1.00 0.22 N ATOM 299 CA ILE A 20 -5.560 -6.088 35.795 1.00 0.24 C ATOM 300 C ILE A 20 -5.978 -6.922 37.011 1.00 0.24 C ATOM 301 O ILE A 20 -6.569 -6.407 37.933 1.00 0.23 O ATOM 302 CB ILE A 20 -4.477 -5.066 36.165 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.687 -4.690 34.910 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.524 -5.657 37.207 1.00 0.24 C ATOM 305 CD1 ILE A 20 -2.638 -3.634 35.265 1.00 1.38 C ATOM 0 H ILE A 20 -6.715 -4.297 35.674 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.207 -6.790 35.039 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.953 -4.179 36.584 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -3.203 -5.573 34.494 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -4.361 -4.306 34.145 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.761 -4.921 37.460 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.084 -5.922 38.104 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.048 -6.549 36.800 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.075 -3.366 34.371 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -3.134 -2.748 35.661 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -1.957 -4.035 36.016 1.00 1.38 H new ATOM 317 N PRO A 21 -5.610 -8.174 36.994 1.00 0.28 N ATOM 318 CA PRO A 21 -5.906 -9.066 38.143 1.00 0.30 C ATOM 319 C PRO A 21 -5.284 -8.499 39.421 1.00 0.28 C ATOM 320 O PRO A 21 -4.216 -7.925 39.398 1.00 0.27 O ATOM 321 CB PRO A 21 -5.259 -10.401 37.764 1.00 0.35 C ATOM 322 CG PRO A 21 -4.377 -10.113 36.586 1.00 0.35 C ATOM 323 CD PRO A 21 -4.897 -8.867 35.923 1.00 0.32 C ATOM 0 HA PRO A 21 -6.974 -9.169 38.337 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.681 -10.804 38.595 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.016 -11.144 37.512 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.344 -9.974 36.906 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.385 -10.950 35.888 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.086 -8.258 35.523 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.559 -9.104 35.090 1.00 0.32 H new ATOM 331 N ILE A 22 -5.951 -8.631 40.534 1.00 0.30 N ATOM 332 CA ILE A 22 -5.400 -8.066 41.801 1.00 0.30 C ATOM 333 C ILE A 22 -3.995 -8.606 42.057 1.00 0.32 C ATOM 334 O ILE A 22 -3.147 -7.921 42.592 1.00 0.32 O ATOM 335 CB ILE A 22 -6.363 -8.529 42.895 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.077 -7.761 44.187 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.173 -10.027 43.141 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.382 -6.278 43.981 1.00 1.11 C ATOM 0 H ILE A 22 -6.851 -9.104 40.623 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.317 -6.980 41.765 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.389 -8.339 42.579 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.685 -8.158 45.000 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -5.034 -7.891 44.476 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.859 -10.358 43.921 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.377 -10.576 42.221 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.147 -10.217 43.456 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.178 -5.733 44.903 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.755 -5.885 43.181 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.431 -6.156 43.713 1.00 1.11 H new ATOM 350 N GLU A 23 -3.730 -9.816 41.661 1.00 0.36 N ATOM 351 CA GLU A 23 -2.365 -10.374 41.867 1.00 0.40 C ATOM 352 C GLU A 23 -1.329 -9.484 41.174 1.00 0.37 C ATOM 353 O GLU A 23 -0.240 -9.272 41.670 1.00 0.39 O ATOM 354 CB GLU A 23 -2.402 -11.755 41.211 1.00 0.44 C ATOM 355 CG GLU A 23 -1.080 -12.481 41.472 1.00 1.22 C ATOM 356 CD GLU A 23 -0.975 -12.834 42.956 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.010 -12.947 43.592 1.00 2.01 O ATOM 358 OE2 GLU A 23 0.138 -12.985 43.432 1.00 2.37 O ATOM 0 H GLU A 23 -4.394 -10.442 41.206 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.092 -10.429 42.921 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.233 -12.336 41.610 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.569 -11.655 40.138 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -1.025 -13.386 40.867 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -0.242 -11.849 41.178 1.00 1.22 H new ATOM 365 N LEU A 24 -1.681 -8.931 40.047 1.00 0.34 N ATOM 366 CA LEU A 24 -0.742 -8.027 39.327 1.00 0.33 C ATOM 367 C LEU A 24 -0.805 -6.613 39.906 1.00 0.29 C ATOM 368 O LEU A 24 0.186 -5.918 39.959 1.00 0.29 O ATOM 369 CB LEU A 24 -1.211 -8.036 37.872 1.00 0.33 C ATOM 370 CG LEU A 24 -1.053 -9.443 37.292 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.383 -9.420 35.798 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.390 -9.914 37.487 1.00 1.75 C ATOM 0 H LEU A 24 -2.583 -9.067 39.592 1.00 0.34 H new ATOM 0 HA LEU A 24 0.293 -8.357 39.422 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.253 -7.722 37.813 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.630 -7.323 37.287 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.732 -10.125 37.803 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.270 -10.422 35.385 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.410 -9.083 35.657 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.704 -8.738 35.286 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.504 -10.916 37.074 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.068 -9.231 36.975 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.627 -9.930 38.551 1.00 1.75 H new ATOM 384 N ARG A 25 -1.934 -6.212 40.426 1.00 0.25 N ATOM 385 CA ARG A 25 -1.992 -4.877 41.086 1.00 0.23 C ATOM 386 C ARG A 25 -0.956 -4.827 42.207 1.00 0.25 C ATOM 387 O ARG A 25 -0.270 -3.841 42.390 1.00 0.25 O ATOM 388 CB ARG A 25 -3.401 -4.751 41.677 1.00 0.22 C ATOM 389 CG ARG A 25 -4.460 -4.796 40.573 1.00 0.21 C ATOM 390 CD ARG A 25 -5.824 -4.438 41.178 1.00 0.22 C ATOM 391 NE ARG A 25 -6.833 -4.970 40.226 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.063 -5.170 40.617 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.415 -4.898 41.845 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.944 -5.644 39.778 1.00 0.27 N ATOM 0 H ARG A 25 -2.806 -6.742 40.423 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.783 -4.069 40.385 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.576 -5.559 42.388 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.486 -3.816 42.230 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.205 -4.096 39.777 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.495 -5.789 40.125 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.944 -4.883 42.166 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.929 -3.360 41.299 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.564 -5.180 39.265 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.728 -4.528 42.502 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.377 -5.055 42.147 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.671 -5.858 38.819 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.905 -5.801 40.082 1.00 0.27 H new ATOM 408 N ARG A 26 -0.873 -5.869 42.985 1.00 0.29 N ATOM 409 CA ARG A 26 0.083 -5.867 44.131 1.00 0.33 C ATOM 410 C ARG A 26 1.525 -6.016 43.635 1.00 0.35 C ATOM 411 O ARG A 26 2.409 -5.285 44.036 1.00 0.35 O ATOM 412 CB ARG A 26 -0.315 -7.077 44.976 1.00 0.37 C ATOM 413 CG ARG A 26 -1.723 -6.868 45.537 1.00 1.07 C ATOM 414 CD ARG A 26 -2.091 -8.043 46.445 1.00 1.25 C ATOM 415 NE ARG A 26 -1.211 -7.897 47.638 1.00 1.85 N ATOM 416 CZ ARG A 26 -1.017 -8.911 48.438 1.00 2.32 C ATOM 417 NH1 ARG A 26 -1.594 -10.057 48.198 1.00 2.40 N ATOM 418 NH2 ARG A 26 -0.245 -8.777 49.482 1.00 3.26 N ATOM 0 H ARG A 26 -1.424 -6.721 42.879 1.00 0.29 H new ATOM 0 HA ARG A 26 0.041 -4.935 44.695 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.284 -7.983 44.370 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.396 -7.214 45.791 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -1.768 -5.934 46.097 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -2.442 -6.786 44.722 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -3.144 -8.011 46.725 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.923 -8.997 45.945 1.00 1.25 H new ATOM 0 HE ARG A 26 -0.759 -7.003 47.831 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -2.199 -10.163 47.383 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -1.440 -10.847 48.825 1.00 2.40 H new ATOM 0 HH21 ARG A 26 0.205 -7.882 49.672 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -0.092 -9.568 50.108 1.00 3.26 H new ATOM 432 N THR A 27 1.774 -6.974 42.785 1.00 0.37 N ATOM 433 CA THR A 27 3.165 -7.199 42.293 1.00 0.41 C ATOM 434 C THR A 27 3.667 -5.995 41.490 1.00 0.39 C ATOM 435 O THR A 27 4.851 -5.724 41.442 1.00 0.42 O ATOM 436 CB THR A 27 3.074 -8.437 41.398 1.00 0.44 C ATOM 437 OG1 THR A 27 2.514 -9.515 42.136 1.00 0.61 O ATOM 438 CG2 THR A 27 4.471 -8.820 40.910 1.00 0.77 C ATOM 0 H THR A 27 1.073 -7.613 42.409 1.00 0.37 H new ATOM 0 HA THR A 27 3.866 -7.334 43.116 1.00 0.41 H new ATOM 0 HB THR A 27 2.440 -8.218 40.539 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.539 -9.510 42.033 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.405 -9.702 40.273 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.897 -7.993 40.342 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.108 -9.039 41.767 1.00 0.77 H new ATOM 446 N LEU A 28 2.792 -5.302 40.819 1.00 0.35 N ATOM 447 CA LEU A 28 3.242 -4.160 39.973 1.00 0.34 C ATOM 448 C LEU A 28 3.310 -2.870 40.796 1.00 0.32 C ATOM 449 O LEU A 28 3.756 -1.845 40.318 1.00 0.33 O ATOM 450 CB LEU A 28 2.187 -4.046 38.871 1.00 0.32 C ATOM 451 CG LEU A 28 2.669 -3.066 37.801 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.815 -3.699 37.008 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.514 -2.739 36.852 1.00 1.05 C ATOM 0 H LEU A 28 1.787 -5.475 40.819 1.00 0.35 H new ATOM 0 HA LEU A 28 4.241 -4.319 39.567 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.003 -5.024 38.427 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.242 -3.704 39.292 1.00 0.32 H new ATOM 0 HG LEU A 28 3.019 -2.151 38.278 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.159 -3.001 36.245 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.638 -3.934 37.683 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.465 -4.614 36.531 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.857 -2.040 36.089 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.165 -3.655 36.375 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.697 -2.289 37.415 1.00 1.05 H new ATOM 465 N GLY A 29 2.894 -2.910 42.033 1.00 0.32 N ATOM 466 CA GLY A 29 2.959 -1.683 42.876 1.00 0.32 C ATOM 467 C GLY A 29 2.026 -0.616 42.304 1.00 0.29 C ATOM 468 O GLY A 29 2.387 0.538 42.186 1.00 0.29 O ATOM 0 H GLY A 29 2.513 -3.736 42.494 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.673 -1.919 43.901 1.00 0.32 H new ATOM 0 HA3 GLY A 29 3.981 -1.306 42.909 1.00 0.32 H new ATOM 472 N ILE A 30 0.842 -0.996 41.918 1.00 0.27 N ATOM 473 CA ILE A 30 -0.098 -0.004 41.317 1.00 0.24 C ATOM 474 C ILE A 30 -1.327 0.184 42.207 1.00 0.23 C ATOM 475 O ILE A 30 -1.850 -0.752 42.778 1.00 0.26 O ATOM 476 CB ILE A 30 -0.500 -0.592 39.967 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.752 -0.809 39.114 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.444 0.373 39.249 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.581 0.479 39.091 1.00 0.29 C ATOM 0 H ILE A 30 0.482 -1.948 41.991 1.00 0.27 H new ATOM 0 HA ILE A 30 0.365 0.977 41.211 1.00 0.24 H new ATOM 0 HB ILE A 30 -1.006 -1.545 40.122 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.345 -1.629 39.520 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.470 -1.091 38.100 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.730 -0.048 38.285 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.336 0.529 39.856 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.940 1.327 39.093 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.473 0.327 38.484 1.00 0.29 H new ATOM 0 HD12 ILE A 30 0.986 1.287 38.665 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.874 0.741 40.108 1.00 0.29 H new ATOM 491 N ALA A 31 -1.765 1.401 42.349 1.00 0.22 N ATOM 492 CA ALA A 31 -2.933 1.690 43.229 1.00 0.23 C ATOM 493 C ALA A 31 -3.809 2.773 42.595 1.00 0.20 C ATOM 494 O ALA A 31 -3.419 3.427 41.649 1.00 0.18 O ATOM 495 CB ALA A 31 -2.327 2.201 44.534 1.00 0.23 C ATOM 0 H ALA A 31 -1.361 2.217 41.889 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.561 0.813 43.384 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.125 2.437 45.238 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.682 1.433 44.961 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.741 3.098 44.336 1.00 0.23 H new ATOM 501 N GLU A 32 -4.995 2.962 43.099 1.00 0.22 N ATOM 502 CA GLU A 32 -5.896 3.995 42.512 1.00 0.21 C ATOM 503 C GLU A 32 -5.188 5.354 42.449 1.00 0.19 C ATOM 504 O GLU A 32 -4.430 5.710 43.327 1.00 0.20 O ATOM 505 CB GLU A 32 -7.090 4.061 43.464 1.00 0.25 C ATOM 506 CG GLU A 32 -8.152 4.999 42.886 1.00 0.27 C ATOM 507 CD GLU A 32 -9.297 5.153 43.887 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.208 4.569 44.954 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.245 5.854 43.570 1.00 1.13 O ATOM 0 H GLU A 32 -5.381 2.448 43.891 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.193 3.748 41.493 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.509 3.065 43.609 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.769 4.417 44.443 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.713 5.972 42.668 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.530 4.601 41.944 1.00 0.27 H new ATOM 516 N LYS A 33 -5.483 6.130 41.437 1.00 0.19 N ATOM 517 CA LYS A 33 -4.900 7.505 41.315 1.00 0.20 C ATOM 518 C LYS A 33 -3.430 7.445 40.884 1.00 0.18 C ATOM 519 O LYS A 33 -2.837 8.454 40.555 1.00 0.21 O ATOM 520 CB LYS A 33 -5.024 8.135 42.707 1.00 0.23 C ATOM 521 CG LYS A 33 -4.878 9.654 42.592 1.00 0.29 C ATOM 522 CD LYS A 33 -4.937 10.280 43.987 1.00 0.87 C ATOM 523 CE LYS A 33 -4.955 11.805 43.862 1.00 1.35 C ATOM 524 NZ LYS A 33 -4.271 12.299 45.089 1.00 1.88 N ATOM 0 H LYS A 33 -6.112 5.867 40.678 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.423 8.089 40.557 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.989 7.884 43.147 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.257 7.734 43.369 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.933 9.904 42.110 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.673 10.060 41.966 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.828 9.937 44.514 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.076 9.963 44.576 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.436 12.134 42.961 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.975 12.184 43.799 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -4.244 13.339 45.077 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -4.791 11.976 45.930 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -3.300 11.928 45.119 1.00 1.88 H new ATOM 538 N ASP A 34 -2.866 6.273 40.774 1.00 0.16 N ATOM 539 CA ASP A 34 -1.477 6.171 40.239 1.00 0.16 C ATOM 540 C ASP A 34 -1.488 6.335 38.719 1.00 0.19 C ATOM 541 O ASP A 34 -2.531 6.325 38.096 1.00 0.20 O ATOM 542 CB ASP A 34 -0.995 4.777 40.630 1.00 0.17 C ATOM 543 CG ASP A 34 -0.702 4.748 42.130 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.748 5.801 42.745 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.435 3.673 42.635 1.00 1.08 O ATOM 0 H ASP A 34 -3.303 5.387 41.029 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.823 6.947 40.638 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.753 4.034 40.381 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.098 4.518 40.067 1.00 0.17 H new ATOM 550 N ALA A 35 -0.348 6.560 38.125 1.00 0.22 N ATOM 551 CA ALA A 35 -0.315 6.814 36.656 1.00 0.28 C ATOM 552 C ALA A 35 0.242 5.599 35.908 1.00 0.20 C ATOM 553 O ALA A 35 1.299 5.091 36.224 1.00 0.16 O ATOM 554 CB ALA A 35 0.611 8.019 36.487 1.00 0.36 C ATOM 0 H ALA A 35 0.559 6.579 38.591 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.310 6.998 36.250 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.690 8.272 35.430 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.205 8.870 37.034 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.600 7.776 36.876 1.00 0.36 H new ATOM 560 N LEU A 36 -0.424 5.188 34.862 1.00 0.24 N ATOM 561 CA LEU A 36 0.101 4.072 34.022 1.00 0.21 C ATOM 562 C LEU A 36 0.575 4.625 32.677 1.00 0.20 C ATOM 563 O LEU A 36 -0.097 5.433 32.071 1.00 0.23 O ATOM 564 CB LEU A 36 -1.093 3.144 33.802 1.00 0.34 C ATOM 565 CG LEU A 36 -1.786 2.855 35.132 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.197 2.335 34.855 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.994 1.795 35.901 1.00 0.56 C ATOM 0 H LEU A 36 -1.313 5.579 34.552 1.00 0.24 H new ATOM 0 HA LEU A 36 0.941 3.560 34.492 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.797 3.603 33.108 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.760 2.211 33.347 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.838 3.767 35.726 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.700 2.126 35.799 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.760 3.087 34.303 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.138 1.420 34.265 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.489 1.589 36.850 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.944 0.880 35.312 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.015 2.161 36.090 1.00 0.56 H new ATOM 579 N GLU A 37 1.642 4.105 32.139 1.00 0.19 N ATOM 580 CA GLU A 37 2.040 4.517 30.764 1.00 0.21 C ATOM 581 C GLU A 37 1.769 3.375 29.782 1.00 0.19 C ATOM 582 O GLU A 37 1.876 2.214 30.123 1.00 0.20 O ATOM 583 CB GLU A 37 3.535 4.826 30.846 1.00 0.25 C ATOM 584 CG GLU A 37 4.017 5.380 29.504 1.00 0.26 C ATOM 585 CD GLU A 37 5.526 5.619 29.563 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.105 5.371 30.608 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.078 6.045 28.562 1.00 1.17 O ATOM 0 H GLU A 37 2.251 3.419 32.586 1.00 0.19 H new ATOM 0 HA GLU A 37 1.478 5.382 30.411 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.724 5.549 31.639 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.090 3.923 31.099 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.780 4.679 28.703 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.499 6.312 29.276 1.00 0.26 H new ATOM 594 N ILE A 38 1.283 3.698 28.618 1.00 0.21 N ATOM 595 CA ILE A 38 0.842 2.639 27.669 1.00 0.20 C ATOM 596 C ILE A 38 1.754 2.600 26.441 1.00 0.20 C ATOM 597 O ILE A 38 2.122 3.623 25.891 1.00 0.24 O ATOM 598 CB ILE A 38 -0.578 3.036 27.266 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.450 3.145 28.519 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.162 1.974 26.331 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.836 3.666 28.134 1.00 0.84 C ATOM 0 H ILE A 38 1.171 4.654 28.281 1.00 0.21 H new ATOM 0 HA ILE A 38 0.881 1.647 28.119 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.554 3.997 26.752 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.537 2.171 29.000 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -0.985 3.817 29.241 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.174 2.259 26.045 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.541 1.894 25.439 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.187 1.012 26.843 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.457 3.743 29.027 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.740 4.649 27.673 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.300 2.977 27.428 1.00 0.84 H new ATOM 613 N TYR A 39 2.112 1.418 26.021 1.00 0.19 N ATOM 614 CA TYR A 39 3.004 1.253 24.839 1.00 0.21 C ATOM 615 C TYR A 39 2.242 0.572 23.700 1.00 0.20 C ATOM 616 O TYR A 39 1.337 -0.203 23.933 1.00 0.20 O ATOM 617 CB TYR A 39 4.111 0.323 25.325 1.00 0.24 C ATOM 618 CG TYR A 39 5.118 1.077 26.151 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.747 1.658 27.369 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.433 1.172 25.700 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.699 2.342 28.136 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.386 1.854 26.461 1.00 0.36 C ATOM 623 CZ TYR A 39 7.021 2.440 27.680 1.00 0.39 C ATOM 624 OH TYR A 39 7.964 3.115 28.428 1.00 0.45 O ATOM 0 H TYR A 39 1.818 0.543 26.456 1.00 0.19 H new ATOM 0 HA TYR A 39 3.379 2.207 24.468 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.680 -0.485 25.917 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.607 -0.138 24.470 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.728 1.579 27.717 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.716 0.718 24.762 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.415 2.792 29.076 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.404 1.929 26.109 1.00 0.36 H new ATOM 0 HH TYR A 39 8.439 3.754 27.856 1.00 0.45 H new ATOM 634 N VAL A 40 2.698 0.726 22.489 1.00 0.21 N ATOM 635 CA VAL A 40 2.094 -0.061 21.374 1.00 0.22 C ATOM 636 C VAL A 40 3.182 -0.738 20.537 1.00 0.22 C ATOM 637 O VAL A 40 4.033 -0.088 19.963 1.00 0.23 O ATOM 638 CB VAL A 40 1.330 0.960 20.534 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.774 0.276 19.284 1.00 0.27 C ATOM 640 CG2 VAL A 40 0.173 1.528 21.360 1.00 0.27 C ATOM 0 H VAL A 40 3.455 1.356 22.222 1.00 0.21 H new ATOM 0 HA VAL A 40 1.445 -0.856 21.743 1.00 0.22 H new ATOM 0 HB VAL A 40 2.001 1.767 20.239 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.228 1.004 18.683 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.596 -0.135 18.698 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.101 -0.529 19.579 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.376 2.258 20.764 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.498 0.719 21.651 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.567 2.012 22.254 1.00 0.27 H new ATOM 650 N ASP A 41 3.134 -2.038 20.429 1.00 0.21 N ATOM 651 CA ASP A 41 4.132 -2.758 19.587 1.00 0.22 C ATOM 652 C ASP A 41 3.493 -3.998 18.952 1.00 0.25 C ATOM 653 O ASP A 41 2.790 -4.741 19.602 1.00 0.27 O ATOM 654 CB ASP A 41 5.246 -3.165 20.551 1.00 0.20 C ATOM 655 CG ASP A 41 4.765 -4.317 21.434 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.589 -4.338 21.758 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.582 -5.158 21.772 1.00 1.77 O ATOM 0 H ASP A 41 2.445 -2.634 20.888 1.00 0.21 H new ATOM 0 HA ASP A 41 4.505 -2.139 18.771 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.132 -3.467 19.992 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.534 -2.315 21.170 1.00 0.20 H new ATOM 662 N ASP A 42 3.811 -4.281 17.720 1.00 0.27 N ATOM 663 CA ASP A 42 3.308 -5.534 17.084 1.00 0.33 C ATOM 664 C ASP A 42 1.825 -5.763 17.408 1.00 0.33 C ATOM 665 O ASP A 42 1.417 -6.858 17.739 1.00 0.37 O ATOM 666 CB ASP A 42 4.167 -6.643 17.688 1.00 0.38 C ATOM 667 CG ASP A 42 3.696 -8.000 17.163 1.00 0.45 C ATOM 668 OD1 ASP A 42 2.843 -8.012 16.290 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.197 -9.005 17.640 1.00 1.14 O ATOM 0 H ASP A 42 4.399 -3.699 17.123 1.00 0.27 H new ATOM 0 HA ASP A 42 3.378 -5.496 15.997 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.215 -6.486 17.431 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.098 -6.619 18.776 1.00 0.38 H new ATOM 674 N GLU A 43 1.006 -4.758 17.244 1.00 0.30 N ATOM 675 CA GLU A 43 -0.463 -4.938 17.458 1.00 0.31 C ATOM 676 C GLU A 43 -0.746 -5.420 18.883 1.00 0.30 C ATOM 677 O GLU A 43 -1.852 -5.799 19.212 1.00 0.31 O ATOM 678 CB GLU A 43 -0.890 -5.996 16.438 1.00 0.35 C ATOM 679 CG GLU A 43 -0.615 -5.482 15.023 1.00 1.17 C ATOM 680 CD GLU A 43 -1.111 -6.507 14.002 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.470 -7.598 14.414 1.00 1.93 O ATOM 682 OE2 GLU A 43 -1.124 -6.184 12.826 1.00 1.68 O ATOM 0 H GLU A 43 1.290 -3.817 16.970 1.00 0.30 H new ATOM 0 HA GLU A 43 -1.010 -4.004 17.330 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.345 -6.924 16.611 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -1.950 -6.222 16.555 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -1.116 -4.527 14.868 1.00 1.17 H new ATOM 0 HG3 GLU A 43 0.453 -5.307 14.889 1.00 1.17 H new ATOM 689 N LYS A 44 0.222 -5.331 19.748 1.00 0.29 N ATOM 690 CA LYS A 44 -0.013 -5.697 21.175 1.00 0.30 C ATOM 691 C LYS A 44 0.190 -4.473 22.070 1.00 0.27 C ATOM 692 O LYS A 44 0.996 -3.613 21.785 1.00 0.26 O ATOM 693 CB LYS A 44 1.033 -6.765 21.496 1.00 0.34 C ATOM 694 CG LYS A 44 0.721 -8.043 20.716 1.00 1.29 C ATOM 695 CD LYS A 44 1.688 -9.148 21.149 1.00 1.23 C ATOM 696 CE LYS A 44 1.395 -10.424 20.357 1.00 1.90 C ATOM 697 NZ LYS A 44 2.524 -10.546 19.394 1.00 2.01 N ATOM 0 H LYS A 44 1.169 -5.020 19.531 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.028 -6.058 21.343 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.028 -6.403 21.237 1.00 0.34 H new ATOM 0 HB3 LYS A 44 1.038 -6.973 22.566 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.308 -8.352 20.899 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.814 -7.861 19.645 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.717 -8.831 20.981 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.584 -9.339 22.217 1.00 1.23 H new ATOM 0 HE2 LYS A 44 1.340 -11.292 21.013 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.439 -10.356 19.838 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.252 -11.184 18.619 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 2.753 -9.608 19.007 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.357 -10.931 19.883 1.00 2.01 H new ATOM 711 N ILE A 45 -0.546 -4.380 23.141 1.00 0.28 N ATOM 712 CA ILE A 45 -0.400 -3.201 24.041 1.00 0.27 C ATOM 713 C ILE A 45 0.467 -3.566 25.250 1.00 0.27 C ATOM 714 O ILE A 45 0.191 -4.518 25.952 1.00 0.29 O ATOM 715 CB ILE A 45 -1.824 -2.877 24.487 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.707 -2.673 23.256 1.00 0.34 C ATOM 717 CG2 ILE A 45 -1.817 -1.598 25.326 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.176 -2.666 23.680 1.00 1.25 C ATOM 0 H ILE A 45 -1.241 -5.067 23.433 1.00 0.28 H new ATOM 0 HA ILE A 45 0.080 -2.356 23.547 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.215 -3.701 25.084 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.454 -1.733 22.765 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.530 -3.468 22.532 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -2.833 -1.366 25.645 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.186 -1.742 26.203 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.427 -0.773 24.729 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -4.807 -2.521 22.803 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.423 -3.617 24.151 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.346 -1.855 24.388 1.00 1.25 H new ATOM 730 N ILE A 46 1.479 -2.791 25.525 1.00 0.26 N ATOM 731 CA ILE A 46 2.327 -3.062 26.724 1.00 0.29 C ATOM 732 C ILE A 46 2.130 -1.963 27.770 1.00 0.29 C ATOM 733 O ILE A 46 2.394 -0.806 27.527 1.00 0.31 O ATOM 734 CB ILE A 46 3.765 -3.061 26.197 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.993 -4.318 25.357 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.751 -3.037 27.368 1.00 0.37 C ATOM 737 CD1 ILE A 46 5.075 -4.039 24.317 1.00 0.50 C ATOM 0 H ILE A 46 1.757 -1.980 24.972 1.00 0.26 H new ATOM 0 HA ILE A 46 2.073 -4.005 27.209 1.00 0.29 H new ATOM 0 HB ILE A 46 3.925 -2.175 25.583 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.293 -5.148 25.997 1.00 0.44 H new ATOM 0 HG13 ILE A 46 3.067 -4.614 24.865 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.771 -3.036 26.985 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.587 -2.139 27.964 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.598 -3.918 27.991 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.241 -4.933 23.716 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.756 -3.221 23.671 1.00 0.50 H new ATOM 0 HD13 ILE A 46 6.002 -3.764 24.821 1.00 0.50 H new ATOM 749 N LEU A 47 1.656 -2.315 28.932 1.00 0.28 N ATOM 750 CA LEU A 47 1.434 -1.286 29.987 1.00 0.29 C ATOM 751 C LEU A 47 2.478 -1.435 31.094 1.00 0.31 C ATOM 752 O LEU A 47 2.767 -2.526 31.543 1.00 0.39 O ATOM 753 CB LEU A 47 0.038 -1.566 30.537 1.00 0.34 C ATOM 754 CG LEU A 47 -0.985 -1.513 29.401 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.941 -2.821 28.608 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.386 -1.322 29.988 1.00 1.24 C ATOM 0 H LEU A 47 1.413 -3.269 29.197 1.00 0.28 H new ATOM 0 HA LEU A 47 1.520 -0.273 29.594 1.00 0.29 H new ATOM 0 HB2 LEU A 47 0.015 -2.546 31.015 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.216 -0.832 31.302 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.748 -0.680 28.739 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.671 -2.781 27.799 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.056 -2.960 28.190 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.177 -3.655 29.269 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.117 -1.284 29.180 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.620 -2.156 30.650 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.420 -0.390 30.552 1.00 1.24 H new ATOM 768 N LYS A 48 3.025 -0.345 31.550 1.00 0.29 N ATOM 769 CA LYS A 48 4.032 -0.412 32.647 1.00 0.35 C ATOM 770 C LYS A 48 3.794 0.717 33.652 1.00 0.28 C ATOM 771 O LYS A 48 3.171 1.711 33.341 1.00 0.25 O ATOM 772 CB LYS A 48 5.388 -0.229 31.962 1.00 0.47 C ATOM 773 CG LYS A 48 5.520 1.211 31.459 1.00 0.65 C ATOM 774 CD LYS A 48 6.891 1.401 30.809 1.00 0.85 C ATOM 775 CE LYS A 48 7.297 2.874 30.903 1.00 1.54 C ATOM 776 NZ LYS A 48 8.773 2.879 30.703 1.00 1.74 N ATOM 0 H LYS A 48 2.818 0.594 31.210 1.00 0.29 H new ATOM 0 HA LYS A 48 3.975 -1.352 33.196 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.193 -0.456 32.661 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.483 -0.926 31.129 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.731 1.430 30.739 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.399 1.909 32.287 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.632 0.775 31.307 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.858 1.087 29.766 1.00 0.85 H new ATOM 0 HE2 LYS A 48 6.793 3.472 30.143 1.00 1.54 H new ATOM 0 HE3 LYS A 48 7.028 3.297 31.871 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 9.183 3.714 31.168 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 9.182 2.017 31.116 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.985 2.910 29.685 1.00 1.74 H new ATOM 790 N LYS A 49 4.339 0.605 34.833 1.00 0.28 N ATOM 791 CA LYS A 49 4.198 1.714 35.818 1.00 0.25 C ATOM 792 C LYS A 49 4.784 3.002 35.241 1.00 0.22 C ATOM 793 O LYS A 49 5.700 2.975 34.443 1.00 0.24 O ATOM 794 CB LYS A 49 4.993 1.268 37.043 1.00 0.29 C ATOM 795 CG LYS A 49 4.834 2.300 38.161 1.00 0.30 C ATOM 796 CD LYS A 49 5.679 1.883 39.366 1.00 0.54 C ATOM 797 CE LYS A 49 5.395 2.824 40.539 1.00 1.08 C ATOM 798 NZ LYS A 49 6.735 3.144 41.107 1.00 1.65 N ATOM 0 H LYS A 49 4.873 -0.202 35.157 1.00 0.28 H new ATOM 0 HA LYS A 49 3.156 1.916 36.065 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.642 0.293 37.382 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.046 1.156 36.785 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.145 3.284 37.809 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.786 2.381 38.449 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.449 0.855 39.647 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.738 1.914 39.109 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.881 3.726 40.206 1.00 1.08 H new ATOM 0 HE3 LYS A 49 4.755 2.348 41.281 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.624 3.786 41.917 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.197 2.267 41.421 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.320 3.602 40.379 1.00 1.65 H new ATOM 812 N TYR A 50 4.214 4.121 35.578 1.00 0.20 N ATOM 813 CA TYR A 50 4.686 5.402 34.978 1.00 0.21 C ATOM 814 C TYR A 50 5.489 6.213 35.996 1.00 0.22 C ATOM 815 O TYR A 50 4.954 6.714 36.966 1.00 0.22 O ATOM 816 CB TYR A 50 3.409 6.147 34.592 1.00 0.20 C ATOM 817 CG TYR A 50 3.768 7.456 33.929 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.899 7.539 33.109 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.972 8.587 34.140 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.232 8.754 32.499 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.305 9.801 33.532 1.00 0.28 C ATOM 822 CZ TYR A 50 4.435 9.886 32.711 1.00 0.30 C ATOM 823 OH TYR A 50 4.764 11.084 32.110 1.00 0.35 O ATOM 0 H TYR A 50 3.444 4.208 36.241 1.00 0.20 H new ATOM 0 HA TYR A 50 5.343 5.236 34.124 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.810 5.537 33.916 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.801 6.331 35.478 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.514 6.666 32.947 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.099 8.522 34.773 1.00 0.24 H new ATOM 0 HE1 TYR A 50 6.104 8.819 31.865 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.690 10.673 33.696 1.00 0.28 H new ATOM 0 HH TYR A 50 4.107 11.767 32.360 1.00 0.35 H new ATOM 833 N LYS A 51 6.731 6.476 35.694 1.00 0.25 N ATOM 834 CA LYS A 51 7.520 7.414 36.540 1.00 0.29 C ATOM 835 C LYS A 51 7.556 8.791 35.871 1.00 0.32 C ATOM 836 O LYS A 51 7.961 8.913 34.732 1.00 0.35 O ATOM 837 CB LYS A 51 8.923 6.809 36.605 1.00 0.33 C ATOM 838 CG LYS A 51 9.086 6.037 37.916 1.00 1.43 C ATOM 839 CD LYS A 51 10.549 5.627 38.090 1.00 1.91 C ATOM 840 CE LYS A 51 11.250 6.617 39.024 1.00 2.76 C ATOM 841 NZ LYS A 51 12.213 7.349 38.156 1.00 3.21 N ATOM 0 H LYS A 51 7.233 6.082 34.898 1.00 0.25 H new ATOM 0 HA LYS A 51 7.095 7.545 37.535 1.00 0.29 H new ATOM 0 HB2 LYS A 51 9.083 6.144 35.757 1.00 0.33 H new ATOM 0 HB3 LYS A 51 9.674 7.597 36.539 1.00 0.33 H new ATOM 0 HG2 LYS A 51 8.768 6.655 38.756 1.00 1.43 H new ATOM 0 HG3 LYS A 51 8.448 5.153 37.911 1.00 1.43 H new ATOM 0 HD2 LYS A 51 10.609 4.619 38.500 1.00 1.91 H new ATOM 0 HD3 LYS A 51 11.050 5.607 37.122 1.00 1.91 H new ATOM 0 HE2 LYS A 51 10.535 7.300 39.484 1.00 2.76 H new ATOM 0 HE3 LYS A 51 11.763 6.099 39.834 1.00 2.76 H new ATOM 0 HZ1 LYS A 51 12.733 8.047 38.726 1.00 3.21 H new ATOM 0 HZ2 LYS A 51 12.885 6.675 37.737 1.00 3.21 H new ATOM 0 HZ3 LYS A 51 11.695 7.837 37.398 1.00 3.21 H new ATOM 855 N PRO A 52 7.100 9.780 36.587 1.00 0.33 N ATOM 856 CA PRO A 52 7.050 11.153 36.029 1.00 0.39 C ATOM 857 C PRO A 52 8.464 11.650 35.713 1.00 0.46 C ATOM 858 O PRO A 52 9.412 11.337 36.406 1.00 0.48 O ATOM 859 CB PRO A 52 6.414 11.988 37.141 1.00 0.41 C ATOM 860 CG PRO A 52 6.526 11.160 38.385 1.00 0.40 C ATOM 861 CD PRO A 52 6.597 9.718 37.960 1.00 0.33 C ATOM 0 HA PRO A 52 6.488 11.211 35.097 1.00 0.39 H new ATOM 0 HB2 PRO A 52 6.929 12.942 37.258 1.00 0.41 H new ATOM 0 HB3 PRO A 52 5.372 12.214 36.914 1.00 0.41 H new ATOM 0 HG2 PRO A 52 7.415 11.437 38.952 1.00 0.40 H new ATOM 0 HG3 PRO A 52 5.668 11.327 39.036 1.00 0.40 H new ATOM 0 HD2 PRO A 52 7.263 9.144 38.604 1.00 0.33 H new ATOM 0 HD3 PRO A 52 5.619 9.239 38.006 1.00 0.33 H new ATOM 869 N ASN A 53 8.613 12.419 34.669 1.00 0.61 N ATOM 870 CA ASN A 53 9.966 12.932 34.309 1.00 0.71 C ATOM 871 C ASN A 53 9.998 14.459 34.410 1.00 1.19 C ATOM 872 O ASN A 53 10.439 15.087 33.462 1.00 1.61 O ATOM 873 CB ASN A 53 10.186 12.486 32.863 1.00 1.36 C ATOM 874 CG ASN A 53 10.216 10.958 32.798 1.00 1.76 C ATOM 875 OD1 ASN A 53 10.403 10.299 33.802 1.00 2.14 O ATOM 876 ND2 ASN A 53 10.039 10.361 31.651 1.00 2.41 N ATOM 877 OXT ASN A 53 9.579 14.974 35.434 1.00 1.98 O ATOM 0 H ASN A 53 7.858 12.714 34.050 1.00 0.61 H new ATOM 0 HA ASN A 53 10.741 12.554 34.975 1.00 0.71 H new ATOM 0 HB2 ASN A 53 9.389 12.872 32.227 1.00 1.36 H new ATOM 0 HB3 ASN A 53 11.123 12.895 32.484 1.00 1.36 H new ATOM 0 HD21 ASN A 53 10.058 9.343 31.598 1.00 2.41 H new ATOM 0 HD22 ASN A 53 9.882 10.913 30.808 1.00 2.41 H new TER 884 ASN A 53 ATOM 885 N PHE B 2 14.606 0.527 18.113 1.00 9.08 N ATOM 886 CA PHE B 2 13.904 0.050 16.887 1.00 8.67 C ATOM 887 C PHE B 2 12.393 -0.011 17.133 1.00 7.72 C ATOM 888 O PHE B 2 11.601 0.271 16.256 1.00 7.64 O ATOM 889 CB PHE B 2 14.463 -1.349 16.630 1.00 9.22 C ATOM 890 CG PHE B 2 15.923 -1.247 16.259 1.00 10.46 C ATOM 891 CD1 PHE B 2 16.293 -0.992 14.933 1.00 10.89 C ATOM 892 CD2 PHE B 2 16.908 -1.407 17.242 1.00 10.87 C ATOM 893 CE1 PHE B 2 17.646 -0.897 14.589 1.00 11.66 C ATOM 894 CE2 PHE B 2 18.262 -1.312 16.898 1.00 11.64 C ATOM 895 CZ PHE B 2 18.631 -1.057 15.572 1.00 11.60 C ATOM 0 HA PHE B 2 14.060 0.713 16.036 1.00 8.67 H new ATOM 0 HB2 PHE B 2 14.345 -1.968 17.519 1.00 9.22 H new ATOM 0 HB3 PHE B 2 13.906 -1.833 15.828 1.00 9.22 H new ATOM 0 HD1 PHE B 2 15.534 -0.869 14.175 1.00 10.89 H new ATOM 0 HD2 PHE B 2 16.623 -1.604 18.265 1.00 10.87 H new ATOM 0 HE1 PHE B 2 17.931 -0.700 13.566 1.00 11.66 H new ATOM 0 HE2 PHE B 2 19.022 -1.435 17.656 1.00 11.64 H new ATOM 0 HZ PHE B 2 19.675 -0.984 15.307 1.00 11.60 H new ATOM 905 N MET B 3 11.989 -0.370 18.320 1.00 7.25 N ATOM 906 CA MET B 3 10.530 -0.439 18.621 1.00 6.59 C ATOM 907 C MET B 3 10.033 0.913 19.138 1.00 5.73 C ATOM 908 O MET B 3 10.576 1.470 20.071 1.00 5.45 O ATOM 909 CB MET B 3 10.399 -1.509 19.706 1.00 6.98 C ATOM 910 CG MET B 3 8.919 -1.797 19.964 1.00 7.76 C ATOM 911 SD MET B 3 8.760 -2.905 21.387 1.00 8.62 S ATOM 912 CE MET B 3 9.608 -4.329 20.662 1.00 8.70 C ATOM 0 H MET B 3 12.605 -0.618 19.094 1.00 7.25 H new ATOM 0 HA MET B 3 9.937 -0.679 17.738 1.00 6.59 H new ATOM 0 HB2 MET B 3 10.909 -2.421 19.395 1.00 6.98 H new ATOM 0 HB3 MET B 3 10.880 -1.172 20.624 1.00 6.98 H new ATOM 0 HG2 MET B 3 8.384 -0.866 20.152 1.00 7.76 H new ATOM 0 HG3 MET B 3 8.467 -2.252 19.083 1.00 7.76 H new ATOM 0 HE1 MET B 3 9.276 -5.241 21.157 1.00 8.70 H new ATOM 0 HE2 MET B 3 9.376 -4.388 19.599 1.00 8.70 H new ATOM 0 HE3 MET B 3 10.684 -4.217 20.792 1.00 8.70 H new ATOM 922 N LYS B 4 9.014 1.455 18.527 1.00 5.69 N ATOM 923 CA LYS B 4 8.497 2.780 18.973 1.00 5.34 C ATOM 924 C LYS B 4 7.261 2.599 19.859 1.00 4.61 C ATOM 925 O LYS B 4 6.441 1.732 19.628 1.00 4.72 O ATOM 926 CB LYS B 4 8.129 3.516 17.684 1.00 6.20 C ATOM 927 CG LYS B 4 9.391 3.753 16.853 1.00 6.74 C ATOM 928 CD LYS B 4 9.042 4.593 15.622 1.00 7.81 C ATOM 929 CE LYS B 4 10.277 4.727 14.728 1.00 8.51 C ATOM 930 NZ LYS B 4 9.814 4.323 13.371 1.00 9.17 N ATOM 0 H LYS B 4 8.518 1.038 17.739 1.00 5.69 H new ATOM 0 HA LYS B 4 9.230 3.330 19.563 1.00 5.34 H new ATOM 0 HB2 LYS B 4 7.409 2.931 17.112 1.00 6.20 H new ATOM 0 HB3 LYS B 4 7.652 4.467 17.920 1.00 6.20 H new ATOM 0 HG2 LYS B 4 10.144 4.264 17.453 1.00 6.74 H new ATOM 0 HG3 LYS B 4 9.821 2.800 16.546 1.00 6.74 H new ATOM 0 HD2 LYS B 4 8.228 4.125 15.068 1.00 7.81 H new ATOM 0 HD3 LYS B 4 8.693 5.579 15.929 1.00 7.81 H new ATOM 0 HE2 LYS B 4 10.656 5.749 14.728 1.00 8.51 H new ATOM 0 HE3 LYS B 4 11.088 4.087 15.076 1.00 8.51 H new ATOM 0 HZ1 LYS B 4 10.606 4.389 12.700 1.00 9.17 H new ATOM 0 HZ2 LYS B 4 9.465 3.344 13.400 1.00 9.17 H new ATOM 0 HZ3 LYS B 4 9.047 4.954 13.064 1.00 9.17 H new ATOM 944 N SER B 5 7.106 3.431 20.852 1.00 4.27 N ATOM 945 CA SER B 5 5.906 3.332 21.731 1.00 3.86 C ATOM 946 C SER B 5 5.101 4.632 21.665 1.00 2.80 C ATOM 947 O SER B 5 5.651 5.705 21.514 1.00 3.02 O ATOM 948 CB SER B 5 6.462 3.115 23.138 1.00 4.70 C ATOM 949 OG SER B 5 5.386 2.874 24.035 1.00 5.20 O ATOM 0 H SER B 5 7.759 4.176 21.093 1.00 4.27 H new ATOM 0 HA SER B 5 5.236 2.526 21.431 1.00 3.86 H new ATOM 0 HB2 SER B 5 7.151 2.271 23.143 1.00 4.70 H new ATOM 0 HB3 SER B 5 7.028 3.990 23.457 1.00 4.70 H new ATOM 0 HG SER B 5 5.730 2.462 24.855 1.00 5.20 H new ATOM 955 N THR B 6 3.802 4.546 21.751 1.00 2.20 N ATOM 956 CA THR B 6 2.970 5.780 21.664 1.00 1.59 C ATOM 957 C THR B 6 3.297 6.720 22.827 1.00 1.19 C ATOM 958 O THR B 6 3.309 7.926 22.678 1.00 1.95 O ATOM 959 CB THR B 6 1.523 5.295 21.755 1.00 2.29 C ATOM 960 OG1 THR B 6 1.319 4.650 23.005 1.00 2.98 O ATOM 961 CG2 THR B 6 1.238 4.314 20.617 1.00 2.91 C ATOM 0 H THR B 6 3.282 3.678 21.877 1.00 2.20 H new ATOM 0 HA THR B 6 3.153 6.336 20.745 1.00 1.59 H new ATOM 0 HB THR B 6 0.848 6.147 21.672 1.00 2.29 H new ATOM 0 HG1 THR B 6 0.391 4.340 23.066 1.00 2.98 H new ATOM 0 HG21 THR B 6 0.206 3.969 20.684 1.00 2.91 H new ATOM 0 HG22 THR B 6 1.393 4.812 19.660 1.00 2.91 H new ATOM 0 HG23 THR B 6 1.911 3.460 20.695 1.00 2.91 H new ATOM 969 N GLY B 7 3.607 6.178 23.973 1.00 0.83 N ATOM 970 CA GLY B 7 3.985 7.043 25.126 1.00 0.45 C ATOM 971 C GLY B 7 2.749 7.784 25.640 1.00 0.43 C ATOM 972 O GLY B 7 2.786 8.973 25.886 1.00 0.49 O ATOM 0 H GLY B 7 3.615 5.175 24.160 1.00 0.83 H new ATOM 0 HA2 GLY B 7 4.415 6.436 25.923 1.00 0.45 H new ATOM 0 HA3 GLY B 7 4.749 7.758 24.822 1.00 0.45 H new ATOM 976 N ILE B 8 1.656 7.092 25.817 1.00 0.37 N ATOM 977 CA ILE B 8 0.426 7.769 26.329 1.00 0.37 C ATOM 978 C ILE B 8 0.062 7.218 27.707 1.00 0.32 C ATOM 979 O ILE B 8 0.148 6.036 27.948 1.00 0.30 O ATOM 980 CB ILE B 8 -0.667 7.436 25.316 1.00 0.40 C ATOM 981 CG1 ILE B 8 -0.206 7.846 23.915 1.00 0.45 C ATOM 982 CG2 ILE B 8 -1.942 8.201 25.674 1.00 0.43 C ATOM 983 CD1 ILE B 8 -1.247 7.402 22.886 1.00 1.36 C ATOM 0 H ILE B 8 1.560 6.094 25.631 1.00 0.37 H new ATOM 0 HA ILE B 8 0.563 8.845 26.438 1.00 0.37 H new ATOM 0 HB ILE B 8 -0.866 6.365 25.335 1.00 0.40 H new ATOM 0 HG12 ILE B 8 -0.069 8.926 23.867 1.00 0.45 H new ATOM 0 HG13 ILE B 8 0.759 7.392 23.691 1.00 0.45 H new ATOM 0 HG21 ILE B 8 -2.723 7.964 24.952 1.00 0.43 H new ATOM 0 HG22 ILE B 8 -2.271 7.913 26.672 1.00 0.43 H new ATOM 0 HG23 ILE B 8 -1.741 9.272 25.654 1.00 0.43 H new ATOM 0 HD11 ILE B 8 -0.920 7.694 21.888 1.00 1.36 H new ATOM 0 HD12 ILE B 8 -1.361 6.319 22.928 1.00 1.36 H new ATOM 0 HD13 ILE B 8 -2.203 7.877 23.107 1.00 1.36 H new ATOM 995 N VAL B 9 -0.253 8.071 28.641 1.00 0.32 N ATOM 996 CA VAL B 9 -0.509 7.586 30.028 1.00 0.29 C ATOM 997 C VAL B 9 -1.957 7.862 30.446 1.00 0.32 C ATOM 998 O VAL B 9 -2.523 8.890 30.132 1.00 0.37 O ATOM 999 CB VAL B 9 0.464 8.366 30.911 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.248 7.979 32.375 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.902 8.027 30.507 1.00 0.30 C ATOM 0 H VAL B 9 -0.344 9.078 28.507 1.00 0.32 H new ATOM 0 HA VAL B 9 -0.364 6.509 30.112 1.00 0.29 H new ATOM 0 HB VAL B 9 0.289 9.435 30.786 1.00 0.30 H new ATOM 0 HG11 VAL B 9 0.942 8.536 33.005 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.775 8.215 32.667 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.423 6.910 32.498 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.597 8.583 31.136 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.073 6.958 30.634 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.060 8.299 29.463 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.536 6.968 31.200 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.923 7.184 31.703 1.00 0.36 C ATOM 1013 C ARG B 10 -3.961 6.985 33.221 1.00 0.31 C ATOM 1014 O ARG B 10 -3.080 6.378 33.794 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.773 6.125 31.000 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.244 6.320 31.372 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.783 7.577 30.685 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.184 7.709 31.172 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.923 8.714 30.783 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.436 9.608 29.964 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.150 8.826 31.213 1.00 1.92 N ATOM 0 H ARG B 10 -2.105 6.091 31.491 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.287 8.191 31.501 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.647 6.201 29.920 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.443 5.127 31.290 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.825 5.449 31.068 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.348 6.411 32.453 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.190 8.454 30.945 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.749 7.479 29.600 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.568 7.013 31.811 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.477 9.522 29.627 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -9.015 10.392 29.662 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.532 8.129 31.853 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.727 9.610 30.910 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.948 7.522 33.882 1.00 0.33 N ATOM 1036 CA LYS B 11 -5.005 7.391 35.368 1.00 0.30 C ATOM 1037 C LYS B 11 -5.683 6.075 35.763 1.00 0.26 C ATOM 1038 O LYS B 11 -6.562 5.588 35.078 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.834 8.585 35.840 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.097 9.884 35.505 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.869 11.073 36.080 1.00 1.03 C ATOM 1042 CE LYS B 11 -5.198 12.377 35.644 1.00 1.81 C ATOM 1043 NZ LYS B 11 -5.536 13.359 36.711 1.00 2.21 N ATOM 0 H LYS B 11 -5.716 8.045 33.461 1.00 0.33 H new ATOM 0 HA LYS B 11 -4.012 7.380 35.818 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.812 8.575 35.359 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -6.007 8.519 36.914 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -4.088 9.859 35.917 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.998 9.990 34.425 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.903 11.050 35.734 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.895 11.011 37.168 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -4.119 12.253 35.549 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.568 12.706 34.673 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -5.110 14.280 36.483 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -6.569 13.461 36.774 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -5.165 13.023 37.623 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.277 5.493 36.860 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.894 4.205 37.296 1.00 0.22 C ATOM 1059 C VAL B 12 -7.181 4.483 38.074 1.00 0.20 C ATOM 1060 O VAL B 12 -7.193 5.263 39.005 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.861 3.554 38.217 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.200 2.074 38.400 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.463 3.687 37.611 1.00 0.29 C ATOM 0 H VAL B 12 -4.545 5.853 37.473 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.149 3.566 36.450 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.880 4.055 39.185 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.464 1.611 39.056 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.191 1.980 38.843 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.187 1.575 37.431 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.734 3.221 38.273 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.439 3.193 36.640 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.219 4.742 37.488 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.260 3.846 37.715 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.531 4.079 38.456 1.00 0.21 C ATOM 1075 C ASP B 13 -9.592 3.177 39.697 1.00 0.22 C ATOM 1076 O ASP B 13 -8.615 2.562 40.075 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.649 3.750 37.454 1.00 0.22 C ATOM 1078 CG ASP B 13 -11.032 2.271 37.545 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.366 1.460 36.926 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.988 1.970 38.239 1.00 0.55 O ATOM 0 H ASP B 13 -8.318 3.178 36.946 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.623 5.102 38.820 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.522 4.371 37.657 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.319 3.985 36.442 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.691 3.195 40.399 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.763 2.456 41.695 1.00 0.26 C ATOM 1087 C GLU B 14 -10.377 0.980 41.526 1.00 0.26 C ATOM 1088 O GLU B 14 -9.792 0.385 42.409 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.223 2.576 42.133 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.395 1.944 43.516 1.00 1.22 C ATOM 1091 CD GLU B 14 -11.697 2.811 44.565 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -11.551 3.998 44.322 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -11.321 2.274 45.594 1.00 2.19 O ATOM 0 H GLU B 14 -11.543 3.689 40.133 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.069 2.868 42.428 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.520 3.624 42.161 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.872 2.080 41.411 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -13.454 1.849 43.754 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.975 0.938 43.522 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.810 0.349 40.470 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.585 -1.124 40.348 1.00 0.25 C ATOM 1102 C LEU B 15 -9.195 -1.437 39.779 1.00 0.23 C ATOM 1103 O LEU B 15 -8.810 -2.583 39.669 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.672 -1.620 39.397 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.446 -3.105 39.100 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.190 -3.858 40.410 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.689 -3.680 38.417 1.00 1.39 C ATOM 0 H LEU B 15 -11.306 0.782 39.691 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.632 -1.611 41.322 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.656 -1.472 39.842 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.651 -1.045 38.471 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.583 -3.217 38.444 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -11.029 -4.915 40.197 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.306 -3.448 40.899 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -12.052 -3.748 41.068 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.531 -4.737 38.204 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.551 -3.567 39.075 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.872 -3.146 37.485 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.453 -0.445 39.376 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.117 -0.727 38.775 1.00 0.20 C ATOM 1121 C GLY B 16 -7.292 -1.146 37.312 1.00 0.21 C ATOM 1122 O GLY B 16 -6.749 -2.140 36.865 1.00 0.21 O ATOM 0 H GLY B 16 -8.709 0.541 39.435 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.484 0.158 38.837 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.615 -1.517 39.333 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.079 -0.418 36.571 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.324 -0.795 35.152 1.00 0.27 C ATOM 1128 C ARG B 17 -7.756 0.279 34.221 1.00 0.26 C ATOM 1129 O ARG B 17 -7.617 1.427 34.592 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.846 -0.876 35.024 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.363 -2.045 35.867 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.879 -2.166 35.703 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.435 -0.967 36.388 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.704 -0.924 36.702 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.494 -1.913 36.378 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.186 0.107 37.341 1.00 1.14 N ATOM 0 H ARG B 17 -8.563 0.422 36.887 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.845 -1.735 34.879 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.301 0.057 35.357 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.128 -1.013 33.980 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.879 -2.971 35.558 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.112 -1.889 36.916 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.162 -2.187 34.651 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.253 -3.086 36.152 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.827 -0.180 36.612 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.121 -2.721 35.879 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.483 -1.877 36.624 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.573 0.881 37.596 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.176 0.139 37.585 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.413 -0.090 33.019 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.837 0.903 32.068 1.00 0.26 C ATOM 1152 C VAL B 18 -7.666 0.935 30.784 1.00 0.24 C ATOM 1153 O VAL B 18 -8.351 -0.012 30.457 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.422 0.403 31.781 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.655 0.255 33.097 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.495 -0.956 31.080 1.00 0.26 C ATOM 0 H VAL B 18 -7.506 -1.037 32.653 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.834 1.915 32.474 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.908 1.118 31.139 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.646 -0.102 32.892 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.603 1.221 33.599 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.169 -0.460 33.739 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.486 -1.314 30.875 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.010 -1.670 31.723 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.041 -0.853 30.142 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.671 2.043 30.097 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.534 2.158 28.888 1.00 0.22 C ATOM 1168 C VAL B 19 -7.680 2.224 27.621 1.00 0.22 C ATOM 1169 O VAL B 19 -6.757 3.007 27.524 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.303 3.465 29.078 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.354 3.605 27.976 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.991 3.457 30.445 1.00 0.24 C ATOM 0 H VAL B 19 -7.118 2.871 30.319 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.197 1.300 28.776 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.611 4.305 29.025 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.902 4.537 28.112 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.862 3.612 27.003 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.048 2.766 28.026 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.540 4.389 30.582 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.683 2.617 30.499 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.241 3.360 31.229 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.049 1.483 26.613 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.331 1.591 25.313 1.00 0.24 C ATOM 1184 C ILE B 20 -7.884 2.782 24.521 1.00 0.24 C ATOM 1185 O ILE B 20 -9.078 2.939 24.404 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.627 0.264 24.601 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.612 -0.788 25.052 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.529 0.443 23.083 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.932 -2.126 24.383 1.00 1.38 C ATOM 0 H ILE B 20 -8.815 0.809 26.633 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.259 1.757 25.424 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.637 -0.058 24.856 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -5.603 -0.471 24.790 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.641 -0.895 26.136 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.741 -0.506 22.590 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.252 1.191 22.757 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.524 0.772 22.820 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.209 -2.876 24.704 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -7.935 -2.444 24.667 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -6.880 -2.013 23.300 1.00 1.38 H new ATOM 1201 N PRO B 21 -6.992 3.553 23.961 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.408 4.704 23.121 1.00 0.30 C ATOM 1203 C PRO B 21 -8.281 4.218 21.959 1.00 0.28 C ATOM 1204 O PRO B 21 -8.069 3.153 21.418 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.092 5.293 22.607 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.034 4.277 22.918 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.539 3.429 24.054 1.00 0.32 C ATOM 0 HA PRO B 21 -7.999 5.438 23.669 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.144 5.487 21.536 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.874 6.244 23.093 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.826 3.661 22.043 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.100 4.768 23.192 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.219 2.392 23.953 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.168 3.785 25.015 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.278 4.975 21.591 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.180 4.528 20.489 1.00 0.30 C ATOM 1217 C ILE B 22 -9.368 4.218 19.230 1.00 0.33 C ATOM 1218 O ILE B 22 -9.698 3.329 18.472 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.120 5.707 20.241 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.279 5.257 19.347 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.354 6.836 19.550 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.120 4.214 20.084 1.00 1.11 C ATOM 0 H ILE B 22 -9.507 5.880 22.003 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.724 3.619 20.747 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.512 6.064 21.194 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.897 6.113 19.078 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.893 4.837 18.418 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.025 7.676 19.374 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.529 7.158 20.185 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -9.961 6.479 18.598 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.944 3.895 19.446 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.498 3.354 20.331 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.518 4.649 21.001 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.293 4.922 19.014 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.453 4.635 17.818 1.00 0.40 C ATOM 1236 C GLU B 23 -6.989 3.177 17.849 1.00 0.37 C ATOM 1237 O GLU B 23 -6.911 2.515 16.833 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.259 5.581 17.939 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.386 5.465 16.688 1.00 1.22 C ATOM 1240 CD GLU B 23 -6.134 6.047 15.488 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -7.000 6.879 15.701 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -5.828 5.651 14.375 1.00 2.37 O ATOM 0 H GLU B 23 -7.960 5.680 19.610 1.00 0.36 H new ATOM 0 HA GLU B 23 -7.993 4.781 16.882 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.606 6.607 18.059 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.676 5.335 18.826 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -4.446 5.997 16.837 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -5.135 4.421 16.502 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.704 2.669 19.017 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.274 1.247 19.132 1.00 0.33 C ATOM 1251 C LEU B 24 -7.489 0.315 19.133 1.00 0.29 C ATOM 1252 O LEU B 24 -7.432 -0.784 18.621 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.523 1.163 20.459 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.269 2.037 20.391 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.439 1.840 21.661 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.436 1.636 19.171 1.00 1.75 C ATOM 0 H LEU B 24 -6.751 3.179 19.899 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.649 0.939 18.293 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.166 1.494 21.275 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.248 0.129 20.669 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.560 3.084 20.307 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.546 2.463 21.612 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.032 2.123 22.531 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.147 0.793 21.746 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.542 2.258 19.121 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.146 0.589 19.257 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.026 1.776 18.265 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.611 0.767 19.629 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.829 -0.089 19.557 1.00 0.23 C ATOM 1270 C ARG B 25 -10.109 -0.443 18.097 1.00 0.26 C ATOM 1271 O ARG B 25 -10.450 -1.561 17.770 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.979 0.761 20.110 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.729 1.122 21.576 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.998 1.762 22.152 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.552 2.520 23.352 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.298 3.473 23.843 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.446 3.760 23.289 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.897 4.139 24.891 1.00 0.27 N ATOM 0 H ARG B 25 -8.735 1.677 20.074 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.709 -1.014 20.121 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.082 1.671 19.519 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.918 0.214 20.020 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.465 0.230 22.144 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.889 1.812 21.657 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.470 2.422 21.424 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.734 1.003 22.418 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.660 2.295 23.793 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.762 3.239 22.471 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.026 4.505 23.675 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.002 3.915 25.326 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.479 4.884 25.275 1.00 0.27 H new ATOM 1292 N ARG B 26 -10.006 0.519 17.221 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.311 0.257 15.785 1.00 0.33 C ATOM 1294 C ARG B 26 -9.194 -0.567 15.138 1.00 0.35 C ATOM 1295 O ARG B 26 -9.443 -1.541 14.456 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.394 1.642 15.142 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.571 2.414 15.742 1.00 1.07 C ATOM 1298 CD ARG B 26 -11.702 3.770 15.044 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.156 3.448 13.663 1.00 1.86 N ATOM 1300 CZ ARG B 26 -12.032 4.331 12.708 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -11.508 5.501 12.960 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -12.432 4.044 11.500 1.00 3.27 N ATOM 0 H ARG B 26 -9.724 1.475 17.437 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.232 -0.312 15.659 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.465 2.188 15.308 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.520 1.547 14.063 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -12.492 1.843 15.625 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.418 2.557 16.812 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -12.420 4.410 15.557 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -10.751 4.302 15.033 1.00 1.25 H new ATOM 0 HE ARG B 26 -12.565 2.535 13.462 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -11.195 5.727 13.904 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -11.412 6.189 12.213 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -12.841 3.131 11.302 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -12.336 4.733 10.754 1.00 3.27 H new ATOM 1316 N THR B 27 -7.966 -0.163 15.316 1.00 0.37 N ATOM 1317 CA THR B 27 -6.834 -0.893 14.674 1.00 0.41 C ATOM 1318 C THR B 27 -6.730 -2.323 15.215 1.00 0.39 C ATOM 1319 O THR B 27 -6.274 -3.220 14.533 1.00 0.42 O ATOM 1320 CB THR B 27 -5.585 -0.089 15.038 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.747 1.257 14.611 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.364 -0.701 14.349 1.00 0.77 C ATOM 0 H THR B 27 -7.696 0.643 15.880 1.00 0.37 H new ATOM 0 HA THR B 27 -6.967 -0.979 13.596 1.00 0.41 H new ATOM 0 HB THR B 27 -5.440 -0.112 16.118 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.155 1.782 15.331 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.474 -0.128 14.609 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.240 -1.733 14.678 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.507 -0.679 13.269 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.087 -2.533 16.451 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.940 -3.894 17.044 1.00 0.35 C ATOM 1332 C LEU B 28 -8.182 -4.747 16.758 1.00 0.33 C ATOM 1333 O LEU B 28 -8.219 -5.923 17.063 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.780 -3.657 18.546 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.376 -4.963 19.229 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.933 -5.310 18.856 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.482 -4.798 20.747 1.00 1.05 C ATOM 0 H LEU B 28 -7.473 -1.825 17.075 1.00 0.35 H new ATOM 0 HA LEU B 28 -6.091 -4.434 16.623 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -6.025 -2.892 18.726 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.715 -3.288 18.968 1.00 0.33 H new ATOM 0 HG LEU B 28 -7.039 -5.764 18.901 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.645 -6.242 19.343 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.855 -5.427 17.775 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.270 -4.509 19.184 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.194 -5.729 21.235 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.819 -3.997 21.073 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.509 -4.550 21.015 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.193 -4.174 16.163 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.414 -4.969 15.848 1.00 0.32 C ATOM 1351 C GLY B 29 -11.082 -5.419 17.148 1.00 0.29 C ATOM 1352 O GLY B 29 -11.475 -6.560 17.292 1.00 0.29 O ATOM 0 H GLY B 29 -9.226 -3.194 15.882 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -11.108 -4.370 15.259 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -10.149 -5.837 15.244 1.00 0.32 H new ATOM 1356 N ILE B 30 -11.185 -4.543 18.108 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.793 -4.937 19.411 1.00 0.24 C ATOM 1358 C ILE B 30 -13.093 -4.169 19.656 1.00 0.23 C ATOM 1359 O ILE B 30 -13.205 -2.996 19.360 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.752 -4.577 20.468 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.451 -5.327 20.176 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.270 -4.976 21.851 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.754 -6.814 19.977 1.00 0.30 C ATOM 0 H ILE B 30 -10.875 -3.573 18.048 1.00 0.27 H new ATOM 0 HA ILE B 30 -12.047 -5.997 19.434 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.567 -3.503 20.445 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.976 -4.919 19.284 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.750 -5.195 21.000 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.527 -4.719 22.606 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.198 -4.444 22.059 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.455 -6.050 21.874 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.828 -7.349 19.769 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.210 -7.217 20.881 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.440 -6.937 19.139 1.00 0.30 H new ATOM 1375 N ALA B 31 -14.085 -4.843 20.163 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.403 -4.191 20.401 1.00 0.23 C ATOM 1377 C ALA B 31 -16.008 -4.700 21.712 1.00 0.20 C ATOM 1378 O ALA B 31 -15.548 -5.668 22.285 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.271 -4.614 19.217 1.00 0.23 C ATOM 0 H ALA B 31 -14.039 -5.828 20.426 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.322 -3.107 20.482 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.263 -4.173 19.317 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.813 -4.270 18.289 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.357 -5.700 19.199 1.00 0.23 H new ATOM 1385 N GLU B 32 -17.029 -4.053 22.197 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.651 -4.497 23.477 1.00 0.21 C ATOM 1387 C GLU B 32 -18.025 -5.982 23.407 1.00 0.19 C ATOM 1388 O GLU B 32 -18.446 -6.477 22.382 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.907 -3.637 23.624 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.559 -3.914 24.979 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.874 -3.139 25.081 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.219 -2.468 24.122 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.513 -3.230 26.116 1.00 1.13 O ATOM 0 H GLU B 32 -17.461 -3.236 21.764 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.973 -4.383 24.323 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.649 -2.581 23.542 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.608 -3.858 22.819 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.744 -4.982 25.094 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.887 -3.619 25.785 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.926 -6.673 24.514 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.331 -8.114 24.570 1.00 0.20 C ATOM 1402 C LYS B 33 -17.293 -9.008 23.881 1.00 0.18 C ATOM 1403 O LYS B 33 -17.349 -10.218 23.980 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.677 -8.197 23.844 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.379 -9.502 24.227 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.695 -9.619 23.454 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.474 -10.838 23.953 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.242 -11.314 22.769 1.00 1.88 N ATOM 0 H LYS B 33 -17.577 -6.296 25.395 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.404 -8.462 25.600 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.300 -7.344 24.111 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.525 -8.156 22.765 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.736 -10.353 24.002 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.572 -9.523 25.300 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.289 -8.715 23.588 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.495 -9.714 22.387 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -21.802 -11.611 24.325 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -23.139 -10.572 24.775 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -23.803 -12.150 23.032 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -23.878 -10.559 22.442 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -22.582 -11.566 22.006 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.290 -8.433 23.276 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.198 -9.272 22.699 1.00 0.16 C ATOM 1424 C ASP B 34 -14.273 -9.766 23.813 1.00 0.19 C ATOM 1425 O ASP B 34 -14.356 -9.318 24.939 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.446 -8.355 21.739 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.294 -8.130 20.488 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.319 -8.780 20.365 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.902 -7.313 19.676 1.00 1.09 O ATOM 0 H ASP B 34 -16.178 -7.426 23.156 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.583 -10.155 22.189 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.230 -7.402 22.222 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.488 -8.800 21.468 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.451 -10.739 23.530 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.590 -11.316 24.601 1.00 0.28 C ATOM 1436 C ALA B 35 -11.135 -10.860 24.436 1.00 0.20 C ATOM 1437 O ALA B 35 -10.550 -10.983 23.379 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.701 -12.829 24.419 1.00 0.36 C ATOM 0 H ALA B 35 -13.338 -11.158 22.607 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.903 -10.995 25.594 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.094 -13.332 25.172 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.742 -13.133 24.530 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.347 -13.103 23.425 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.527 -10.415 25.502 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.083 -10.043 25.448 1.00 0.21 C ATOM 1446 C LEU B 36 -8.260 -11.075 26.220 1.00 0.19 C ATOM 1447 O LEU B 36 -8.631 -11.475 27.302 1.00 0.23 O ATOM 1448 CB LEU B 36 -8.996 -8.690 26.153 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.063 -7.743 25.608 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.268 -6.607 26.608 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.601 -7.169 24.267 1.00 0.56 C ATOM 0 H LEU B 36 -10.970 -10.292 26.413 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.703 -10.003 24.427 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.130 -8.822 27.227 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.006 -8.258 26.006 1.00 0.34 H new ATOM 0 HG LEU B 36 -10.999 -8.282 25.462 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.028 -5.923 26.231 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.592 -7.018 27.564 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.330 -6.068 26.744 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.363 -6.493 23.879 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.668 -6.622 24.407 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.442 -7.982 23.559 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.091 -11.406 25.749 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.204 -12.291 26.555 1.00 0.20 C ATOM 1465 C GLU B 37 -5.036 -11.481 27.123 1.00 0.18 C ATOM 1466 O GLU B 37 -4.563 -10.545 26.511 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.711 -13.365 25.586 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.881 -14.400 26.348 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.321 -15.431 25.366 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.603 -15.308 24.185 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.621 -16.325 25.811 1.00 1.17 O ATOM 0 H GLU B 37 -6.713 -11.106 24.850 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.722 -12.735 27.405 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.559 -13.849 25.101 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.110 -12.911 24.798 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.066 -13.908 26.879 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.498 -14.895 27.098 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.671 -11.744 28.346 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.656 -10.894 29.025 1.00 0.20 C ATOM 1480 C ILE B 38 -2.367 -11.682 29.267 1.00 0.19 C ATOM 1481 O ILE B 38 -2.392 -12.830 29.676 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.298 -10.499 30.355 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.624 -9.783 30.087 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.359 -9.563 31.119 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.329 -9.501 31.414 1.00 0.84 C ATOM 0 H ILE B 38 -5.034 -12.515 28.907 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.384 -10.026 28.425 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.480 -11.394 30.950 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.444 -8.850 29.553 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.259 -10.398 29.449 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -3.818 -9.282 32.067 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.414 -10.072 31.310 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.176 -8.668 30.525 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.273 -8.991 31.223 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.522 -10.441 31.930 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -5.695 -8.869 32.036 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.250 -11.058 29.011 1.00 0.18 N ATOM 1498 CA TYR B 39 0.070 -11.725 29.203 1.00 0.20 C ATOM 1499 C TYR B 39 0.845 -11.037 30.329 1.00 0.20 C ATOM 1500 O TYR B 39 0.682 -9.857 30.567 1.00 0.19 O ATOM 1501 CB TYR B 39 0.803 -11.504 27.884 1.00 0.23 C ATOM 1502 CG TYR B 39 0.316 -12.466 26.834 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.009 -12.414 26.383 1.00 0.31 C ATOM 1504 CD2 TYR B 39 1.203 -13.402 26.298 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.444 -13.305 25.393 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.770 -14.292 25.312 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.552 -14.244 24.858 1.00 0.39 C ATOM 1508 OH TYR B 39 -0.975 -15.124 23.884 1.00 0.45 O ATOM 0 H TYR B 39 -1.195 -10.098 28.671 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.033 -12.778 29.464 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.649 -10.480 27.545 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.875 -11.633 28.033 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.694 -11.689 26.797 1.00 0.31 H new ATOM 0 HD2 TYR B 39 2.225 -13.438 26.646 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.465 -13.268 25.043 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.456 -15.017 24.900 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.720 -16.036 24.134 1.00 0.45 H new ATOM 1518 N VAL B 40 1.794 -11.714 30.915 1.00 0.21 N ATOM 1519 CA VAL B 40 2.688 -11.026 31.891 1.00 0.21 C ATOM 1520 C VAL B 40 4.158 -11.317 31.570 1.00 0.21 C ATOM 1521 O VAL B 40 4.592 -12.451 31.576 1.00 0.23 O ATOM 1522 CB VAL B 40 2.310 -11.602 33.253 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.261 -11.055 34.318 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.876 -11.191 33.593 1.00 0.26 C ATOM 0 H VAL B 40 1.989 -12.704 30.763 1.00 0.21 H new ATOM 0 HA VAL B 40 2.570 -9.943 31.861 1.00 0.21 H new ATOM 0 HB VAL B 40 2.383 -12.689 33.224 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.992 -11.466 35.291 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.284 -11.341 34.074 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.186 -9.968 34.349 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.601 -11.600 34.565 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.807 -10.104 33.624 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.197 -11.576 32.832 1.00 0.26 H new ATOM 1534 N ASP B 41 4.936 -10.293 31.343 1.00 0.21 N ATOM 1535 CA ASP B 41 6.389 -10.501 31.080 1.00 0.21 C ATOM 1536 C ASP B 41 7.199 -9.318 31.622 1.00 0.24 C ATOM 1537 O ASP B 41 6.837 -8.174 31.440 1.00 0.26 O ATOM 1538 CB ASP B 41 6.512 -10.579 29.557 1.00 0.19 C ATOM 1539 CG ASP B 41 6.330 -9.183 28.957 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.553 -8.419 29.506 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.970 -8.903 27.957 1.00 1.77 O ATOM 0 H ASP B 41 4.628 -9.321 31.328 1.00 0.21 H new ATOM 0 HA ASP B 41 6.771 -11.399 31.566 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.487 -10.981 29.281 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.761 -11.260 29.155 1.00 0.19 H new ATOM 1546 N ASP B 42 8.339 -9.581 32.199 1.00 0.27 N ATOM 1547 CA ASP B 42 9.224 -8.465 32.649 1.00 0.32 C ATOM 1548 C ASP B 42 8.413 -7.366 33.349 1.00 0.32 C ATOM 1549 O ASP B 42 8.606 -6.192 33.101 1.00 0.37 O ATOM 1550 CB ASP B 42 9.855 -7.931 31.364 1.00 0.37 C ATOM 1551 CG ASP B 42 10.741 -6.728 31.691 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.918 -6.449 32.865 1.00 1.21 O ATOM 1553 OD2 ASP B 42 11.227 -6.106 30.761 1.00 1.14 O ATOM 0 H ASP B 42 8.697 -10.519 32.379 1.00 0.27 H new ATOM 0 HA ASP B 42 9.969 -8.800 33.371 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.446 -8.712 30.885 1.00 0.37 H new ATOM 0 HB3 ASP B 42 9.077 -7.642 30.658 1.00 0.37 H new ATOM 1558 N GLU B 43 7.565 -7.732 34.273 1.00 0.29 N ATOM 1559 CA GLU B 43 6.808 -6.702 35.052 1.00 0.30 C ATOM 1560 C GLU B 43 5.984 -5.814 34.116 1.00 0.29 C ATOM 1561 O GLU B 43 5.438 -4.808 34.522 1.00 0.30 O ATOM 1562 CB GLU B 43 7.877 -5.879 35.771 1.00 0.34 C ATOM 1563 CG GLU B 43 8.673 -6.786 36.713 1.00 1.17 C ATOM 1564 CD GLU B 43 9.691 -5.949 37.488 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.852 -4.787 37.153 1.00 1.92 O ATOM 1566 OE2 GLU B 43 10.293 -6.484 38.405 1.00 1.68 O ATOM 0 H GLU B 43 7.362 -8.700 34.524 1.00 0.29 H new ATOM 0 HA GLU B 43 6.105 -7.156 35.750 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.545 -5.416 35.044 1.00 0.34 H new ATOM 0 HB3 GLU B 43 7.411 -5.071 36.335 1.00 0.34 H new ATOM 0 HG2 GLU B 43 7.999 -7.290 37.405 1.00 1.17 H new ATOM 0 HG3 GLU B 43 9.183 -7.562 36.143 1.00 1.17 H new ATOM 1573 N LYS B 44 5.823 -6.222 32.888 1.00 0.29 N ATOM 1574 CA LYS B 44 4.957 -5.451 31.952 1.00 0.30 C ATOM 1575 C LYS B 44 3.768 -6.308 31.515 1.00 0.27 C ATOM 1576 O LYS B 44 3.869 -7.513 31.402 1.00 0.26 O ATOM 1577 CB LYS B 44 5.847 -5.125 30.753 1.00 0.34 C ATOM 1578 CG LYS B 44 6.935 -4.135 31.171 1.00 1.29 C ATOM 1579 CD LYS B 44 7.732 -3.710 29.937 1.00 1.23 C ATOM 1580 CE LYS B 44 8.835 -2.734 30.349 1.00 1.90 C ATOM 1581 NZ LYS B 44 10.099 -3.515 30.243 1.00 2.00 N ATOM 0 H LYS B 44 6.254 -7.057 32.491 1.00 0.29 H new ATOM 0 HA LYS B 44 4.554 -4.549 32.413 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.301 -6.037 30.367 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.247 -4.702 29.947 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.486 -3.263 31.646 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.597 -4.593 31.906 1.00 1.29 H new ATOM 0 HD2 LYS B 44 8.168 -4.585 29.455 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.071 -3.241 29.209 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.854 -1.861 29.696 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.680 -2.369 31.364 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.834 -3.066 30.825 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.936 -4.486 30.579 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.410 -3.539 29.251 1.00 2.00 H new ATOM 1595 N ILE B 45 2.642 -5.700 31.276 1.00 0.28 N ATOM 1596 CA ILE B 45 1.447 -6.489 30.858 1.00 0.26 C ATOM 1597 C ILE B 45 1.260 -6.397 29.342 1.00 0.26 C ATOM 1598 O ILE B 45 1.189 -5.321 28.784 1.00 0.29 O ATOM 1599 CB ILE B 45 0.274 -5.827 31.579 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.558 -5.786 33.081 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.002 -6.630 31.323 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.446 -4.856 33.763 1.00 1.24 C ATOM 0 H ILE B 45 2.495 -4.693 31.351 1.00 0.28 H new ATOM 0 HA ILE B 45 1.539 -7.547 31.105 1.00 0.26 H new ATOM 0 HB ILE B 45 0.144 -4.811 31.205 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.487 -6.788 33.503 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.575 -5.436 33.261 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.839 -6.157 31.838 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.205 -6.660 30.252 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.874 -7.646 31.696 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.245 -4.826 34.834 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.353 -3.853 33.348 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.457 -5.226 33.594 1.00 1.24 H new ATOM 1614 N ILE B 46 1.131 -7.514 28.679 1.00 0.26 N ATOM 1615 CA ILE B 46 0.892 -7.487 27.207 1.00 0.29 C ATOM 1616 C ILE B 46 -0.522 -7.984 26.893 1.00 0.28 C ATOM 1617 O ILE B 46 -0.878 -9.105 27.190 1.00 0.31 O ATOM 1618 CB ILE B 46 1.943 -8.432 26.620 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.322 -7.781 26.727 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.623 -8.721 25.151 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.392 -8.870 26.802 1.00 0.50 C ATOM 0 H ILE B 46 1.181 -8.445 29.093 1.00 0.26 H new ATOM 0 HA ILE B 46 0.972 -6.483 26.790 1.00 0.29 H new ATOM 0 HB ILE B 46 1.936 -9.370 27.175 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.501 -7.138 25.865 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.370 -7.147 27.612 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.375 -9.394 24.740 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.640 -9.187 25.078 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.625 -7.788 24.588 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.376 -8.408 26.878 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.215 -9.494 27.678 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.349 -9.485 25.903 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.334 -7.153 26.304 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.727 -7.576 25.982 1.00 0.29 C ATOM 1635 C LEU B 47 -2.879 -7.782 24.475 1.00 0.31 C ATOM 1636 O LEU B 47 -2.429 -6.977 23.682 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.616 -6.425 26.452 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.381 -6.169 27.941 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -2.095 -5.361 28.125 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.562 -5.382 28.513 1.00 1.23 C ATOM 0 H LEU B 47 -1.095 -6.200 26.031 1.00 0.28 H new ATOM 0 HA LEU B 47 -2.991 -8.517 26.464 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.395 -5.525 25.879 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.664 -6.666 26.275 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.289 -7.121 28.463 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.928 -5.179 29.187 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.253 -5.919 27.716 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.186 -4.408 27.604 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.397 -5.198 29.575 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.653 -4.430 27.990 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.479 -5.956 28.383 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.530 -8.839 24.077 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.739 -9.086 22.622 1.00 0.34 C ATOM 1654 C LYS B 48 -5.163 -9.591 22.374 1.00 0.27 C ATOM 1655 O LYS B 48 -5.814 -10.095 23.267 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.722 -10.166 22.249 1.00 0.47 C ATOM 1657 CG LYS B 48 -3.134 -11.497 22.882 1.00 0.65 C ATOM 1658 CD LYS B 48 -2.134 -12.584 22.483 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.824 -13.949 22.533 1.00 1.54 C ATOM 1660 NZ LYS B 48 -1.976 -14.840 21.693 1.00 1.74 N ATOM 0 H LYS B 48 -3.927 -9.544 24.697 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.609 -8.181 22.029 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.666 -10.269 21.165 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.729 -9.879 22.594 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -3.168 -11.400 23.967 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -4.136 -11.773 22.555 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.753 -12.393 21.480 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.278 -12.572 23.157 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -2.893 -14.319 23.556 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -3.841 -13.892 22.145 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -2.576 -15.545 21.219 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -1.478 -14.272 20.978 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -1.281 -15.326 22.295 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.627 -9.524 21.156 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.978 -10.074 20.849 1.00 0.25 C ATOM 1676 C LYS B 49 -7.028 -11.560 21.202 1.00 0.22 C ATOM 1677 O LYS B 49 -6.033 -12.255 21.145 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.163 -9.874 19.346 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.570 -10.319 18.942 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.736 -10.177 17.428 1.00 0.54 C ATOM 1681 CE LYS B 49 -10.188 -10.468 17.043 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.098 -11.341 15.839 1.00 1.65 N ATOM 0 H LYS B 49 -5.132 -9.114 20.364 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.764 -9.580 21.420 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -7.013 -8.826 19.087 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.417 -10.448 18.797 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.735 -11.354 19.241 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.316 -9.715 19.458 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.461 -9.170 17.114 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -8.067 -10.866 16.912 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.719 -10.967 17.854 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.731 -9.548 16.824 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.875 -12.032 15.852 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -10.169 -10.757 14.981 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.188 -11.844 15.842 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.159 -12.036 21.640 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.243 -13.458 22.081 1.00 0.22 C ATOM 1698 C TYR B 50 -8.993 -14.300 21.047 1.00 0.25 C ATOM 1699 O TYR B 50 -10.182 -14.146 20.851 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.018 -13.412 23.397 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.135 -14.806 23.962 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.082 -15.715 23.807 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.297 -15.192 24.640 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.191 -17.009 24.329 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.407 -16.485 25.162 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.354 -17.394 25.007 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.462 -18.669 25.522 1.00 0.65 O ATOM 0 H TYR B 50 -9.027 -11.505 21.712 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.258 -13.911 22.196 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.509 -12.762 24.108 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.010 -12.990 23.233 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.185 -15.418 23.284 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.110 -14.491 24.760 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.378 -17.710 24.209 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.304 -16.782 25.685 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.331 -18.771 25.962 1.00 0.65 H new ATOM 1717 N LYS B 51 -8.320 -15.228 20.423 1.00 0.38 N ATOM 1718 CA LYS B 51 -9.009 -16.117 19.443 1.00 0.44 C ATOM 1719 C LYS B 51 -8.836 -17.584 19.844 1.00 1.25 C ATOM 1720 O LYS B 51 -7.935 -18.254 19.380 1.00 2.08 O ATOM 1721 CB LYS B 51 -8.319 -15.842 18.106 1.00 1.27 C ATOM 1722 CG LYS B 51 -9.355 -15.372 17.083 1.00 2.06 C ATOM 1723 CD LYS B 51 -8.671 -14.505 16.024 1.00 2.71 C ATOM 1724 CE LYS B 51 -7.663 -15.352 15.244 1.00 3.57 C ATOM 1725 NZ LYS B 51 -6.398 -14.565 15.270 1.00 4.35 N ATOM 0 H LYS B 51 -7.324 -15.409 20.549 1.00 0.38 H new ATOM 0 HA LYS B 51 -10.081 -15.926 19.396 1.00 0.44 H new ATOM 0 HB2 LYS B 51 -7.547 -15.083 18.233 1.00 1.27 H new ATOM 0 HB3 LYS B 51 -7.823 -16.744 17.748 1.00 1.27 H new ATOM 0 HG2 LYS B 51 -9.832 -16.231 16.612 1.00 2.06 H new ATOM 0 HG3 LYS B 51 -10.141 -14.804 17.581 1.00 2.06 H new ATOM 0 HD2 LYS B 51 -9.414 -14.088 15.345 1.00 2.71 H new ATOM 0 HD3 LYS B 51 -8.165 -13.664 16.498 1.00 2.71 H new ATOM 0 HE2 LYS B 51 -7.529 -16.330 15.705 1.00 3.57 H new ATOM 0 HE3 LYS B 51 -8.000 -15.525 14.222 1.00 3.57 H new ATOM 0 HZ1 LYS B 51 -5.657 -15.082 14.754 1.00 4.35 H new ATOM 0 HZ2 LYS B 51 -6.554 -13.641 14.818 1.00 4.35 H new ATOM 0 HZ3 LYS B 51 -6.098 -14.422 16.256 1.00 4.35 H new ATOM 1739 N PRO B 52 -9.710 -18.032 20.703 1.00 1.79 N ATOM 1740 CA PRO B 52 -9.656 -19.435 21.183 1.00 2.79 C ATOM 1741 C PRO B 52 -9.689 -20.404 19.997 1.00 2.90 C ATOM 1742 O PRO B 52 -10.337 -20.158 19.000 1.00 3.05 O ATOM 1743 CB PRO B 52 -10.914 -19.584 22.039 1.00 3.58 C ATOM 1744 CG PRO B 52 -11.335 -18.189 22.383 1.00 3.28 C ATOM 1745 CD PRO B 52 -10.818 -17.281 21.300 1.00 2.28 C ATOM 0 HA PRO B 52 -8.745 -19.658 21.739 1.00 2.79 H new ATOM 0 HB2 PRO B 52 -11.699 -20.107 21.494 1.00 3.58 H new ATOM 0 HB3 PRO B 52 -10.709 -20.165 22.938 1.00 3.58 H new ATOM 0 HG2 PRO B 52 -12.421 -18.122 22.453 1.00 3.28 H new ATOM 0 HG3 PRO B 52 -10.934 -17.896 23.353 1.00 3.28 H new ATOM 0 HD2 PRO B 52 -11.591 -17.058 20.564 1.00 2.28 H new ATOM 0 HD3 PRO B 52 -10.480 -16.328 21.706 1.00 2.28 H new ATOM 1753 N ASN B 53 -8.994 -21.504 20.099 1.00 3.43 N ATOM 1754 CA ASN B 53 -8.985 -22.487 18.977 1.00 4.01 C ATOM 1755 C ASN B 53 -9.723 -23.764 19.388 1.00 4.61 C ATOM 1756 O ASN B 53 -10.940 -23.776 19.297 1.00 5.09 O ATOM 1757 CB ASN B 53 -7.507 -22.781 18.720 1.00 4.59 C ATOM 1758 CG ASN B 53 -6.808 -21.507 18.241 1.00 5.20 C ATOM 1759 OD1 ASN B 53 -7.453 -20.568 17.819 1.00 5.34 O ATOM 1760 ND2 ASN B 53 -5.506 -21.434 18.290 1.00 5.97 N ATOM 1761 OXT ASN B 53 -9.059 -24.707 19.785 1.00 4.97 O ATOM 0 H ASN B 53 -8.432 -21.765 20.910 1.00 3.43 H new ATOM 0 HA ASN B 53 -9.485 -22.104 18.087 1.00 4.01 H new ATOM 0 HB2 ASN B 53 -7.034 -23.147 19.632 1.00 4.59 H new ATOM 0 HB3 ASN B 53 -7.407 -23.567 17.971 1.00 4.59 H new ATOM 0 HD21 ASN B 53 -5.030 -20.589 17.974 1.00 5.97 H new ATOM 0 HD22 ASN B 53 -4.964 -22.222 18.644 1.00 5.97 H new TER 1768 ASN B 53