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 Single : A 3 MET CE :methyl -155:sc= -0.209 (180deg=-1.62!) USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= -0.044 (180deg=-0.471) USER MOD Single : A 5 SER OG : rot 170:sc= 0.00324 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 91:sc= 1 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.698) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= -0.606 (180deg=-1.82!) 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= -1.79! C(o=-1.8!,f=-5.5!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.0388 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 91:sc= 0.972 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= -0.342 USER MOD Single : B 44 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.48) USER MOD Single : B 48 LYS NZ :NH3+ -110:sc= -0.586 (180deg=-1.83!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 LYS NZ :NH3+ 141:sc= -0.52 (180deg=-2.81!) USER MOD Single : B 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 2 12.416 -18.072 33.631 1.00 8.91 N ATOM 2 CA PHE A 2 11.275 -17.149 33.360 1.00 8.45 C ATOM 3 C PHE A 2 9.948 -17.904 33.469 1.00 7.63 C ATOM 4 O PHE A 2 9.816 -19.019 33.007 1.00 7.72 O ATOM 5 CB PHE A 2 11.496 -16.653 31.931 1.00 8.96 C ATOM 6 CG PHE A 2 10.478 -15.587 31.606 1.00 9.49 C ATOM 7 CD1 PHE A 2 10.708 -14.260 31.988 1.00 9.80 C ATOM 8 CD2 PHE A 2 9.304 -15.925 30.922 1.00 9.97 C ATOM 9 CE1 PHE A 2 9.763 -13.271 31.687 1.00 10.54 C ATOM 10 CE2 PHE A 2 8.360 -14.936 30.622 1.00 10.72 C ATOM 11 CZ PHE A 2 8.589 -13.609 31.003 1.00 10.99 C ATOM 0 HA PHE A 2 11.231 -16.326 34.073 1.00 8.45 H new ATOM 0 HB2 PHE A 2 12.504 -16.253 31.825 1.00 8.96 H new ATOM 0 HB3 PHE A 2 11.407 -17.482 31.229 1.00 8.96 H new ATOM 0 HD1 PHE A 2 11.614 -13.999 32.515 1.00 9.80 H new ATOM 0 HD2 PHE A 2 9.127 -16.948 30.626 1.00 9.97 H new ATOM 0 HE1 PHE A 2 9.940 -12.247 31.983 1.00 10.54 H new ATOM 0 HE2 PHE A 2 7.454 -15.197 30.096 1.00 10.72 H new ATOM 0 HZ PHE A 2 7.861 -12.846 30.770 1.00 10.99 H new ATOM 21 N MET A 3 8.968 -17.312 34.096 1.00 7.11 N ATOM 22 CA MET A 3 7.656 -18.004 34.254 1.00 6.57 C ATOM 23 C MET A 3 6.778 -17.766 33.023 1.00 5.78 C ATOM 24 O MET A 3 6.998 -16.847 32.259 1.00 5.66 O ATOM 25 CB MET A 3 7.023 -17.374 35.495 1.00 6.89 C ATOM 26 CG MET A 3 7.861 -17.717 36.728 1.00 7.83 C ATOM 27 SD MET A 3 7.014 -17.133 38.216 1.00 8.58 S ATOM 28 CE MET A 3 6.965 -15.378 37.776 1.00 8.76 C ATOM 0 H MET A 3 9.019 -16.379 34.506 1.00 7.11 H new ATOM 0 HA MET A 3 7.769 -19.083 34.357 1.00 6.57 H new ATOM 0 HB2 MET A 3 6.960 -16.292 35.375 1.00 6.89 H new ATOM 0 HB3 MET A 3 6.004 -17.740 35.622 1.00 6.89 H new ATOM 0 HG2 MET A 3 8.018 -18.794 36.786 1.00 7.83 H new ATOM 0 HG3 MET A 3 8.845 -17.255 36.652 1.00 7.83 H new ATOM 0 HE1 MET A 3 6.902 -14.777 38.683 1.00 8.76 H new ATOM 0 HE2 MET A 3 7.870 -15.115 37.228 1.00 8.76 H new ATOM 0 HE3 MET A 3 6.093 -15.184 37.151 1.00 8.76 H new ATOM 38 N LYS A 4 5.802 -18.605 32.811 1.00 5.58 N ATOM 39 CA LYS A 4 4.928 -18.447 31.612 1.00 5.16 C ATOM 40 C LYS A 4 3.882 -17.355 31.855 1.00 4.32 C ATOM 41 O LYS A 4 3.563 -17.027 32.981 1.00 4.43 O ATOM 42 CB LYS A 4 4.252 -19.806 31.433 1.00 5.73 C ATOM 43 CG LYS A 4 5.308 -20.865 31.108 1.00 6.53 C ATOM 44 CD LYS A 4 4.621 -22.198 30.812 1.00 7.41 C ATOM 45 CE LYS A 4 5.679 -23.284 30.603 1.00 8.29 C ATOM 46 NZ LYS A 4 6.176 -23.604 31.970 1.00 8.85 N ATOM 0 H LYS A 4 5.571 -19.393 33.415 1.00 5.58 H new ATOM 0 HA LYS A 4 5.493 -18.152 30.728 1.00 5.16 H new ATOM 0 HB2 LYS A 4 3.716 -20.079 32.342 1.00 5.73 H new ATOM 0 HB3 LYS A 4 3.515 -19.754 30.631 1.00 5.73 H new ATOM 0 HG2 LYS A 4 5.901 -20.551 30.249 1.00 6.53 H new ATOM 0 HG3 LYS A 4 5.996 -20.977 31.946 1.00 6.53 H new ATOM 0 HD2 LYS A 4 3.963 -22.471 31.637 1.00 7.41 H new ATOM 0 HD3 LYS A 4 3.997 -22.108 29.923 1.00 7.41 H new ATOM 0 HE2 LYS A 4 5.252 -24.164 30.122 1.00 8.29 H new ATOM 0 HE3 LYS A 4 6.487 -22.931 29.962 1.00 8.29 H new ATOM 0 HZ1 LYS A 4 7.203 -23.445 32.012 1.00 8.85 H new ATOM 0 HZ2 LYS A 4 5.702 -22.991 32.664 1.00 8.85 H new ATOM 0 HZ3 LYS A 4 5.970 -24.599 32.190 1.00 8.85 H new ATOM 60 N SER A 5 3.359 -16.780 30.807 1.00 3.84 N ATOM 61 CA SER A 5 2.346 -15.698 30.975 1.00 3.10 C ATOM 62 C SER A 5 1.142 -16.215 31.768 1.00 2.34 C ATOM 63 O SER A 5 0.906 -17.404 31.852 1.00 2.87 O ATOM 64 CB SER A 5 1.931 -15.321 29.554 1.00 3.66 C ATOM 65 OG SER A 5 3.081 -14.932 28.815 1.00 4.20 O ATOM 0 H SER A 5 3.589 -17.012 29.841 1.00 3.84 H new ATOM 0 HA SER A 5 2.742 -14.844 31.524 1.00 3.10 H new ATOM 0 HB2 SER A 5 1.442 -16.166 29.069 1.00 3.66 H new ATOM 0 HB3 SER A 5 1.208 -14.506 29.578 1.00 3.66 H new ATOM 0 HG SER A 5 2.847 -14.845 27.867 1.00 4.20 H new ATOM 71 N THR A 6 0.388 -15.330 32.361 1.00 1.82 N ATOM 72 CA THR A 6 -0.791 -15.771 33.161 1.00 1.98 C ATOM 73 C THR A 6 -1.801 -16.490 32.265 1.00 1.52 C ATOM 74 O THR A 6 -2.412 -17.464 32.660 1.00 2.20 O ATOM 75 CB THR A 6 -1.393 -14.481 33.721 1.00 2.86 C ATOM 76 OG1 THR A 6 -1.829 -13.659 32.646 1.00 3.36 O ATOM 77 CG2 THR A 6 -0.340 -13.736 34.543 1.00 3.77 C ATOM 0 H THR A 6 0.537 -14.322 32.326 1.00 1.82 H new ATOM 0 HA THR A 6 -0.516 -16.470 33.951 1.00 1.98 H new ATOM 0 HB THR A 6 -2.241 -14.724 34.361 1.00 2.86 H new ATOM 0 HG1 THR A 6 -2.217 -12.833 33.003 1.00 3.36 H new ATOM 0 HG21 THR A 6 -0.772 -12.818 34.941 1.00 3.77 H new ATOM 0 HG22 THR A 6 -0.008 -14.367 35.367 1.00 3.77 H new ATOM 0 HG23 THR A 6 0.511 -13.491 33.908 1.00 3.77 H new ATOM 85 N GLY A 7 -1.965 -16.036 31.052 1.00 0.83 N ATOM 86 CA GLY A 7 -2.916 -16.719 30.129 1.00 0.46 C ATOM 87 C GLY A 7 -4.346 -16.527 30.636 1.00 0.43 C ATOM 88 O GLY A 7 -5.117 -17.464 30.710 1.00 0.49 O ATOM 0 H GLY A 7 -1.484 -15.226 30.662 1.00 0.83 H new ATOM 0 HA2 GLY A 7 -2.818 -16.312 29.123 1.00 0.46 H new ATOM 0 HA3 GLY A 7 -2.680 -17.781 30.068 1.00 0.46 H new ATOM 92 N ILE A 8 -4.703 -15.328 31.006 1.00 0.37 N ATOM 93 CA ILE A 8 -6.084 -15.093 31.530 1.00 0.37 C ATOM 94 C ILE A 8 -6.829 -14.112 30.625 1.00 0.32 C ATOM 95 O ILE A 8 -6.273 -13.145 30.160 1.00 0.30 O ATOM 96 CB ILE A 8 -5.888 -14.491 32.918 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.003 -15.417 33.757 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.247 -14.331 33.602 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.706 -14.758 35.105 1.00 1.36 C ATOM 0 H ILE A 8 -4.104 -14.503 30.970 1.00 0.37 H new ATOM 0 HA ILE A 8 -6.673 -16.010 31.564 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.410 -13.516 32.825 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.502 -16.374 33.910 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.072 -15.624 33.229 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.107 -13.901 34.594 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -7.879 -13.672 33.007 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.725 -15.306 33.694 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.076 -15.418 35.702 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.189 -13.812 34.942 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.641 -14.573 35.634 1.00 1.36 H new ATOM 111 N VAL A 9 -8.063 -14.390 30.316 1.00 0.32 N ATOM 112 CA VAL A 9 -8.809 -13.506 29.371 1.00 0.29 C ATOM 113 C VAL A 9 -9.982 -12.820 30.077 1.00 0.32 C ATOM 114 O VAL A 9 -10.652 -13.405 30.906 1.00 0.37 O ATOM 115 CB VAL A 9 -9.311 -14.432 28.266 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.160 -13.633 27.276 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.114 -15.045 27.530 1.00 0.30 C ATOM 0 H VAL A 9 -8.589 -15.188 30.674 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.177 -12.709 28.978 1.00 0.29 H new ATOM 0 HB VAL A 9 -9.915 -15.226 28.705 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.518 -14.294 26.487 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.011 -13.195 27.797 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.556 -12.839 26.837 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.472 -15.706 26.741 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.511 -14.250 27.092 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.507 -15.615 28.234 1.00 0.30 H new ATOM 127 N ARG A 10 -10.263 -11.598 29.712 1.00 0.31 N ATOM 128 CA ARG A 10 -11.424 -10.879 30.311 1.00 0.36 C ATOM 129 C ARG A 10 -12.289 -10.278 29.198 1.00 0.31 C ATOM 130 O ARG A 10 -11.852 -10.133 28.076 1.00 0.27 O ATOM 131 CB ARG A 10 -10.810 -9.778 31.174 1.00 0.40 C ATOM 132 CG ARG A 10 -11.912 -9.078 31.970 1.00 0.73 C ATOM 133 CD ARG A 10 -11.306 -7.938 32.791 1.00 0.86 C ATOM 134 NE ARG A 10 -12.428 -7.427 33.627 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.386 -6.726 33.082 1.00 1.36 C ATOM 136 NH1 ARG A 10 -13.366 -6.468 31.802 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.367 -6.283 33.819 1.00 1.91 N ATOM 0 H ARG A 10 -9.735 -11.064 29.021 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.066 -11.536 30.898 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.071 -10.203 31.853 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.288 -9.057 30.545 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.672 -8.688 31.293 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.408 -9.791 32.629 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.482 -8.292 33.410 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -10.906 -7.156 32.146 1.00 0.86 H new ATOM 0 HE ARG A 10 -12.448 -7.625 34.627 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.600 -6.814 31.224 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.116 -5.920 31.380 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -14.385 -6.484 34.819 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -15.116 -5.735 33.395 1.00 1.91 H new ATOM 151 N LYS A 11 -13.522 -9.967 29.486 1.00 0.32 N ATOM 152 CA LYS A 11 -14.416 -9.422 28.424 1.00 0.29 C ATOM 153 C LYS A 11 -14.257 -7.902 28.318 1.00 0.26 C ATOM 154 O LYS A 11 -13.977 -7.228 29.290 1.00 0.27 O ATOM 155 CB LYS A 11 -15.833 -9.785 28.874 1.00 0.33 C ATOM 156 CG LYS A 11 -15.986 -11.307 28.898 1.00 1.02 C ATOM 157 CD LYS A 11 -17.434 -11.669 29.236 1.00 1.03 C ATOM 158 CE LYS A 11 -17.559 -13.187 29.384 1.00 1.81 C ATOM 159 NZ LYS A 11 -18.079 -13.658 28.069 1.00 2.21 N ATOM 0 H LYS A 11 -13.949 -10.066 30.407 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.182 -9.831 27.441 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.028 -9.373 29.864 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.565 -9.346 28.196 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.712 -11.726 27.930 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -15.310 -11.740 29.636 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -17.737 -11.177 30.160 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.102 -11.313 28.451 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -16.596 -13.642 29.614 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.238 -13.450 30.195 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -18.192 -14.692 28.090 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -19.000 -13.213 27.880 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -17.408 -13.399 27.318 1.00 2.21 H new ATOM 173 N VAL A 12 -14.435 -7.357 27.144 1.00 0.22 N ATOM 174 CA VAL A 12 -14.295 -5.881 26.975 1.00 0.21 C ATOM 175 C VAL A 12 -15.598 -5.186 27.374 1.00 0.20 C ATOM 176 O VAL A 12 -16.665 -5.556 26.930 1.00 0.20 O ATOM 177 CB VAL A 12 -14.027 -5.669 25.484 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.479 -4.260 25.257 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.011 -6.699 24.988 1.00 0.28 C ATOM 0 H VAL A 12 -14.671 -7.870 26.295 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.498 -5.471 27.596 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.959 -5.790 24.932 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.289 -4.111 24.194 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.208 -3.526 25.602 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.550 -4.137 25.813 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.824 -6.543 23.926 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.079 -6.586 25.541 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.405 -7.703 25.144 1.00 0.28 H new ATOM 189 N ASP A 13 -15.525 -4.188 28.211 1.00 0.20 N ATOM 190 CA ASP A 13 -16.770 -3.488 28.634 1.00 0.21 C ATOM 191 C ASP A 13 -17.139 -2.400 27.614 1.00 0.22 C ATOM 192 O ASP A 13 -16.586 -2.337 26.534 1.00 0.22 O ATOM 193 CB ASP A 13 -16.455 -2.895 30.014 1.00 0.21 C ATOM 194 CG ASP A 13 -15.884 -1.484 29.874 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.690 -1.361 29.671 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.653 -0.543 29.967 1.00 0.55 O ATOM 0 H ASP A 13 -14.662 -3.829 28.618 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.628 -4.158 28.686 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.361 -2.868 30.620 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.741 -3.532 30.536 1.00 0.21 H new ATOM 201 N GLU A 14 -18.148 -1.628 27.901 1.00 0.23 N ATOM 202 CA GLU A 14 -18.653 -0.648 26.894 1.00 0.26 C ATOM 203 C GLU A 14 -17.532 0.261 26.372 1.00 0.26 C ATOM 204 O GLU A 14 -17.529 0.641 25.218 1.00 0.29 O ATOM 205 CB GLU A 14 -19.702 0.177 27.641 1.00 0.28 C ATOM 206 CG GLU A 14 -20.366 1.157 26.672 1.00 1.22 C ATOM 207 CD GLU A 14 -21.238 0.383 25.681 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.669 -0.705 26.025 1.00 1.99 O ATOM 209 OE2 GLU A 14 -21.458 0.892 24.595 1.00 2.19 O ATOM 0 H GLU A 14 -18.647 -1.631 28.790 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.060 -1.154 26.019 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.452 -0.481 28.080 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.235 0.721 28.462 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -20.973 1.875 27.223 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -19.606 1.727 26.137 1.00 1.22 H new ATOM 216 N LEU A 15 -16.665 0.725 27.228 1.00 0.23 N ATOM 217 CA LEU A 15 -15.660 1.737 26.780 1.00 0.24 C ATOM 218 C LEU A 15 -14.421 1.071 26.170 1.00 0.22 C ATOM 219 O LEU A 15 -13.513 1.741 25.720 1.00 0.24 O ATOM 220 CB LEU A 15 -15.281 2.516 28.037 1.00 0.28 C ATOM 221 CG LEU A 15 -14.149 3.492 27.704 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.496 4.264 26.428 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.969 4.477 28.860 1.00 1.38 C ATOM 0 H LEU A 15 -16.606 0.453 28.209 1.00 0.23 H new ATOM 0 HA LEU A 15 -16.072 2.381 26.003 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.146 3.060 28.417 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.966 1.830 28.823 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.224 2.935 27.551 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.690 4.958 26.192 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.625 3.564 25.603 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.421 4.820 26.580 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.163 5.172 28.624 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.894 5.032 29.012 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.721 3.929 29.769 1.00 1.38 H new ATOM 235 N GLY A 16 -14.341 -0.230 26.187 1.00 0.21 N ATOM 236 CA GLY A 16 -13.120 -0.890 25.645 1.00 0.19 C ATOM 237 C GLY A 16 -12.001 -0.842 26.691 1.00 0.20 C ATOM 238 O GLY A 16 -10.880 -0.462 26.402 1.00 0.20 O ATOM 0 H GLY A 16 -15.058 -0.859 26.548 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.340 -1.924 25.381 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.799 -0.389 24.731 1.00 0.19 H new ATOM 242 N ARG A 17 -12.307 -1.171 27.915 1.00 0.24 N ATOM 243 CA ARG A 17 -11.275 -1.096 28.985 1.00 0.26 C ATOM 244 C ARG A 17 -10.987 -2.496 29.531 1.00 0.26 C ATOM 245 O ARG A 17 -11.817 -3.382 29.465 1.00 0.26 O ATOM 246 CB ARG A 17 -11.895 -0.209 30.065 1.00 0.28 C ATOM 247 CG ARG A 17 -12.069 1.209 29.519 1.00 0.28 C ATOM 248 CD ARG A 17 -12.654 2.111 30.607 1.00 0.29 C ATOM 249 NE ARG A 17 -14.041 1.614 30.813 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.912 2.352 31.452 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.555 3.507 31.946 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.141 1.937 31.597 1.00 1.15 N ATOM 0 H ARG A 17 -13.227 -1.488 28.220 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.327 -0.695 28.626 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.859 -0.613 30.373 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.258 -0.195 30.949 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.108 1.601 29.185 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.727 1.197 28.650 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -12.072 2.049 31.526 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.651 3.156 30.297 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.313 0.698 30.456 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.596 3.835 31.834 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.235 4.081 32.444 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.424 1.036 31.212 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.819 2.514 32.096 1.00 1.15 H new ATOM 266 N VAL A 18 -9.816 -2.704 30.065 1.00 0.26 N ATOM 267 CA VAL A 18 -9.473 -4.048 30.609 1.00 0.25 C ATOM 268 C VAL A 18 -9.040 -3.923 32.070 1.00 0.24 C ATOM 269 O VAL A 18 -8.597 -2.879 32.506 1.00 0.24 O ATOM 270 CB VAL A 18 -8.313 -4.543 29.746 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.719 -4.499 28.271 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.093 -3.646 29.965 1.00 0.26 C ATOM 0 H VAL A 18 -9.081 -2.001 30.148 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.319 -4.735 30.582 1.00 0.25 H new ATOM 0 HB VAL A 18 -8.065 -5.567 30.025 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.892 -4.852 27.655 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.587 -5.139 28.113 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.967 -3.475 27.992 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.266 -4.000 29.349 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.340 -2.621 29.687 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.802 -3.677 31.015 1.00 0.26 H new ATOM 282 N VAL A 19 -9.234 -4.951 32.847 1.00 0.22 N ATOM 283 CA VAL A 19 -8.914 -4.853 34.299 1.00 0.21 C ATOM 284 C VAL A 19 -7.725 -5.748 34.647 1.00 0.22 C ATOM 285 O VAL A 19 -7.685 -6.910 34.292 1.00 0.23 O ATOM 286 CB VAL A 19 -10.175 -5.338 35.012 1.00 0.22 C ATOM 287 CG1 VAL A 19 -10.036 -5.102 36.517 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.387 -4.570 34.482 1.00 0.24 C ATOM 0 H VAL A 19 -9.599 -5.853 32.541 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.640 -3.840 34.592 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.311 -6.403 34.825 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.936 -5.448 37.024 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.173 -5.652 36.893 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.899 -4.037 36.707 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.287 -4.915 34.990 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.252 -3.504 34.667 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.487 -4.742 33.410 1.00 0.24 H new ATOM 298 N ILE A 20 -6.801 -5.244 35.419 1.00 0.22 N ATOM 299 CA ILE A 20 -5.670 -6.098 35.878 1.00 0.24 C ATOM 300 C ILE A 20 -6.104 -6.910 37.104 1.00 0.24 C ATOM 301 O ILE A 20 -6.662 -6.368 38.031 1.00 0.23 O ATOM 302 CB ILE A 20 -4.558 -5.104 36.234 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.777 -4.744 34.969 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.604 -5.723 37.259 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.695 -4.001 33.996 1.00 1.38 C ATOM 0 H ILE A 20 -6.781 -4.280 35.751 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.341 -6.816 35.127 1.00 0.24 H new ATOM 0 HB ILE A 20 -5.006 -4.207 36.662 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.919 -4.122 35.223 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.387 -5.647 34.500 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.819 -5.008 37.504 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.157 -5.978 38.163 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.156 -6.625 36.841 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -4.138 -3.744 33.095 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.539 -4.639 33.732 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -5.063 -3.089 34.467 1.00 1.38 H new ATOM 317 N PRO A 21 -5.779 -8.174 37.091 1.00 0.28 N ATOM 318 CA PRO A 21 -6.086 -9.047 38.250 1.00 0.30 C ATOM 319 C PRO A 21 -5.413 -8.502 39.512 1.00 0.28 C ATOM 320 O PRO A 21 -4.329 -7.963 39.462 1.00 0.27 O ATOM 321 CB PRO A 21 -5.504 -10.410 37.863 1.00 0.35 C ATOM 322 CG PRO A 21 -4.627 -10.161 36.673 1.00 0.35 C ATOM 323 CD PRO A 21 -5.106 -8.897 36.013 1.00 0.32 C ATOM 0 HA PRO A 21 -7.153 -9.104 38.468 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.932 -10.838 38.686 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.296 -11.119 37.622 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.585 -10.063 36.979 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.677 -10.999 35.978 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.277 -8.321 35.602 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.786 -9.109 35.188 1.00 0.32 H new ATOM 331 N ILE A 22 -6.055 -8.617 40.643 1.00 0.30 N ATOM 332 CA ILE A 22 -5.452 -8.074 41.895 1.00 0.30 C ATOM 333 C ILE A 22 -4.059 -8.660 42.112 1.00 0.32 C ATOM 334 O ILE A 22 -3.182 -8.011 42.647 1.00 0.32 O ATOM 335 CB ILE A 22 -6.400 -8.510 43.013 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.052 -7.760 44.301 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.254 -10.015 43.247 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.305 -6.265 44.105 1.00 1.11 C ATOM 0 H ILE A 22 -6.966 -9.061 40.755 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.335 -6.991 41.859 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.427 -8.283 42.726 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.655 -8.136 45.128 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -5.008 -7.932 44.564 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.929 -10.327 44.044 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.502 -10.551 42.331 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.227 -10.241 43.533 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -6.057 -5.731 45.022 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.683 -5.895 43.290 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.355 -6.102 43.863 1.00 1.11 H new ATOM 350 N GLU A 23 -3.839 -9.871 41.695 1.00 0.36 N ATOM 351 CA GLU A 23 -2.490 -10.475 41.875 1.00 0.40 C ATOM 352 C GLU A 23 -1.438 -9.625 41.156 1.00 0.37 C ATOM 353 O GLU A 23 -0.328 -9.457 41.622 1.00 0.39 O ATOM 354 CB GLU A 23 -2.589 -11.858 41.227 1.00 0.44 C ATOM 355 CG GLU A 23 -3.596 -12.712 41.998 1.00 1.22 C ATOM 356 CD GLU A 23 -3.647 -14.115 41.391 1.00 1.62 C ATOM 357 OE1 GLU A 23 -3.057 -14.307 40.341 1.00 2.37 O ATOM 358 OE2 GLU A 23 -4.275 -14.975 41.988 1.00 2.01 O ATOM 0 H GLU A 23 -4.529 -10.468 41.239 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.196 -10.534 42.923 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.899 -11.762 40.186 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -1.612 -12.341 41.226 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -3.311 -12.769 43.049 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -4.583 -12.252 41.960 1.00 1.22 H new ATOM 365 N LEU A 24 -1.798 -9.052 40.041 1.00 0.34 N ATOM 366 CA LEU A 24 -0.845 -8.181 39.300 1.00 0.33 C ATOM 367 C LEU A 24 -0.847 -6.766 39.881 1.00 0.29 C ATOM 368 O LEU A 24 0.168 -6.105 39.912 1.00 0.29 O ATOM 369 CB LEU A 24 -1.347 -8.174 37.857 1.00 0.33 C ATOM 370 CG LEU A 24 -1.264 -9.589 37.282 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.648 -9.562 35.801 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.166 -10.113 37.426 1.00 1.75 C ATOM 0 H LEU A 24 -2.717 -9.151 39.609 1.00 0.34 H new ATOM 0 HA LEU A 24 0.180 -8.545 39.371 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.375 -7.815 37.820 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.748 -7.490 37.256 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.949 -10.242 37.823 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.589 -10.570 35.391 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.666 -9.187 35.696 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.963 -8.910 35.259 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.227 -11.121 37.017 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.849 -9.459 36.884 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.442 -10.132 38.480 1.00 1.75 H new ATOM 384 N ARG A 25 -1.949 -6.328 40.428 1.00 0.25 N ATOM 385 CA ARG A 25 -1.945 -4.994 41.094 1.00 0.23 C ATOM 386 C ARG A 25 -0.883 -4.986 42.190 1.00 0.25 C ATOM 387 O ARG A 25 -0.150 -4.031 42.354 1.00 0.25 O ATOM 388 CB ARG A 25 -3.335 -4.822 41.718 1.00 0.22 C ATOM 389 CG ARG A 25 -4.421 -4.835 40.640 1.00 0.21 C ATOM 390 CD ARG A 25 -5.762 -4.449 41.280 1.00 0.22 C ATOM 391 NE ARG A 25 -6.805 -4.951 40.347 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.030 -5.124 40.765 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.349 -4.845 42.001 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.939 -5.576 39.945 1.00 0.27 N ATOM 0 H ARG A 25 -2.839 -6.827 40.443 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.724 -4.190 40.392 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.518 -5.623 42.435 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.377 -3.884 42.271 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.169 -4.136 39.843 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.490 -5.824 40.187 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.870 -4.898 42.267 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.839 -3.370 41.411 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.563 -5.161 39.378 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.640 -4.491 42.643 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.307 -4.981 42.324 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.692 -5.793 38.980 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.896 -5.712 40.270 1.00 0.27 H new ATOM 408 N ARG A 26 -0.817 -6.036 42.960 1.00 0.29 N ATOM 409 CA ARG A 26 0.175 -6.083 44.073 1.00 0.33 C ATOM 410 C ARG A 26 1.597 -6.246 43.525 1.00 0.35 C ATOM 411 O ARG A 26 2.506 -5.536 43.906 1.00 0.35 O ATOM 412 CB ARG A 26 -0.218 -7.310 44.897 1.00 0.37 C ATOM 413 CG ARG A 26 0.677 -7.403 46.134 1.00 1.07 C ATOM 414 CD ARG A 26 0.326 -8.666 46.924 1.00 1.25 C ATOM 415 NE ARG A 26 1.164 -8.596 48.152 1.00 1.85 N ATOM 416 CZ ARG A 26 0.973 -9.446 49.126 1.00 2.32 C ATOM 417 NH1 ARG A 26 0.046 -10.362 49.027 1.00 2.40 N ATOM 418 NH2 ARG A 26 1.711 -9.382 50.201 1.00 3.26 N ATOM 0 H ARG A 26 -1.406 -6.864 42.868 1.00 0.29 H new ATOM 0 HA ARG A 26 0.169 -5.167 44.663 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -1.264 -7.240 45.196 1.00 0.37 H new ATOM 0 HB3 ARG A 26 -0.118 -8.213 44.294 1.00 0.37 H new ATOM 0 HG2 ARG A 26 1.725 -7.427 45.837 1.00 1.07 H new ATOM 0 HG3 ARG A 26 0.543 -6.521 46.760 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.735 -8.695 47.171 1.00 1.25 H new ATOM 0 HD3 ARG A 26 0.544 -9.565 46.348 1.00 1.25 H new ATOM 0 HE ARG A 26 1.889 -7.883 48.234 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -0.531 -10.415 48.188 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -0.100 -11.024 49.789 1.00 2.40 H new ATOM 0 HH21 ARG A 26 2.436 -8.669 50.280 1.00 3.26 H new ATOM 0 HH22 ARG A 26 1.563 -10.045 50.962 1.00 3.26 H new ATOM 432 N THR A 27 1.801 -7.198 42.657 1.00 0.37 N ATOM 433 CA THR A 27 3.173 -7.445 42.121 1.00 0.41 C ATOM 434 C THR A 27 3.681 -6.237 41.330 1.00 0.39 C ATOM 435 O THR A 27 4.869 -5.988 41.262 1.00 0.42 O ATOM 436 CB THR A 27 3.028 -8.662 41.204 1.00 0.44 C ATOM 437 OG1 THR A 27 2.466 -9.744 41.936 1.00 0.61 O ATOM 438 CG2 THR A 27 4.401 -9.065 40.667 1.00 0.77 C ATOM 0 H THR A 27 1.077 -7.818 42.294 1.00 0.37 H new ATOM 0 HA THR A 27 3.894 -7.614 42.921 1.00 0.41 H new ATOM 0 HB THR A 27 2.374 -8.411 40.369 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.489 -9.718 41.860 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.296 -9.932 40.014 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.829 -8.236 40.104 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.058 -9.315 41.500 1.00 0.77 H new ATOM 446 N LEU A 28 2.806 -5.519 40.686 1.00 0.35 N ATOM 447 CA LEU A 28 3.264 -4.375 39.847 1.00 0.34 C ATOM 448 C LEU A 28 3.355 -3.092 40.681 1.00 0.32 C ATOM 449 O LEU A 28 3.811 -2.070 40.209 1.00 0.33 O ATOM 450 CB LEU A 28 2.201 -4.237 38.755 1.00 0.32 C ATOM 451 CG LEU A 28 2.698 -3.268 37.681 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.821 -3.928 36.876 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.542 -2.914 36.742 1.00 1.05 C ATOM 0 H LEU A 28 1.798 -5.672 40.703 1.00 0.35 H new ATOM 0 HA LEU A 28 4.258 -4.543 39.432 1.00 0.34 H new ATOM 0 HB2 LEU A 28 1.990 -5.211 38.312 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.268 -3.873 39.185 1.00 0.32 H new ATOM 0 HG LEU A 28 3.075 -2.362 38.156 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.175 -3.237 36.111 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.645 -4.184 37.543 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.444 -4.834 36.401 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.894 -2.223 35.976 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.167 -3.821 36.268 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.740 -2.445 37.313 1.00 1.05 H new ATOM 465 N GLY A 29 2.947 -3.137 41.920 1.00 0.32 N ATOM 466 CA GLY A 29 3.037 -1.918 42.773 1.00 0.32 C ATOM 467 C GLY A 29 2.123 -0.829 42.212 1.00 0.29 C ATOM 468 O GLY A 29 2.500 0.323 42.121 1.00 0.29 O ATOM 0 H GLY A 29 2.557 -3.961 42.377 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.749 -2.157 43.797 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.066 -1.561 42.807 1.00 0.32 H new ATOM 472 N ILE A 30 0.939 -1.185 41.809 1.00 0.27 N ATOM 473 CA ILE A 30 0.016 -0.169 41.220 1.00 0.24 C ATOM 474 C ILE A 30 -1.231 -0.002 42.089 1.00 0.23 C ATOM 475 O ILE A 30 -1.771 -0.953 42.619 1.00 0.26 O ATOM 476 CB ILE A 30 -0.359 -0.711 39.844 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.909 -0.903 39.009 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.286 0.281 39.139 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.724 0.394 39.015 1.00 0.29 C ATOM 0 H ILE A 30 0.567 -2.133 41.860 1.00 0.27 H new ATOM 0 HA ILE A 30 0.486 0.812 41.156 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.869 -1.667 39.958 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.504 -1.721 39.414 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.647 -1.176 37.987 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.554 -0.107 38.156 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.190 0.420 39.733 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.776 1.238 39.025 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.628 0.259 38.421 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.127 1.201 38.589 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.998 0.647 40.039 1.00 0.29 H new ATOM 491 N ALA A 31 -1.663 1.212 42.264 1.00 0.22 N ATOM 492 CA ALA A 31 -2.846 1.483 43.129 1.00 0.23 C ATOM 493 C ALA A 31 -3.698 2.599 42.520 1.00 0.20 C ATOM 494 O ALA A 31 -3.277 3.290 41.614 1.00 0.18 O ATOM 495 CB ALA A 31 -2.262 1.937 44.465 1.00 0.23 C ATOM 0 H ALA A 31 -1.243 2.040 41.841 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.488 0.608 43.236 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.072 2.157 45.160 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.636 1.145 44.876 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.661 2.833 44.313 1.00 0.23 H new ATOM 501 N GLU A 32 -4.891 2.785 43.009 1.00 0.22 N ATOM 502 CA GLU A 32 -5.763 3.858 42.454 1.00 0.21 C ATOM 503 C GLU A 32 -5.030 5.205 42.462 1.00 0.19 C ATOM 504 O GLU A 32 -4.265 5.499 43.356 1.00 0.20 O ATOM 505 CB GLU A 32 -6.973 3.907 43.388 1.00 0.25 C ATOM 506 CG GLU A 32 -7.999 4.901 42.841 1.00 0.27 C ATOM 507 CD GLU A 32 -9.156 5.039 43.831 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.115 4.379 44.856 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.064 5.803 43.547 1.00 1.13 O ATOM 0 H GLU A 32 -5.301 2.241 43.769 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.047 3.659 41.421 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.420 2.917 43.474 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.661 4.204 44.389 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.529 5.871 42.677 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.372 4.560 41.875 1.00 0.27 H new ATOM 516 N LYS A 33 -5.310 6.038 41.493 1.00 0.19 N ATOM 517 CA LYS A 33 -4.699 7.406 41.442 1.00 0.20 C ATOM 518 C LYS A 33 -3.228 7.339 41.009 1.00 0.18 C ATOM 519 O LYS A 33 -2.615 8.351 40.732 1.00 0.21 O ATOM 520 CB LYS A 33 -4.812 7.965 42.864 1.00 0.23 C ATOM 521 CG LYS A 33 -4.631 9.484 42.828 1.00 0.29 C ATOM 522 CD LYS A 33 -4.676 10.037 44.254 1.00 0.87 C ATOM 523 CE LYS A 33 -4.655 11.566 44.211 1.00 1.35 C ATOM 524 NZ LYS A 33 -5.540 11.995 45.330 1.00 1.88 N ATOM 0 H LYS A 33 -5.945 5.828 40.723 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.209 8.038 40.715 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.783 7.713 43.290 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.056 7.513 43.506 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.680 9.737 42.358 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.416 9.940 42.225 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.576 9.690 44.762 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -3.825 9.667 44.826 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -3.643 11.951 44.338 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.020 11.939 43.254 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -5.576 13.034 45.365 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -6.498 11.620 45.178 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -5.164 11.631 46.229 1.00 1.88 H new ATOM 538 N ASP A 34 -2.685 6.162 40.846 1.00 0.16 N ATOM 539 CA ASP A 34 -1.295 6.061 40.311 1.00 0.16 C ATOM 540 C ASP A 34 -1.299 6.283 38.798 1.00 0.19 C ATOM 541 O ASP A 34 -2.338 6.304 38.170 1.00 0.20 O ATOM 542 CB ASP A 34 -0.836 4.647 40.651 1.00 0.17 C ATOM 543 CG ASP A 34 -0.545 4.559 42.148 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.580 5.587 42.803 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.293 3.462 42.614 1.00 1.08 O ATOM 0 H ASP A 34 -3.138 5.273 41.058 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.630 6.811 40.740 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.605 3.926 40.375 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.057 4.395 40.079 1.00 0.17 H new ATOM 550 N ALA A 35 -0.153 6.518 38.218 1.00 0.22 N ATOM 551 CA ALA A 35 -0.109 6.822 36.758 1.00 0.28 C ATOM 552 C ALA A 35 0.405 5.615 35.968 1.00 0.20 C ATOM 553 O ALA A 35 1.451 5.069 36.257 1.00 0.16 O ATOM 554 CB ALA A 35 0.860 7.998 36.631 1.00 0.36 C ATOM 0 H ALA A 35 0.752 6.513 38.689 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.096 7.056 36.359 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.949 8.285 35.583 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.484 8.843 37.208 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.839 7.706 37.012 1.00 0.36 H new ATOM 560 N LEU A 36 -0.283 5.253 34.919 1.00 0.24 N ATOM 561 CA LEU A 36 0.204 4.150 34.042 1.00 0.21 C ATOM 562 C LEU A 36 0.663 4.726 32.701 1.00 0.20 C ATOM 563 O LEU A 36 -0.035 5.513 32.097 1.00 0.23 O ATOM 564 CB LEU A 36 -1.012 3.250 33.820 1.00 0.34 C ATOM 565 CG LEU A 36 -1.696 2.953 35.153 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.106 2.427 34.881 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.896 1.894 35.915 1.00 0.56 C ATOM 0 H LEU A 36 -1.165 5.676 34.631 1.00 0.24 H new ATOM 0 HA LEU A 36 1.042 3.612 34.484 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.714 3.735 33.142 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.703 2.319 33.346 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.749 3.863 35.751 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.603 2.212 35.827 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.676 3.179 34.335 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.046 1.515 34.287 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.385 1.683 36.866 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.845 0.980 35.323 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.113 2.263 36.100 1.00 0.56 H new ATOM 579 N GLU A 37 1.734 4.225 32.152 1.00 0.19 N ATOM 580 CA GLU A 37 2.101 4.638 30.769 1.00 0.21 C ATOM 581 C GLU A 37 1.741 3.520 29.789 1.00 0.19 C ATOM 582 O GLU A 37 1.834 2.350 30.106 1.00 0.20 O ATOM 583 CB GLU A 37 3.610 4.877 30.797 1.00 0.25 C ATOM 584 CG GLU A 37 4.067 5.413 29.440 1.00 0.26 C ATOM 585 CD GLU A 37 5.589 5.557 29.434 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.201 5.224 30.436 1.00 1.17 O ATOM 587 OE2 GLU A 37 6.119 5.999 28.428 1.00 1.08 O ATOM 0 H GLU A 37 2.364 3.556 32.594 1.00 0.19 H new ATOM 0 HA GLU A 37 1.569 5.533 30.447 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.862 5.588 31.584 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.132 3.948 31.027 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.752 4.737 28.645 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.599 6.377 29.242 1.00 0.26 H new ATOM 594 N ILE A 38 1.204 3.875 28.657 1.00 0.21 N ATOM 595 CA ILE A 38 0.685 2.843 27.717 1.00 0.20 C ATOM 596 C ILE A 38 1.549 2.783 26.457 1.00 0.20 C ATOM 597 O ILE A 38 1.911 3.796 25.885 1.00 0.24 O ATOM 598 CB ILE A 38 -0.731 3.301 27.372 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.547 3.451 28.659 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.397 2.265 26.465 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.922 4.033 28.327 1.00 0.84 C ATOM 0 H ILE A 38 1.101 4.839 28.340 1.00 0.21 H new ATOM 0 HA ILE A 38 0.699 1.845 28.155 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.686 4.260 26.856 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.658 2.482 29.146 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.024 4.102 29.360 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.407 2.592 26.219 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.817 2.158 25.548 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.442 1.306 26.980 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.503 4.140 29.243 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.800 5.010 27.859 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.444 3.365 27.642 1.00 0.84 H new ATOM 613 N TYR A 39 1.906 1.595 26.054 1.00 0.19 N ATOM 614 CA TYR A 39 2.786 1.416 24.866 1.00 0.21 C ATOM 615 C TYR A 39 2.024 0.707 23.746 1.00 0.20 C ATOM 616 O TYR A 39 1.089 -0.028 23.995 1.00 0.20 O ATOM 617 CB TYR A 39 3.911 0.517 25.365 1.00 0.24 C ATOM 618 CG TYR A 39 4.910 1.316 26.153 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.507 2.021 27.290 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.243 1.336 25.750 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.447 2.752 28.028 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.185 2.065 26.483 1.00 0.36 C ATOM 623 CZ TYR A 39 6.788 2.773 27.625 1.00 0.39 C ATOM 624 OH TYR A 39 7.716 3.494 28.349 1.00 0.45 O ATOM 0 H TYR A 39 1.620 0.726 26.506 1.00 0.19 H new ATOM 0 HA TYR A 39 3.143 2.365 24.467 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.501 -0.279 25.987 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.405 0.038 24.519 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.472 2.002 27.599 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.549 0.788 24.871 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.138 3.299 28.907 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.218 2.082 26.169 1.00 0.36 H new ATOM 0 HH TYR A 39 8.599 3.401 27.934 1.00 0.45 H new ATOM 634 N VAL A 40 2.495 0.810 22.535 1.00 0.21 N ATOM 635 CA VAL A 40 1.871 0.017 21.437 1.00 0.22 C ATOM 636 C VAL A 40 2.942 -0.660 20.578 1.00 0.22 C ATOM 637 O VAL A 40 3.715 -0.008 19.904 1.00 0.23 O ATOM 638 CB VAL A 40 1.088 1.035 20.608 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.488 0.341 19.384 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.037 1.623 21.462 1.00 0.27 C ATOM 0 H VAL A 40 3.278 1.403 22.258 1.00 0.21 H new ATOM 0 HA VAL A 40 1.233 -0.778 21.823 1.00 0.22 H new ATOM 0 HB VAL A 40 1.756 1.833 20.282 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.071 1.066 18.792 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.288 -0.083 18.778 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.182 -0.455 19.709 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.598 2.350 20.874 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.705 0.824 21.784 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.389 2.115 22.336 1.00 0.27 H new ATOM 650 N ASP A 41 2.947 -1.965 20.544 1.00 0.21 N ATOM 651 CA ASP A 41 3.911 -2.686 19.663 1.00 0.22 C ATOM 652 C ASP A 41 3.287 -3.991 19.160 1.00 0.25 C ATOM 653 O ASP A 41 2.429 -4.556 19.800 1.00 0.27 O ATOM 654 CB ASP A 41 5.127 -2.973 20.547 1.00 0.20 C ATOM 655 CG ASP A 41 4.824 -4.143 21.484 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.682 -4.269 21.893 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.739 -4.896 21.772 1.00 1.69 O ATOM 0 H ASP A 41 2.325 -2.563 21.088 1.00 0.21 H new ATOM 0 HA ASP A 41 4.183 -2.103 18.783 1.00 0.22 H new ATOM 0 HB2 ASP A 41 5.992 -3.207 19.926 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.382 -2.087 21.128 1.00 0.20 H new ATOM 662 N ASP A 42 3.803 -4.542 18.099 1.00 0.27 N ATOM 663 CA ASP A 42 3.340 -5.888 17.652 1.00 0.33 C ATOM 664 C ASP A 42 1.813 -6.014 17.749 1.00 0.33 C ATOM 665 O ASP A 42 1.292 -7.059 18.087 1.00 0.37 O ATOM 666 CB ASP A 42 4.021 -6.865 18.606 1.00 0.38 C ATOM 667 CG ASP A 42 3.610 -8.297 18.255 1.00 0.45 C ATOM 668 OD1 ASP A 42 4.225 -8.868 17.370 1.00 1.22 O ATOM 669 OD2 ASP A 42 2.687 -8.798 18.877 1.00 1.14 O ATOM 0 H ASP A 42 4.528 -4.119 17.519 1.00 0.27 H new ATOM 0 HA ASP A 42 3.591 -6.078 16.609 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.104 -6.760 18.538 1.00 0.38 H new ATOM 0 HB3 ASP A 42 3.742 -6.638 19.635 1.00 0.38 H new ATOM 674 N GLU A 43 1.093 -4.994 17.372 1.00 0.30 N ATOM 675 CA GLU A 43 -0.399 -5.097 17.344 1.00 0.31 C ATOM 676 C GLU A 43 -0.940 -5.475 18.725 1.00 0.30 C ATOM 677 O GLU A 43 -2.102 -5.796 18.879 1.00 0.31 O ATOM 678 CB GLU A 43 -0.702 -6.200 16.329 1.00 0.35 C ATOM 679 CG GLU A 43 -0.197 -5.776 14.947 1.00 1.17 C ATOM 680 CD GLU A 43 -0.915 -4.498 14.511 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.939 -4.187 15.098 1.00 1.68 O ATOM 682 OE2 GLU A 43 -0.429 -3.851 13.597 1.00 1.93 O ATOM 0 H GLU A 43 1.470 -4.092 17.081 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.868 -4.151 17.073 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.223 -7.130 16.633 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -1.775 -6.391 16.293 1.00 0.35 H new ATOM 0 HG2 GLU A 43 0.880 -5.609 14.977 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -0.376 -6.571 14.223 1.00 1.17 H new ATOM 689 N LYS A 44 -0.138 -5.342 19.741 1.00 0.29 N ATOM 690 CA LYS A 44 -0.640 -5.588 21.124 1.00 0.30 C ATOM 691 C LYS A 44 -0.245 -4.424 22.036 1.00 0.27 C ATOM 692 O LYS A 44 0.541 -3.575 21.667 1.00 0.26 O ATOM 693 CB LYS A 44 0.030 -6.887 21.579 1.00 0.34 C ATOM 694 CG LYS A 44 1.526 -6.652 21.794 1.00 1.29 C ATOM 695 CD LYS A 44 2.204 -7.974 22.159 1.00 1.23 C ATOM 696 CE LYS A 44 3.616 -7.698 22.682 1.00 1.90 C ATOM 697 NZ LYS A 44 4.178 -9.041 22.992 1.00 2.01 N ATOM 0 H LYS A 44 0.844 -5.074 19.677 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.726 -5.669 21.160 1.00 0.30 H new ATOM 0 HB2 LYS A 44 -0.428 -7.239 22.503 1.00 0.34 H new ATOM 0 HB3 LYS A 44 -0.121 -7.666 20.832 1.00 0.34 H new ATOM 0 HG2 LYS A 44 1.974 -6.239 20.890 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.680 -5.921 22.588 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.620 -8.497 22.916 1.00 1.23 H new ATOM 0 HD3 LYS A 44 2.249 -8.625 21.286 1.00 1.23 H new ATOM 0 HE2 LYS A 44 4.219 -7.180 21.937 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.592 -7.065 23.569 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 4.794 -8.975 23.828 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.402 -9.706 23.185 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 4.732 -9.382 22.180 1.00 2.01 H new ATOM 711 N ILE A 45 -0.875 -4.309 23.172 1.00 0.28 N ATOM 712 CA ILE A 45 -0.635 -3.119 24.039 1.00 0.27 C ATOM 713 C ILE A 45 0.255 -3.492 25.228 1.00 0.27 C ATOM 714 O ILE A 45 0.016 -4.466 25.910 1.00 0.29 O ATOM 715 CB ILE A 45 -2.023 -2.712 24.528 1.00 0.30 C ATOM 716 CG1 ILE A 45 -2.941 -2.490 23.325 1.00 0.34 C ATOM 717 CG2 ILE A 45 -1.920 -1.416 25.335 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.390 -2.390 23.803 1.00 1.25 C ATOM 0 H ILE A 45 -1.545 -4.986 23.538 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.128 -2.316 23.504 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.432 -3.501 25.158 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -2.656 -1.578 22.800 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.836 -3.312 22.617 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -2.911 -1.125 25.684 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.265 -1.572 26.192 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.511 -0.626 24.705 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.046 -2.232 22.947 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.671 -3.314 24.309 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.488 -1.553 24.495 1.00 1.25 H new ATOM 730 N ILE A 46 1.236 -2.681 25.521 1.00 0.26 N ATOM 731 CA ILE A 46 2.093 -2.940 26.715 1.00 0.29 C ATOM 732 C ILE A 46 1.877 -1.850 27.769 1.00 0.29 C ATOM 733 O ILE A 46 2.138 -0.690 27.536 1.00 0.31 O ATOM 734 CB ILE A 46 3.525 -2.900 26.180 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.769 -4.128 25.306 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.518 -2.888 27.345 1.00 0.37 C ATOM 737 CD1 ILE A 46 4.845 -3.804 24.273 1.00 0.50 C ATOM 0 H ILE A 46 1.481 -1.849 24.984 1.00 0.26 H new ATOM 0 HA ILE A 46 1.862 -3.890 27.196 1.00 0.29 H new ATOM 0 HB ILE A 46 3.666 -1.996 25.588 1.00 0.32 H new ATOM 0 HG12 ILE A 46 4.082 -4.971 25.922 1.00 0.44 H new ATOM 0 HG13 ILE A 46 2.846 -4.423 24.807 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.536 -2.860 26.955 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.342 -2.008 27.964 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.385 -3.788 27.946 1.00 0.37 H new ATOM 0 HD11 ILE A 46 5.023 -4.678 23.646 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.513 -2.973 23.651 1.00 0.50 H new ATOM 0 HD13 ILE A 46 5.768 -3.530 24.783 1.00 0.50 H new ATOM 749 N LEU A 47 1.427 -2.220 28.935 1.00 0.28 N ATOM 750 CA LEU A 47 1.226 -1.208 30.012 1.00 0.29 C ATOM 751 C LEU A 47 2.293 -1.378 31.095 1.00 0.31 C ATOM 752 O LEU A 47 2.590 -2.477 31.517 1.00 0.39 O ATOM 753 CB LEU A 47 -0.157 -1.498 30.589 1.00 0.34 C ATOM 754 CG LEU A 47 -1.207 -1.433 29.478 1.00 0.90 C ATOM 755 CD1 LEU A 47 -1.173 -2.726 28.661 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.594 -1.264 30.102 1.00 1.24 C ATOM 0 H LEU A 47 1.189 -3.179 29.190 1.00 0.28 H new ATOM 0 HA LEU A 47 1.303 -0.189 29.633 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.167 -2.484 31.054 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.395 -0.775 31.369 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.992 -0.587 28.825 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.922 -2.677 27.871 1.00 1.66 H new ATOM 0 HD12 LEU A 47 -0.185 -2.850 28.218 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.388 -3.573 29.312 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.345 -1.217 29.313 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.805 -2.111 30.754 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.621 -0.343 30.684 1.00 1.24 H new ATOM 768 N LYS A 48 2.876 -0.302 31.536 1.00 0.29 N ATOM 769 CA LYS A 48 3.937 -0.401 32.580 1.00 0.35 C ATOM 770 C LYS A 48 3.802 0.745 33.584 1.00 0.28 C ATOM 771 O LYS A 48 3.194 1.757 33.302 1.00 0.25 O ATOM 772 CB LYS A 48 5.256 -0.291 31.815 1.00 0.47 C ATOM 773 CG LYS A 48 5.313 1.048 31.077 1.00 0.65 C ATOM 774 CD LYS A 48 6.623 1.143 30.293 1.00 0.85 C ATOM 775 CE LYS A 48 6.606 0.130 29.146 1.00 1.54 C ATOM 776 NZ LYS A 48 7.384 -1.035 29.652 1.00 1.74 N ATOM 0 H LYS A 48 2.665 0.645 31.220 1.00 0.29 H new ATOM 0 HA LYS A 48 3.871 -1.329 33.148 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.096 -0.373 32.505 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.345 -1.113 31.105 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.464 1.138 30.399 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.242 1.871 31.788 1.00 0.65 H new ATOM 0 HD2 LYS A 48 6.752 2.151 29.900 1.00 0.85 H new ATOM 0 HD3 LYS A 48 7.469 0.948 30.952 1.00 0.85 H new ATOM 0 HE2 LYS A 48 5.587 -0.158 28.888 1.00 1.54 H new ATOM 0 HE3 LYS A 48 7.058 0.546 28.245 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.155 -1.252 28.988 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 7.784 -0.807 30.584 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 6.757 -1.861 29.737 1.00 1.74 H new ATOM 790 N LYS A 49 4.426 0.629 34.724 1.00 0.28 N ATOM 791 CA LYS A 49 4.394 1.755 35.700 1.00 0.25 C ATOM 792 C LYS A 49 4.895 3.033 35.031 1.00 0.22 C ATOM 793 O LYS A 49 5.683 2.994 34.107 1.00 0.24 O ATOM 794 CB LYS A 49 5.334 1.338 36.829 1.00 0.29 C ATOM 795 CG LYS A 49 5.314 2.400 37.930 1.00 0.30 C ATOM 796 CD LYS A 49 6.309 2.017 39.027 1.00 0.54 C ATOM 797 CE LYS A 49 6.189 3.003 40.192 1.00 1.08 C ATOM 798 NZ LYS A 49 5.431 2.266 41.242 1.00 1.65 N ATOM 0 H LYS A 49 4.954 -0.192 35.021 1.00 0.28 H new ATOM 0 HA LYS A 49 3.388 1.955 36.069 1.00 0.25 H new ATOM 0 HB2 LYS A 49 5.027 0.374 37.234 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.347 1.215 36.446 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.572 3.374 37.515 1.00 0.30 H new ATOM 0 HG3 LYS A 49 4.311 2.487 38.348 1.00 0.30 H new ATOM 0 HD2 LYS A 49 6.112 1.003 39.373 1.00 0.54 H new ATOM 0 HD3 LYS A 49 7.325 2.027 38.631 1.00 0.54 H new ATOM 0 HE2 LYS A 49 7.171 3.308 40.554 1.00 1.08 H new ATOM 0 HE3 LYS A 49 5.665 3.910 39.890 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 5.308 2.877 42.075 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 4.498 1.994 40.871 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 5.957 1.411 41.515 1.00 1.65 H new ATOM 812 N TYR A 50 4.383 4.158 35.433 1.00 0.20 N ATOM 813 CA TYR A 50 4.764 5.429 34.752 1.00 0.21 C ATOM 814 C TYR A 50 5.800 6.192 35.579 1.00 0.22 C ATOM 815 O TYR A 50 5.553 6.572 36.706 1.00 0.22 O ATOM 816 CB TYR A 50 3.463 6.230 34.646 1.00 0.20 C ATOM 817 CG TYR A 50 3.718 7.532 33.918 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.887 7.702 33.163 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.784 8.571 33.999 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.119 8.906 32.493 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.017 9.777 33.327 1.00 0.28 C ATOM 822 CZ TYR A 50 4.185 9.945 32.574 1.00 0.30 C ATOM 823 OH TYR A 50 4.414 11.134 31.912 1.00 0.35 O ATOM 0 H TYR A 50 3.719 4.256 36.201 1.00 0.20 H new ATOM 0 HA TYR A 50 5.214 5.250 33.775 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.710 5.648 34.115 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.067 6.431 35.642 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.609 6.901 33.099 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.883 8.442 34.580 1.00 0.24 H new ATOM 0 HE1 TYR A 50 6.020 9.035 31.912 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.295 10.578 33.390 1.00 0.28 H new ATOM 0 HH TYR A 50 3.666 11.747 32.073 1.00 0.35 H new ATOM 833 N LYS A 51 6.937 6.473 35.001 1.00 0.25 N ATOM 834 CA LYS A 51 7.961 7.279 35.723 1.00 0.29 C ATOM 835 C LYS A 51 7.896 8.737 35.258 1.00 0.32 C ATOM 836 O LYS A 51 8.024 9.018 34.083 1.00 0.35 O ATOM 837 CB LYS A 51 9.302 6.654 35.339 1.00 0.33 C ATOM 838 CG LYS A 51 9.281 5.159 35.669 1.00 1.43 C ATOM 839 CD LYS A 51 10.244 4.878 36.823 1.00 1.91 C ATOM 840 CE LYS A 51 10.467 3.369 36.947 1.00 2.76 C ATOM 841 NZ LYS A 51 10.369 3.084 38.406 1.00 3.21 N ATOM 0 H LYS A 51 7.200 6.179 34.060 1.00 0.25 H new ATOM 0 HA LYS A 51 7.808 7.277 36.802 1.00 0.29 H new ATOM 0 HB2 LYS A 51 9.492 6.800 34.276 1.00 0.33 H new ATOM 0 HB3 LYS A 51 10.112 7.145 35.878 1.00 0.33 H new ATOM 0 HG2 LYS A 51 8.272 4.850 35.940 1.00 1.43 H new ATOM 0 HG3 LYS A 51 9.568 4.578 34.792 1.00 1.43 H new ATOM 0 HD2 LYS A 51 11.194 5.383 36.649 1.00 1.91 H new ATOM 0 HD3 LYS A 51 9.838 5.274 37.754 1.00 1.91 H new ATOM 0 HE2 LYS A 51 9.718 2.812 36.385 1.00 2.76 H new ATOM 0 HE3 LYS A 51 11.441 3.080 36.553 1.00 2.76 H new ATOM 0 HZ1 LYS A 51 10.511 2.067 38.571 1.00 3.21 H new ATOM 0 HZ2 LYS A 51 11.099 3.623 38.915 1.00 3.21 H new ATOM 0 HZ3 LYS A 51 9.429 3.363 38.752 1.00 3.21 H new ATOM 855 N PRO A 52 7.698 9.621 36.197 1.00 0.33 N ATOM 856 CA PRO A 52 7.615 11.066 35.870 1.00 0.39 C ATOM 857 C PRO A 52 8.945 11.554 35.285 1.00 0.46 C ATOM 858 O PRO A 52 10.005 11.094 35.660 1.00 0.48 O ATOM 859 CB PRO A 52 7.332 11.740 37.214 1.00 0.41 C ATOM 860 CG PRO A 52 7.678 10.725 38.259 1.00 0.40 C ATOM 861 CD PRO A 52 7.535 9.365 37.629 1.00 0.33 C ATOM 0 HA PRO A 52 6.849 11.289 35.127 1.00 0.39 H new ATOM 0 HB2 PRO A 52 7.931 12.643 37.332 1.00 0.41 H new ATOM 0 HB3 PRO A 52 6.286 12.038 37.290 1.00 0.41 H new ATOM 0 HG2 PRO A 52 8.696 10.876 38.619 1.00 0.40 H new ATOM 0 HG3 PRO A 52 7.017 10.820 39.121 1.00 0.40 H new ATOM 0 HD2 PRO A 52 8.290 8.672 37.999 1.00 0.33 H new ATOM 0 HD3 PRO A 52 6.563 8.924 37.848 1.00 0.33 H new ATOM 869 N ASN A 53 8.896 12.483 34.369 1.00 0.61 N ATOM 870 CA ASN A 53 10.156 12.997 33.763 1.00 0.71 C ATOM 871 C ASN A 53 11.018 13.677 34.829 1.00 1.19 C ATOM 872 O ASN A 53 11.642 14.677 34.510 1.00 1.61 O ATOM 873 CB ASN A 53 9.705 14.009 32.709 1.00 1.36 C ATOM 874 CG ASN A 53 9.213 15.284 33.400 1.00 1.76 C ATOM 875 OD1 ASN A 53 8.967 15.287 34.589 1.00 2.14 O ATOM 876 ND2 ASN A 53 9.060 16.373 32.699 1.00 2.41 N ATOM 877 OXT ASN A 53 11.040 13.187 35.946 1.00 1.98 O ATOM 0 H ASN A 53 8.039 12.907 34.015 1.00 0.61 H new ATOM 0 HA ASN A 53 10.760 12.200 33.329 1.00 0.71 H new ATOM 0 HB2 ASN A 53 10.531 14.243 32.037 1.00 1.36 H new ATOM 0 HB3 ASN A 53 8.909 13.583 32.099 1.00 1.36 H new ATOM 0 HD21 ASN A 53 8.734 17.228 33.150 1.00 2.41 H new ATOM 0 HD22 ASN A 53 9.267 16.370 31.700 1.00 2.41 H new TER 884 ASN A 53 ATOM 885 N PHE B 2 14.226 3.169 17.677 1.00 9.08 N ATOM 886 CA PHE B 2 14.127 1.923 16.864 1.00 8.67 C ATOM 887 C PHE B 2 12.708 1.353 16.943 1.00 7.72 C ATOM 888 O PHE B 2 12.153 0.904 15.960 1.00 7.64 O ATOM 889 CB PHE B 2 15.130 0.957 17.496 1.00 9.22 C ATOM 890 CG PHE B 2 15.224 -0.293 16.654 1.00 10.46 C ATOM 891 CD1 PHE B 2 16.085 -0.331 15.550 1.00 10.89 C ATOM 892 CD2 PHE B 2 14.450 -1.414 16.976 1.00 10.87 C ATOM 893 CE1 PHE B 2 16.172 -1.489 14.770 1.00 11.66 C ATOM 894 CE2 PHE B 2 14.537 -2.573 16.195 1.00 11.64 C ATOM 895 CZ PHE B 2 15.398 -2.611 15.092 1.00 11.60 C ATOM 0 HA PHE B 2 14.340 2.099 15.810 1.00 8.67 H new ATOM 0 HB2 PHE B 2 16.109 1.431 17.573 1.00 9.22 H new ATOM 0 HB3 PHE B 2 14.818 0.703 18.509 1.00 9.22 H new ATOM 0 HD1 PHE B 2 16.682 0.534 15.301 1.00 10.89 H new ATOM 0 HD2 PHE B 2 13.786 -1.385 17.827 1.00 10.87 H new ATOM 0 HE1 PHE B 2 16.836 -1.518 13.919 1.00 11.66 H new ATOM 0 HE2 PHE B 2 13.940 -3.438 16.444 1.00 11.64 H new ATOM 0 HZ PHE B 2 15.465 -3.505 14.490 1.00 11.60 H new ATOM 905 N MET B 3 12.113 1.376 18.104 1.00 7.25 N ATOM 906 CA MET B 3 10.726 0.845 18.243 1.00 6.59 C ATOM 907 C MET B 3 9.727 2.000 18.351 1.00 5.73 C ATOM 908 O MET B 3 10.017 3.032 18.924 1.00 5.45 O ATOM 909 CB MET B 3 10.743 0.028 19.535 1.00 6.98 C ATOM 910 CG MET B 3 11.683 -1.168 19.371 1.00 7.76 C ATOM 911 SD MET B 3 11.598 -2.209 20.849 1.00 8.62 S ATOM 912 CE MET B 3 12.893 -3.382 20.374 1.00 8.70 C ATOM 0 H MET B 3 12.527 1.739 18.963 1.00 7.25 H new ATOM 0 HA MET B 3 10.425 0.244 17.385 1.00 6.59 H new ATOM 0 HB2 MET B 3 11.072 0.651 20.367 1.00 6.98 H new ATOM 0 HB3 MET B 3 9.737 -0.317 19.773 1.00 6.98 H new ATOM 0 HG2 MET B 3 11.404 -1.746 18.490 1.00 7.76 H new ATOM 0 HG3 MET B 3 12.705 -0.822 19.215 1.00 7.76 H new ATOM 0 HE1 MET B 3 13.012 -4.130 21.158 1.00 8.70 H new ATOM 0 HE2 MET B 3 12.614 -3.874 19.442 1.00 8.70 H new ATOM 0 HE3 MET B 3 13.834 -2.849 20.235 1.00 8.70 H new ATOM 922 N LYS B 4 8.561 1.846 17.784 1.00 5.69 N ATOM 923 CA LYS B 4 7.557 2.947 17.834 1.00 5.34 C ATOM 924 C LYS B 4 6.510 2.666 18.915 1.00 4.61 C ATOM 925 O LYS B 4 5.975 1.578 19.008 1.00 4.72 O ATOM 926 CB LYS B 4 6.909 2.955 16.451 1.00 6.20 C ATOM 927 CG LYS B 4 7.988 3.125 15.380 1.00 6.74 C ATOM 928 CD LYS B 4 8.668 4.486 15.550 1.00 7.81 C ATOM 929 CE LYS B 4 9.610 4.737 14.371 1.00 8.51 C ATOM 930 NZ LYS B 4 8.831 5.590 13.432 1.00 9.17 N ATOM 0 H LYS B 4 8.261 1.006 17.289 1.00 5.69 H new ATOM 0 HA LYS B 4 8.012 3.907 18.078 1.00 5.34 H new ATOM 0 HB2 LYS B 4 6.364 2.025 16.288 1.00 6.20 H new ATOM 0 HB3 LYS B 4 6.184 3.766 16.383 1.00 6.20 H new ATOM 0 HG2 LYS B 4 8.725 2.326 15.461 1.00 6.74 H new ATOM 0 HG3 LYS B 4 7.545 3.050 14.387 1.00 6.74 H new ATOM 0 HD2 LYS B 4 7.918 5.275 15.604 1.00 7.81 H new ATOM 0 HD3 LYS B 4 9.225 4.511 16.486 1.00 7.81 H new ATOM 0 HE2 LYS B 4 10.523 5.237 14.694 1.00 8.51 H new ATOM 0 HE3 LYS B 4 9.910 3.801 13.899 1.00 8.51 H new ATOM 0 HZ1 LYS B 4 9.411 5.805 12.596 1.00 9.17 H new ATOM 0 HZ2 LYS B 4 7.971 5.085 13.136 1.00 9.17 H new ATOM 0 HZ3 LYS B 4 8.566 6.476 13.907 1.00 9.17 H new ATOM 944 N SER B 5 6.168 3.657 19.693 1.00 4.27 N ATOM 945 CA SER B 5 5.104 3.469 20.721 1.00 3.86 C ATOM 946 C SER B 5 4.258 4.740 20.832 1.00 2.80 C ATOM 947 O SER B 5 4.703 5.821 20.505 1.00 3.02 O ATOM 948 CB SER B 5 5.854 3.207 22.026 1.00 4.70 C ATOM 949 OG SER B 5 6.538 4.388 22.420 1.00 5.20 O ATOM 0 H SER B 5 6.580 4.590 19.661 1.00 4.27 H new ATOM 0 HA SER B 5 4.426 2.652 20.474 1.00 3.86 H new ATOM 0 HB2 SER B 5 5.156 2.901 22.805 1.00 4.70 H new ATOM 0 HB3 SER B 5 6.563 2.390 21.894 1.00 4.70 H new ATOM 0 HG SER B 5 7.019 4.223 23.258 1.00 5.20 H new ATOM 955 N THR B 6 3.036 4.622 21.276 1.00 2.20 N ATOM 956 CA THR B 6 2.169 5.830 21.385 1.00 1.59 C ATOM 957 C THR B 6 2.686 6.755 22.491 1.00 1.19 C ATOM 958 O THR B 6 2.667 7.962 22.361 1.00 1.95 O ATOM 959 CB THR B 6 0.781 5.296 21.738 1.00 2.29 C ATOM 960 OG1 THR B 6 0.834 4.637 22.997 1.00 2.98 O ATOM 961 CG2 THR B 6 0.323 4.310 20.662 1.00 2.91 C ATOM 0 H THR B 6 2.602 3.746 21.567 1.00 2.20 H new ATOM 0 HA THR B 6 2.158 6.412 20.463 1.00 1.59 H new ATOM 0 HB THR B 6 0.075 6.125 21.792 1.00 2.29 H new ATOM 0 HG1 THR B 6 -0.056 4.296 23.225 1.00 2.98 H new ATOM 0 HG21 THR B 6 -0.667 3.930 20.915 1.00 2.91 H new ATOM 0 HG22 THR B 6 0.282 4.817 19.698 1.00 2.91 H new ATOM 0 HG23 THR B 6 1.027 3.480 20.606 1.00 2.91 H new ATOM 969 N GLY B 7 3.170 6.198 23.568 1.00 0.83 N ATOM 970 CA GLY B 7 3.712 7.051 24.664 1.00 0.45 C ATOM 971 C GLY B 7 2.569 7.839 25.307 1.00 0.43 C ATOM 972 O GLY B 7 2.668 9.032 25.517 1.00 0.49 O ATOM 0 H GLY B 7 3.214 5.193 23.736 1.00 0.83 H new ATOM 0 HA2 GLY B 7 4.207 6.431 25.412 1.00 0.45 H new ATOM 0 HA3 GLY B 7 4.463 7.735 24.270 1.00 0.45 H new ATOM 976 N ILE B 8 1.478 7.189 25.606 1.00 0.37 N ATOM 977 CA ILE B 8 0.325 7.917 26.219 1.00 0.37 C ATOM 978 C ILE B 8 0.026 7.354 27.609 1.00 0.32 C ATOM 979 O ILE B 8 0.069 6.163 27.822 1.00 0.30 O ATOM 980 CB ILE B 8 -0.852 7.667 25.277 1.00 0.40 C ATOM 981 CG1 ILE B 8 -0.470 8.096 23.860 1.00 0.45 C ATOM 982 CG2 ILE B 8 -2.060 8.481 25.747 1.00 0.43 C ATOM 983 CD1 ILE B 8 -1.601 7.734 22.895 1.00 1.36 C ATOM 0 H ILE B 8 1.333 6.191 25.454 1.00 0.37 H new ATOM 0 HA ILE B 8 0.528 8.981 26.342 1.00 0.37 H new ATOM 0 HB ILE B 8 -1.103 6.606 25.281 1.00 0.40 H new ATOM 0 HG12 ILE B 8 -0.283 9.169 23.832 1.00 0.45 H new ATOM 0 HG13 ILE B 8 0.454 7.603 23.556 1.00 0.45 H new ATOM 0 HG21 ILE B 8 -2.901 8.304 25.076 1.00 0.43 H new ATOM 0 HG22 ILE B 8 -2.332 8.178 26.758 1.00 0.43 H new ATOM 0 HG23 ILE B 8 -1.808 9.542 25.742 1.00 0.43 H new ATOM 0 HD11 ILE B 8 -1.329 8.040 21.885 1.00 1.36 H new ATOM 0 HD12 ILE B 8 -1.766 6.657 22.916 1.00 1.36 H new ATOM 0 HD13 ILE B 8 -2.514 8.247 23.196 1.00 1.36 H new ATOM 995 N VAL B 9 -0.209 8.200 28.571 1.00 0.32 N ATOM 996 CA VAL B 9 -0.428 7.701 29.960 1.00 0.29 C ATOM 997 C VAL B 9 -1.855 8.002 30.429 1.00 0.32 C ATOM 998 O VAL B 9 -2.412 9.042 30.139 1.00 0.37 O ATOM 999 CB VAL B 9 0.590 8.449 30.820 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.400 8.062 32.287 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.006 8.071 30.376 1.00 0.30 C ATOM 0 H VAL B 9 -0.259 9.213 28.459 1.00 0.32 H new ATOM 0 HA VAL B 9 -0.302 6.620 30.026 1.00 0.29 H new ATOM 0 HB VAL B 9 0.444 9.523 30.704 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.126 8.595 32.901 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.608 8.326 32.605 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.547 6.988 32.402 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.734 8.604 30.988 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.150 6.997 30.494 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.144 8.343 29.330 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.427 7.113 31.194 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.795 7.352 31.740 1.00 0.36 C ATOM 1013 C ARG B 10 -3.801 7.102 33.251 1.00 0.31 C ATOM 1014 O ARG B 10 -2.913 6.469 33.784 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.693 6.345 31.022 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.154 6.616 31.384 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.050 5.573 30.712 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.441 6.012 31.009 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.930 5.876 32.212 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.202 5.352 33.161 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.150 6.263 32.467 1.00 1.92 N ATOM 0 H ARG B 10 -2.004 6.226 31.466 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.134 8.376 31.583 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.554 6.422 29.944 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.419 5.329 31.307 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.284 6.580 32.466 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.439 7.617 31.062 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.870 5.531 29.638 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.858 4.575 31.106 1.00 0.87 H new ATOM 0 HE ARG B 10 -9.014 6.420 30.270 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.249 5.048 32.963 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.587 5.247 34.100 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.721 6.671 31.727 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.533 6.157 33.407 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.765 7.631 33.952 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.788 7.456 35.433 1.00 0.30 C ATOM 1037 C LYS B 11 -5.488 6.145 35.807 1.00 0.26 C ATOM 1038 O LYS B 11 -6.384 5.692 35.121 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.575 8.655 35.962 1.00 0.34 C ATOM 1040 CG LYS B 11 -4.815 9.944 35.643 1.00 1.03 C ATOM 1041 CD LYS B 11 -5.543 11.135 36.271 1.00 1.03 C ATOM 1042 CE LYS B 11 -4.856 12.435 35.848 1.00 1.81 C ATOM 1043 NZ LYS B 11 -3.959 12.784 36.985 1.00 2.21 N ATOM 0 H LYS B 11 -5.536 8.176 33.566 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.785 7.407 35.856 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.566 8.682 35.508 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.720 8.562 37.038 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -3.797 9.883 36.027 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.741 10.077 34.564 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.587 11.144 35.956 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -5.538 11.046 37.357 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -4.291 12.301 34.926 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -5.584 13.224 35.663 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -3.452 13.666 36.769 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -4.526 12.912 37.848 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -3.272 12.017 37.133 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.087 5.533 36.889 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.731 4.252 37.307 1.00 0.22 C ATOM 1059 C VAL B 12 -7.019 4.545 38.077 1.00 0.20 C ATOM 1060 O VAL B 12 -7.030 5.335 38.999 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.714 3.574 38.228 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.084 2.099 38.398 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.313 3.684 37.628 1.00 0.29 C ATOM 0 H VAL B 12 -4.342 5.864 37.502 1.00 0.23 H new ATOM 0 HA VAL B 12 -5.993 3.626 36.454 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.726 4.068 39.200 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.360 1.616 39.054 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.079 2.022 38.836 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.077 1.608 37.425 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.595 3.199 38.289 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.295 3.196 36.653 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.048 4.735 37.513 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.104 3.922 37.711 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.380 4.184 38.432 1.00 0.21 C ATOM 1075 C ASP B 13 -9.481 3.289 39.675 1.00 0.22 C ATOM 1076 O ASP B 13 -8.520 2.669 40.083 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.491 3.874 37.416 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.907 2.404 37.509 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.261 1.579 36.890 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.868 2.125 38.204 1.00 0.55 O ATOM 0 H ASP B 13 -8.163 3.247 36.949 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.453 5.211 38.791 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.353 4.515 37.604 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.142 4.096 36.408 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.597 3.326 40.350 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.708 2.603 41.651 1.00 0.26 C ATOM 1087 C GLU B 14 -10.321 1.124 41.515 1.00 0.26 C ATOM 1088 O GLU B 14 -9.756 0.545 42.420 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.180 2.732 42.044 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.398 2.107 43.424 1.00 1.22 C ATOM 1091 CD GLU B 14 -11.721 2.971 44.490 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -11.555 4.155 44.247 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -11.380 2.435 45.531 1.00 2.19 O ATOM 0 H GLU B 14 -11.437 3.825 40.058 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.033 3.022 42.397 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.473 3.782 42.058 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.809 2.236 41.305 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -13.465 2.023 43.632 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.989 1.097 43.446 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.736 0.473 40.464 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.513 -1.003 40.380 1.00 0.25 C ATOM 1102 C LEU B 15 -9.131 -1.333 39.803 1.00 0.23 C ATOM 1103 O LEU B 15 -8.761 -2.485 39.695 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.611 -1.528 39.457 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.382 -3.018 39.197 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.118 -3.736 40.525 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.624 -3.616 38.533 1.00 1.39 C ATOM 0 H LEU B 15 -11.215 0.891 39.666 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.548 -1.461 41.368 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.589 -1.372 39.911 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.605 -0.978 38.516 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.521 -3.143 38.540 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.955 -4.797 40.339 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.233 -3.311 40.999 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.978 -3.611 41.183 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.462 -4.678 38.347 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.484 -3.490 39.190 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.812 -3.107 37.588 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.379 -0.352 39.392 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.051 -0.654 38.783 1.00 0.20 C ATOM 1121 C GLY B 16 -7.242 -1.083 37.326 1.00 0.21 C ATOM 1122 O GLY B 16 -6.717 -2.089 36.885 1.00 0.21 O ATOM 0 H GLY B 16 -8.621 0.637 39.449 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.408 0.225 38.833 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.554 -1.445 39.344 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.028 -0.353 36.584 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.291 -0.740 35.172 1.00 0.27 C ATOM 1128 C ARG B 17 -7.738 0.328 34.226 1.00 0.26 C ATOM 1129 O ARG B 17 -7.600 1.480 34.587 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.814 -0.823 35.064 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.323 -1.970 35.942 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.842 -2.083 35.807 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.375 -0.852 36.453 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.640 -0.782 36.782 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.445 -1.774 36.506 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.102 0.279 37.386 1.00 1.14 N ATOM 0 H ARG B 17 -8.500 0.496 36.896 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.814 -1.682 34.901 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.264 0.118 35.379 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.108 -0.986 34.027 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.851 -2.906 35.645 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.052 -1.793 36.983 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.143 -2.142 34.761 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.217 -2.981 36.298 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.755 -0.064 36.639 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.088 -2.604 36.034 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.430 -1.718 36.763 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.477 1.055 37.602 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.088 0.332 37.642 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.414 -0.046 33.021 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.864 0.946 32.055 1.00 0.26 C ATOM 1152 C VAL B 18 -7.708 0.954 30.780 1.00 0.24 C ATOM 1153 O VAL B 18 -8.369 -0.013 30.459 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.444 0.466 31.756 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.673 0.306 33.068 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.502 -0.881 31.032 1.00 0.26 C ATOM 0 H VAL B 18 -7.506 -0.996 32.662 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.872 1.961 32.452 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.939 1.197 31.124 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.660 -0.036 32.855 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.631 1.265 33.585 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.178 -0.425 33.700 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.489 -1.223 30.819 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.007 -1.612 31.664 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.051 -0.768 30.097 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.751 2.060 30.092 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.629 2.151 28.891 1.00 0.22 C ATOM 1168 C VAL B 19 -7.787 2.263 27.619 1.00 0.22 C ATOM 1169 O VAL B 19 -6.880 3.068 27.531 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.448 3.424 29.101 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.527 3.523 28.020 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -10.107 3.382 30.481 1.00 0.24 C ATOM 0 H VAL B 19 -7.218 2.903 30.308 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.259 1.269 28.775 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.793 4.293 29.037 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -11.111 4.431 28.171 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -10.056 3.553 27.037 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.184 2.655 28.081 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.692 4.289 30.633 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.762 2.513 30.545 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.337 3.314 31.250 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.139 1.527 26.602 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.423 1.664 25.302 1.00 0.24 C ATOM 1184 C ILE B 20 -8.006 2.845 24.517 1.00 0.24 C ATOM 1185 O ILE B 20 -9.204 2.962 24.385 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.680 0.336 24.580 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.651 -0.697 25.041 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.560 0.528 23.065 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.856 -0.993 26.528 1.00 1.38 C ATOM 0 H ILE B 20 -8.890 0.837 26.614 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.357 1.859 25.417 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.686 -0.010 24.817 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.754 -1.613 24.459 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.642 -0.322 24.870 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.744 -0.421 22.562 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.293 1.263 22.732 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.557 0.879 22.821 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.123 -1.729 26.857 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.731 -0.075 27.102 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.860 -1.386 26.686 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.134 3.650 23.975 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.577 4.793 23.137 1.00 0.30 C ATOM 1203 C PRO B 21 -8.403 4.286 21.952 1.00 0.28 C ATOM 1204 O PRO B 21 -8.146 3.230 21.412 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.274 5.438 22.658 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.186 4.456 22.972 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.679 3.575 24.088 1.00 0.32 C ATOM 0 HA PRO B 21 -8.209 5.497 23.678 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.313 5.648 21.589 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.100 6.388 23.164 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.942 3.860 22.093 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.275 4.975 23.268 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.321 2.551 23.977 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.334 3.930 25.059 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.412 5.016 21.558 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.268 4.548 20.429 1.00 0.30 C ATOM 1217 C ILE B 22 -9.414 4.267 19.192 1.00 0.33 C ATOM 1218 O ILE B 22 -9.710 3.387 18.410 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.235 5.701 20.159 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.353 5.223 19.228 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.481 6.856 19.498 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.180 4.147 19.931 1.00 1.11 C ATOM 0 H ILE B 22 -9.680 5.912 21.966 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.791 3.622 20.669 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.666 6.040 21.101 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.991 6.062 18.949 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.928 4.825 18.307 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.171 7.678 19.306 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.685 7.197 20.160 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.049 6.517 18.556 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.975 3.808 19.267 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.538 3.305 20.188 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.618 4.560 20.840 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.347 4.992 19.015 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.474 4.742 17.835 1.00 0.40 C ATOM 1236 C GLU B 23 -6.960 3.302 17.868 1.00 0.37 C ATOM 1237 O GLU B 23 -6.830 2.652 16.848 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.316 5.729 17.984 1.00 0.44 C ATOM 1239 CG GLU B 23 -6.848 7.160 17.888 1.00 1.22 C ATOM 1240 CD GLU B 23 -5.680 8.145 17.972 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.581 7.706 18.263 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -5.907 9.322 17.744 1.00 2.00 O ATOM 0 H GLU B 23 -8.042 5.744 19.633 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.000 4.875 16.890 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -5.817 5.579 18.942 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.573 5.553 17.207 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -7.387 7.297 16.950 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -7.557 7.351 18.694 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.696 2.790 19.039 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.225 1.382 19.154 1.00 0.33 C ATOM 1251 C LEU B 24 -7.410 0.413 19.120 1.00 0.29 C ATOM 1252 O LEU B 24 -7.307 -0.679 18.602 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.502 1.313 20.497 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.285 2.239 20.466 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.490 2.078 21.763 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.397 1.870 19.276 1.00 1.75 C ATOM 0 H LEU B 24 -6.787 3.289 19.924 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.572 1.099 18.328 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.176 1.607 21.301 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.189 0.289 20.702 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.616 3.273 20.368 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.622 2.737 21.742 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.123 2.337 22.612 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.158 1.044 21.860 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.529 2.529 19.252 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.066 0.836 19.376 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.963 1.982 18.351 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.558 0.827 19.591 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.749 -0.063 19.480 1.00 0.23 C ATOM 1270 C ARG B 25 -9.978 -0.411 18.010 1.00 0.26 C ATOM 1271 O ARG B 25 -10.266 -1.538 17.663 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.936 0.749 20.009 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.732 1.112 21.482 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.027 1.726 22.026 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.625 2.488 23.239 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.403 3.425 23.714 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.545 3.686 23.136 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.038 4.099 24.770 1.00 0.27 N ATOM 0 H ARG B 25 -8.720 1.728 20.040 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.619 -0.990 20.039 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.053 1.658 19.419 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.855 0.174 19.895 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.466 0.224 22.056 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.908 1.818 21.586 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.492 2.380 21.288 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.755 0.953 22.271 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.740 2.279 23.701 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.832 3.158 22.312 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.150 4.418 23.509 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.147 3.894 25.223 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.643 4.831 25.142 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.877 0.562 17.146 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.117 0.304 15.697 1.00 0.33 C ATOM 1294 C ARG B 26 -8.968 -0.512 15.097 1.00 0.35 C ATOM 1295 O ARG B 26 -9.182 -1.491 14.411 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.179 1.692 15.057 1.00 0.37 C ATOM 1297 CG ARG B 26 -10.526 1.556 13.574 1.00 1.07 C ATOM 1298 CD ARG B 26 -10.523 2.939 12.920 1.00 1.25 C ATOM 1299 NE ARG B 26 -10.983 2.704 11.523 1.00 1.86 N ATOM 1300 CZ ARG B 26 -11.256 3.716 10.743 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -11.129 4.939 11.184 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -11.659 3.504 9.519 1.00 3.27 N ATOM 0 H ARG B 26 -9.638 1.525 17.381 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.028 -0.269 15.528 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -10.927 2.303 15.562 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -9.222 2.200 15.172 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -9.804 0.906 13.079 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.505 1.090 13.460 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -11.188 3.625 13.445 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -9.528 3.383 12.939 1.00 1.25 H new ATOM 0 HE ARG B 26 -11.085 1.751 11.174 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -10.816 5.106 12.140 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -11.343 5.727 10.572 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -11.760 2.550 9.173 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -11.873 4.293 8.909 1.00 3.27 H new ATOM 1316 N THR B 27 -7.753 -0.086 15.312 1.00 0.37 N ATOM 1317 CA THR B 27 -6.590 -0.800 14.709 1.00 0.41 C ATOM 1318 C THR B 27 -6.490 -2.233 15.243 1.00 0.39 C ATOM 1319 O THR B 27 -6.007 -3.122 14.570 1.00 0.42 O ATOM 1320 CB THR B 27 -5.364 0.015 15.123 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.526 1.361 14.697 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.112 -0.581 14.479 1.00 0.77 C ATOM 0 H THR B 27 -7.515 0.727 15.880 1.00 0.37 H new ATOM 0 HA THR B 27 -6.683 -0.881 13.626 1.00 0.41 H new ATOM 0 HB THR B 27 -5.258 -0.012 16.208 1.00 0.44 H new ATOM 0 HG1 THR B 27 -5.963 1.878 15.405 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.239 0.001 14.775 1.00 0.77 H new ATOM 0 HG22 THR B 27 -3.989 -1.613 14.808 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.214 -0.556 13.394 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.875 -2.453 16.469 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.727 -3.815 17.057 1.00 0.35 C ATOM 1332 C LEU B 28 -7.960 -4.676 16.752 1.00 0.33 C ATOM 1333 O LEU B 28 -7.992 -5.854 17.050 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.587 -3.584 18.562 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.163 -4.887 19.241 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.710 -5.203 18.880 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.288 -4.734 20.758 1.00 1.05 C ATOM 0 H LEU B 28 -7.284 -1.753 17.088 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.870 -4.347 16.644 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.849 -2.805 18.754 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.533 -3.236 18.977 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.806 -5.699 18.902 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.409 -6.132 19.364 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.619 -5.311 17.799 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.066 -4.391 19.219 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.986 -5.662 21.243 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.645 -3.922 21.096 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.323 -4.509 21.017 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.968 -4.106 16.150 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.180 -4.909 15.815 1.00 0.32 C ATOM 1351 C GLY B 29 -10.855 -5.380 17.104 1.00 0.29 C ATOM 1352 O GLY B 29 -11.254 -6.522 17.224 1.00 0.29 O ATOM 0 H GLY B 29 -9.006 -3.124 15.876 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.875 -4.310 15.227 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.902 -5.767 15.203 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.957 -4.524 18.081 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.575 -4.940 19.372 1.00 0.24 C ATOM 1358 C ILE B 30 -12.859 -4.152 19.639 1.00 0.23 C ATOM 1359 O ILE B 30 -12.946 -2.969 19.375 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.527 -4.632 20.439 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.243 -5.407 20.129 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.057 -5.055 21.811 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.576 -6.886 19.928 1.00 0.30 C ATOM 0 H ILE B 30 -10.640 -3.555 18.043 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.852 -5.994 19.364 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.316 -3.563 20.444 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.770 -5.005 19.233 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.530 -5.291 20.945 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.309 -4.836 22.573 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.973 -4.507 22.032 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.267 -6.125 21.806 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.662 -7.438 19.707 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.030 -7.283 20.836 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.274 -6.992 19.097 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.867 -4.819 20.124 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.172 -4.147 20.378 1.00 0.23 C ATOM 1377 C ALA B 31 -15.796 -4.687 21.668 1.00 0.20 C ATOM 1378 O ALA B 31 -15.366 -5.688 22.206 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.042 -4.510 19.176 1.00 0.23 C ATOM 0 H ALA B 31 -13.843 -5.812 20.358 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.067 -3.069 20.497 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.025 -4.052 19.287 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.572 -4.145 18.263 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.151 -5.593 19.120 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.808 -4.035 22.167 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.456 -4.516 23.420 1.00 0.21 C ATOM 1387 C GLU B 32 -17.857 -5.990 23.286 1.00 0.19 C ATOM 1388 O GLU B 32 -18.253 -6.440 22.232 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.698 -3.639 23.584 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.383 -3.969 24.913 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.687 -3.179 25.026 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.988 -2.436 24.107 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.362 -3.331 26.031 1.00 1.13 O ATOM 0 H GLU B 32 -17.215 -3.191 21.763 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.788 -4.448 24.278 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.419 -2.586 23.558 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.387 -3.807 22.756 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.587 -5.038 24.973 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.723 -3.723 25.745 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.807 -6.721 24.372 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.240 -8.154 24.364 1.00 0.20 C ATOM 1402 C LYS B 33 -17.198 -9.045 23.674 1.00 0.18 C ATOM 1403 O LYS B 33 -17.279 -10.256 23.730 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.564 -8.186 23.595 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.301 -9.490 23.905 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.591 -9.555 23.085 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.406 -10.780 23.510 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.827 -10.341 23.429 1.00 1.88 N ATOM 0 H LYS B 33 -17.480 -6.381 25.276 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.351 -8.536 25.379 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.180 -7.332 23.875 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.377 -8.107 22.524 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.665 -10.344 23.671 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.531 -9.546 24.969 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.175 -8.647 23.234 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.356 -9.612 22.022 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -22.216 -11.628 22.852 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -22.147 -11.096 24.521 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.449 -11.127 23.706 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -23.979 -9.537 24.070 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -24.046 -10.053 22.454 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.169 -8.469 23.116 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.078 -9.308 22.538 1.00 0.16 C ATOM 1424 C ASP B 34 -14.183 -9.845 23.656 1.00 0.19 C ATOM 1425 O ASP B 34 -14.276 -9.421 24.791 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.294 -8.378 21.617 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.112 -8.111 20.355 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.144 -8.743 20.196 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.692 -7.280 19.571 1.00 1.09 O ATOM 0 H ASP B 34 -16.035 -7.461 23.035 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.465 -10.171 21.997 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.076 -7.440 22.128 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.337 -8.829 21.355 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.372 -10.826 23.364 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.536 -11.441 24.435 1.00 0.28 C ATOM 1436 C ALA B 35 -11.081 -10.977 24.324 1.00 0.20 C ATOM 1437 O ALA B 35 -10.463 -11.073 23.282 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.636 -12.947 24.193 1.00 0.36 C ATOM 0 H ALA B 35 -13.252 -11.227 22.434 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.876 -11.158 25.431 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.046 -13.476 24.942 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.678 -13.259 24.265 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.255 -13.182 23.199 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.505 -10.553 25.417 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.062 -10.177 25.412 1.00 0.21 C ATOM 1446 C LEU B 36 -8.259 -11.212 26.199 1.00 0.19 C ATOM 1447 O LEU B 36 -8.630 -11.579 27.293 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.000 -8.831 26.134 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.063 -7.886 25.579 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.267 -6.740 26.571 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.597 -7.324 24.234 1.00 0.56 C ATOM 0 H LEU B 36 -10.974 -10.451 26.317 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.653 -10.127 24.403 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.154 -8.976 27.203 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.011 -8.390 26.012 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.000 -8.424 25.435 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.024 -6.057 26.187 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.594 -7.143 27.530 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.328 -6.203 26.704 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.357 -6.650 23.839 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.663 -6.778 24.371 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.439 -8.143 23.533 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.093 -11.565 25.736 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.212 -12.429 26.571 1.00 0.20 C ATOM 1465 C GLU B 37 -5.101 -11.584 27.195 1.00 0.18 C ATOM 1466 O GLU B 37 -4.617 -10.641 26.602 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.637 -13.472 25.613 1.00 0.24 C ATOM 1468 CG GLU B 37 -4.795 -14.479 26.400 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.135 -15.462 25.430 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.328 -15.305 24.236 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.447 -16.354 25.900 1.00 1.07 O ATOM 0 H GLU B 37 -6.715 -11.297 24.827 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.751 -12.903 27.391 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.444 -13.986 25.091 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.025 -12.985 24.853 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.034 -13.958 26.980 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.423 -15.018 27.110 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.797 -11.830 28.438 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.841 -10.951 29.164 1.00 0.20 C ATOM 1480 C ILE B 38 -2.539 -11.699 29.454 1.00 0.19 C ATOM 1481 O ILE B 38 -2.545 -12.840 29.884 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.550 -10.589 30.469 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.895 -9.931 30.151 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.684 -9.614 31.268 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.664 -9.684 31.451 1.00 0.84 C ATOM 0 H ILE B 38 -5.171 -12.606 28.984 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.574 -10.068 28.583 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.715 -11.493 31.056 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.736 -8.989 29.626 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.477 -10.571 29.488 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.190 -9.356 32.198 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.725 -10.080 31.494 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.519 -8.710 30.682 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.622 -9.215 31.224 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.836 -10.633 31.958 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.083 -9.027 32.098 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.432 -11.066 29.181 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.106 -11.714 29.381 1.00 0.20 C ATOM 1499 C TYR B 39 0.675 -10.994 30.480 1.00 0.20 C ATOM 1500 O TYR B 39 0.464 -9.825 30.733 1.00 0.19 O ATOM 1501 CB TYR B 39 0.609 -11.530 28.047 1.00 0.23 C ATOM 1502 CG TYR B 39 0.114 -12.535 27.045 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.242 -12.585 26.705 1.00 0.31 C ATOM 1504 CD2 TYR B 39 1.021 -13.411 26.444 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.692 -13.516 25.761 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.573 -14.342 25.502 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.782 -14.396 25.159 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.223 -15.312 24.227 1.00 0.45 O ATOM 0 H TYR B 39 -1.390 -10.112 28.822 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.197 -12.759 29.676 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.440 -10.520 27.673 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.684 -11.643 28.185 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -1.941 -11.906 27.170 1.00 0.31 H new ATOM 0 HD2 TYR B 39 2.068 -13.369 26.707 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.738 -13.556 25.497 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.274 -15.020 25.039 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.465 -15.844 23.907 1.00 0.45 H new ATOM 1518 N VAL B 40 1.661 -11.636 31.044 1.00 0.21 N ATOM 1519 CA VAL B 40 2.541 -10.923 32.015 1.00 0.21 C ATOM 1520 C VAL B 40 4.015 -11.210 31.716 1.00 0.21 C ATOM 1521 O VAL B 40 4.480 -12.324 31.849 1.00 0.23 O ATOM 1522 CB VAL B 40 2.152 -11.478 33.383 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.071 -10.886 34.453 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.702 -11.095 33.691 1.00 0.26 C ATOM 0 H VAL B 40 1.895 -12.615 30.877 1.00 0.21 H new ATOM 0 HA VAL B 40 2.417 -9.841 31.963 1.00 0.21 H new ATOM 0 HB VAL B 40 2.251 -12.563 33.378 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.794 -11.282 35.430 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.105 -11.153 34.233 1.00 0.26 H new ATOM 0 HG13 VAL B 40 2.970 -9.801 34.459 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.421 -11.490 34.667 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.606 -10.009 33.697 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.045 -11.513 32.928 1.00 0.26 H new ATOM 1534 N ASP B 41 4.770 -10.194 31.396 1.00 0.21 N ATOM 1535 CA ASP B 41 6.233 -10.390 31.181 1.00 0.21 C ATOM 1536 C ASP B 41 6.998 -9.128 31.594 1.00 0.24 C ATOM 1537 O ASP B 41 6.465 -8.040 31.569 1.00 0.26 O ATOM 1538 CB ASP B 41 6.388 -10.645 29.678 1.00 0.19 C ATOM 1539 CG ASP B 41 6.263 -9.326 28.911 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.504 -8.477 29.350 1.00 1.77 O ATOM 1541 OD2 ASP B 41 6.933 -9.185 27.901 1.00 1.68 O ATOM 0 H ASP B 41 4.438 -9.237 31.274 1.00 0.21 H new ATOM 0 HA ASP B 41 6.631 -11.214 31.774 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.356 -11.103 29.476 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.626 -11.347 29.339 1.00 0.19 H new ATOM 1546 N ASP B 42 8.271 -9.249 31.847 1.00 0.27 N ATOM 1547 CA ASP B 42 9.100 -8.035 32.109 1.00 0.32 C ATOM 1548 C ASP B 42 8.362 -7.044 33.021 1.00 0.32 C ATOM 1549 O ASP B 42 8.465 -5.845 32.853 1.00 0.37 O ATOM 1550 CB ASP B 42 9.331 -7.422 30.729 1.00 0.37 C ATOM 1551 CG ASP B 42 10.168 -6.150 30.867 1.00 0.45 C ATOM 1552 OD1 ASP B 42 11.381 -6.266 30.925 1.00 1.21 O ATOM 1553 OD2 ASP B 42 9.583 -5.081 30.913 1.00 1.14 O ATOM 0 H ASP B 42 8.775 -10.135 31.884 1.00 0.27 H new ATOM 0 HA ASP B 42 10.031 -8.281 32.620 1.00 0.32 H new ATOM 0 HB2 ASP B 42 9.841 -8.137 30.083 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.376 -7.192 30.258 1.00 0.37 H new ATOM 1558 N GLU B 43 7.699 -7.528 34.037 1.00 0.29 N ATOM 1559 CA GLU B 43 7.052 -6.603 35.018 1.00 0.30 C ATOM 1560 C GLU B 43 6.071 -5.664 34.311 1.00 0.29 C ATOM 1561 O GLU B 43 5.583 -4.714 34.890 1.00 0.30 O ATOM 1562 CB GLU B 43 8.204 -5.809 35.635 1.00 0.34 C ATOM 1563 CG GLU B 43 9.142 -6.763 36.377 1.00 1.17 C ATOM 1564 CD GLU B 43 8.375 -7.463 37.499 1.00 1.34 C ATOM 1565 OE1 GLU B 43 7.311 -6.983 37.852 1.00 1.68 O ATOM 1566 OE2 GLU B 43 8.865 -8.469 37.987 1.00 1.92 O ATOM 0 H GLU B 43 7.576 -8.522 34.232 1.00 0.29 H new ATOM 0 HA GLU B 43 6.478 -7.144 35.770 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.751 -5.277 34.857 1.00 0.34 H new ATOM 0 HB3 GLU B 43 7.815 -5.057 36.322 1.00 0.34 H new ATOM 0 HG2 GLU B 43 9.549 -7.501 35.685 1.00 1.17 H new ATOM 0 HG3 GLU B 43 9.987 -6.212 36.789 1.00 1.17 H new ATOM 1573 N LYS B 44 5.702 -5.979 33.102 1.00 0.29 N ATOM 1574 CA LYS B 44 4.664 -5.166 32.405 1.00 0.30 C ATOM 1575 C LYS B 44 3.590 -6.086 31.818 1.00 0.27 C ATOM 1576 O LYS B 44 3.746 -7.290 31.781 1.00 0.26 O ATOM 1577 CB LYS B 44 5.407 -4.416 31.297 1.00 0.34 C ATOM 1578 CG LYS B 44 5.857 -5.402 30.216 1.00 1.29 C ATOM 1579 CD LYS B 44 6.677 -4.660 29.160 1.00 1.23 C ATOM 1580 CE LYS B 44 6.855 -5.554 27.930 1.00 1.90 C ATOM 1581 NZ LYS B 44 7.669 -4.744 26.981 1.00 2.00 N ATOM 0 H LYS B 44 6.073 -6.763 32.565 1.00 0.29 H new ATOM 0 HA LYS B 44 4.158 -4.475 33.079 1.00 0.30 H new ATOM 0 HB2 LYS B 44 4.758 -3.656 30.862 1.00 0.34 H new ATOM 0 HB3 LYS B 44 6.271 -3.898 31.712 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.453 -6.199 30.661 1.00 1.29 H new ATOM 0 HG3 LYS B 44 4.989 -5.873 29.754 1.00 1.29 H new ATOM 0 HD2 LYS B 44 6.176 -3.734 28.880 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.650 -4.385 29.567 1.00 1.23 H new ATOM 0 HE2 LYS B 44 7.360 -6.485 28.188 1.00 1.90 H new ATOM 0 HE3 LYS B 44 5.893 -5.823 27.495 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 7.391 -4.970 26.005 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 7.508 -3.732 27.162 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 8.677 -4.964 27.113 1.00 2.00 H new ATOM 1595 N ILE B 45 2.458 -5.542 31.471 1.00 0.28 N ATOM 1596 CA ILE B 45 1.325 -6.403 31.022 1.00 0.26 C ATOM 1597 C ILE B 45 1.163 -6.331 29.502 1.00 0.26 C ATOM 1598 O ILE B 45 1.132 -5.263 28.925 1.00 0.29 O ATOM 1599 CB ILE B 45 0.095 -5.816 31.712 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.337 -5.757 33.221 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.122 -6.698 31.426 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.745 -4.896 33.875 1.00 1.24 C ATOM 0 H ILE B 45 2.267 -4.540 31.478 1.00 0.28 H new ATOM 0 HA ILE B 45 1.483 -7.452 31.272 1.00 0.26 H new ATOM 0 HB ILE B 45 -0.088 -4.811 31.333 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.322 -6.762 33.643 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.323 -5.340 33.426 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.999 -6.279 31.919 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.296 -6.741 30.351 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.939 -7.704 31.805 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.575 -4.853 34.951 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.708 -3.888 33.461 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.725 -5.333 33.680 1.00 1.24 H new ATOM 1614 N ILE B 46 0.988 -7.455 28.862 1.00 0.26 N ATOM 1615 CA ILE B 46 0.745 -7.450 27.391 1.00 0.29 C ATOM 1616 C ILE B 46 -0.678 -7.930 27.088 1.00 0.28 C ATOM 1617 O ILE B 46 -1.042 -9.049 27.385 1.00 0.31 O ATOM 1618 CB ILE B 46 1.776 -8.426 26.825 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.170 -7.813 26.947 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.467 -8.716 25.354 1.00 0.37 C ATOM 1621 CD1 ILE B 46 4.208 -8.929 27.036 1.00 0.50 C ATOM 0 H ILE B 46 1.003 -8.378 29.295 1.00 0.26 H new ATOM 0 HA ILE B 46 0.840 -6.455 26.955 1.00 0.29 H new ATOM 0 HB ILE B 46 1.736 -9.360 27.386 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.376 -7.177 26.086 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.224 -7.179 27.832 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.206 -9.412 24.957 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.473 -9.155 25.271 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.502 -7.787 24.785 1.00 0.37 H new ATOM 0 HD11 ILE B 46 5.204 -8.494 27.123 1.00 0.50 H new ATOM 0 HD12 ILE B 46 4.004 -9.547 27.911 1.00 0.50 H new ATOM 0 HD13 ILE B 46 4.158 -9.544 26.138 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.475 -7.101 26.473 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.863 -7.521 26.123 1.00 0.29 C ATOM 1635 C LEU B 47 -2.979 -7.735 24.614 1.00 0.31 C ATOM 1636 O LEU B 47 -2.506 -6.936 23.829 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.758 -6.363 26.562 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.556 -6.088 28.052 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -2.268 -5.290 28.257 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.743 -5.282 28.583 1.00 1.23 C ATOM 0 H LEU B 47 -1.226 -6.151 26.197 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.143 -8.457 26.607 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.523 -5.470 25.983 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.803 -6.604 26.366 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.485 -7.034 28.589 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -2.126 -5.095 29.320 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.421 -5.862 27.877 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.337 -4.344 27.721 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.602 -5.084 29.646 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.812 -4.337 28.044 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.662 -5.850 28.438 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.593 -8.807 24.204 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.728 -9.079 22.743 1.00 0.34 C ATOM 1654 C LYS B 48 -5.110 -9.660 22.437 1.00 0.27 C ATOM 1655 O LYS B 48 -5.780 -10.177 23.309 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.634 -10.100 22.431 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.859 -11.364 23.265 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.748 -12.374 22.970 1.00 0.85 C ATOM 1659 CE LYS B 48 -0.419 -11.845 23.512 1.00 1.54 C ATOM 1660 NZ LYS B 48 0.268 -11.252 22.331 1.00 1.74 N ATOM 0 H LYS B 48 -4.009 -9.509 24.816 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.627 -8.175 22.142 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.644 -10.346 21.369 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.654 -9.677 22.651 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.867 -11.116 24.326 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.831 -11.798 23.032 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.984 -13.334 23.429 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.673 -12.544 21.896 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -0.579 -11.100 24.291 1.00 1.54 H new ATOM 0 HE3 LYS B 48 0.174 -12.646 23.953 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 1.084 -11.842 22.072 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -0.394 -11.207 21.531 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 0.595 -10.293 22.565 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.510 -9.649 21.196 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.812 -10.278 20.833 1.00 0.25 C ATOM 1676 C LYS B 49 -6.833 -11.730 21.309 1.00 0.22 C ATOM 1677 O LYS B 49 -5.806 -12.371 21.420 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.881 -10.213 19.309 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.227 -10.768 18.837 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.270 -10.770 17.308 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.662 -11.195 16.836 1.00 1.08 C ATOM 1682 NZ LYS B 49 -10.325 -9.932 16.410 1.00 1.65 N ATOM 0 H LYS B 49 -4.995 -9.234 20.420 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.660 -9.772 21.294 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.761 -9.183 18.972 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.065 -10.788 18.872 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.368 -11.780 19.217 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.042 -10.162 19.234 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.032 -9.777 16.926 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.517 -11.452 16.914 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -9.600 -11.906 16.012 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.219 -11.683 17.636 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -11.286 -10.141 16.073 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -10.376 -9.278 17.217 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.777 -9.494 15.643 1.00 1.65 H new ATOM 1696 N TYR B 50 -7.981 -12.228 21.671 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.043 -13.607 22.231 1.00 0.22 C ATOM 1698 C TYR B 50 -8.526 -14.598 21.169 1.00 0.25 C ATOM 1699 O TYR B 50 -9.615 -14.478 20.642 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.049 -13.520 23.381 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.164 -14.864 24.067 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.185 -15.845 23.862 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.251 -15.130 24.907 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.293 -17.087 24.497 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.359 -16.372 25.543 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.380 -17.351 25.338 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.487 -18.576 25.964 1.00 0.65 O ATOM 0 H TYR B 50 -8.876 -11.743 21.604 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.067 -13.958 22.565 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.731 -12.762 24.097 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.023 -13.211 23.001 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.346 -15.642 23.213 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.008 -14.376 25.065 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.537 -17.842 24.338 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.198 -16.575 26.192 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.299 -18.593 26.512 1.00 0.65 H new ATOM 1717 N LYS B 51 -7.731 -15.590 20.863 1.00 0.38 N ATOM 1718 CA LYS B 51 -8.150 -16.596 19.845 1.00 0.44 C ATOM 1719 C LYS B 51 -8.744 -17.840 20.521 1.00 1.25 C ATOM 1720 O LYS B 51 -9.856 -18.229 20.220 1.00 2.08 O ATOM 1721 CB LYS B 51 -6.875 -16.950 19.081 1.00 1.27 C ATOM 1722 CG LYS B 51 -7.040 -16.576 17.607 1.00 2.06 C ATOM 1723 CD LYS B 51 -6.902 -15.061 17.447 1.00 2.71 C ATOM 1724 CE LYS B 51 -5.556 -14.737 16.796 1.00 3.57 C ATOM 1725 NZ LYS B 51 -5.519 -15.563 15.557 1.00 4.35 N ATOM 0 H LYS B 51 -6.811 -15.746 21.274 1.00 0.38 H new ATOM 0 HA LYS B 51 -8.924 -16.206 19.184 1.00 0.44 H new ATOM 0 HB2 LYS B 51 -6.024 -16.420 19.508 1.00 1.27 H new ATOM 0 HB3 LYS B 51 -6.666 -18.016 19.175 1.00 1.27 H new ATOM 0 HG2 LYS B 51 -6.288 -17.086 17.005 1.00 2.06 H new ATOM 0 HG3 LYS B 51 -8.014 -16.904 17.244 1.00 2.06 H new ATOM 0 HD2 LYS B 51 -7.717 -14.674 16.835 1.00 2.71 H new ATOM 0 HD3 LYS B 51 -6.974 -14.574 18.419 1.00 2.71 H new ATOM 0 HE2 LYS B 51 -5.475 -13.675 16.565 1.00 3.57 H new ATOM 0 HE3 LYS B 51 -4.727 -14.983 17.460 1.00 3.57 H new ATOM 0 HZ1 LYS B 51 -5.085 -15.015 14.787 1.00 4.35 H new ATOM 0 HZ2 LYS B 51 -4.959 -16.422 15.729 1.00 4.35 H new ATOM 0 HZ3 LYS B 51 -6.488 -15.830 15.288 1.00 4.35 H new ATOM 1739 N PRO B 52 -7.978 -18.445 21.398 1.00 1.79 N ATOM 1740 CA PRO B 52 -8.451 -19.671 22.083 1.00 2.79 C ATOM 1741 C PRO B 52 -9.799 -19.415 22.764 1.00 2.90 C ATOM 1742 O PRO B 52 -10.140 -18.294 23.083 1.00 3.05 O ATOM 1743 CB PRO B 52 -7.367 -19.974 23.116 1.00 3.58 C ATOM 1744 CG PRO B 52 -6.161 -19.205 22.677 1.00 3.28 C ATOM 1745 CD PRO B 52 -6.631 -18.053 21.825 1.00 2.28 C ATOM 0 HA PRO B 52 -8.606 -20.502 21.395 1.00 2.79 H new ATOM 0 HB2 PRO B 52 -7.682 -19.671 24.114 1.00 3.58 H new ATOM 0 HB3 PRO B 52 -7.155 -21.042 23.159 1.00 3.58 H new ATOM 0 HG2 PRO B 52 -5.606 -18.839 23.541 1.00 3.28 H new ATOM 0 HG3 PRO B 52 -5.484 -19.846 22.112 1.00 3.28 H new ATOM 0 HD2 PRO B 52 -6.648 -17.121 22.390 1.00 2.28 H new ATOM 0 HD3 PRO B 52 -5.973 -17.895 20.971 1.00 2.28 H new ATOM 1753 N ASN B 53 -10.581 -20.441 22.958 1.00 3.43 N ATOM 1754 CA ASN B 53 -11.920 -20.249 23.585 1.00 4.01 C ATOM 1755 C ASN B 53 -12.284 -21.467 24.440 1.00 4.61 C ATOM 1756 O ASN B 53 -12.234 -21.350 25.653 1.00 5.09 O ATOM 1757 CB ASN B 53 -12.891 -20.108 22.412 1.00 4.59 C ATOM 1758 CG ASN B 53 -14.289 -19.784 22.942 1.00 5.20 C ATOM 1759 OD1 ASN B 53 -15.159 -20.633 22.953 1.00 5.34 O ATOM 1760 ND2 ASN B 53 -14.544 -18.584 23.384 1.00 5.97 N ATOM 1761 OXT ASN B 53 -12.606 -22.493 23.865 1.00 4.97 O ATOM 0 H ASN B 53 -10.351 -21.403 22.710 1.00 3.43 H new ATOM 0 HA ASN B 53 -11.947 -19.380 24.243 1.00 4.01 H new ATOM 0 HB2 ASN B 53 -12.554 -19.319 21.740 1.00 4.59 H new ATOM 0 HB3 ASN B 53 -12.915 -21.031 21.833 1.00 4.59 H new ATOM 0 HD21 ASN B 53 -15.473 -18.358 23.739 1.00 5.97 H new ATOM 0 HD22 ASN B 53 -13.814 -17.871 23.375 1.00 5.97 H new TER 1768 ASN B 53