USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 37 TYR OH : rot 33:sc= 2.3 USER MOD Set 1.2: B 46 LYS NZ :NH3+ -178:sc= 2.3 (180deg=0.963) USER MOD Set 2.1: A 37 TYR OH : rot -146:sc= 2.06 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -178:sc= 2.33 (180deg=1.16) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.157 (180deg=-0.815) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0762 (180deg=-0.208) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 0.4 (180deg=0.379) USER MOD Single : A 3 SER OG : rot -170:sc= -2.17! USER MOD Single : A 4 THR OG1 : rot 21:sc= -2! USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= -0.246 (180deg=-0.762) USER MOD Single : A 25 THR OG1 : rot 58:sc= 1.05 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 2.25 (180deg=1.82) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.795) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0.479 (180deg=0.37) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 157:sc= -0.223 (180deg=-0.931) USER MOD Single : B 1 MET N :NH3+ 173:sc= -0.0349 (180deg=-0.119) USER MOD Single : B 2 LYS NZ :NH3+ 179:sc= 0.515 (180deg=0.515) USER MOD Single : B 3 SER OG : rot 62:sc= 1.04 USER MOD Single : B 4 THR OG1 : rot 41:sc= -2.45! USER MOD Single : B 9 LYS NZ :NH3+ 147:sc= -0.17 (180deg=-0.872) USER MOD Single : B 25 THR OG1 : rot 61:sc= 0.93 USER MOD Single : B 31 LYS NZ :NH3+ -169:sc= 2.09 (180deg=1.9) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -144:sc= 2.44 (180deg=0.249) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : B 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 37:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.835 14.975 6.396 1.00 1.54 N ATOM 2 CA MET A 1 6.733 13.671 5.706 1.00 0.91 C ATOM 3 C MET A 1 6.314 12.582 6.688 1.00 0.89 C ATOM 4 O MET A 1 7.099 12.139 7.528 1.00 1.68 O ATOM 5 CB MET A 1 8.058 13.318 5.009 1.00 1.24 C ATOM 6 CG MET A 1 9.272 13.314 5.925 1.00 1.65 C ATOM 7 SD MET A 1 10.812 13.043 5.028 1.00 2.37 S ATOM 8 CE MET A 1 10.874 14.521 4.014 1.00 2.99 C ATOM 0 H1 MET A 1 7.281 15.669 5.763 1.00 1.54 H new ATOM 0 H2 MET A 1 5.884 15.305 6.657 1.00 1.54 H new ATOM 0 H3 MET A 1 7.412 14.869 7.255 1.00 1.54 H new ATOM 0 HA MET A 1 5.965 13.743 4.936 1.00 0.91 H new ATOM 0 HB2 MET A 1 7.962 12.334 4.551 1.00 1.24 H new ATOM 0 HB3 MET A 1 8.230 14.030 4.202 1.00 1.24 H new ATOM 0 HG2 MET A 1 9.326 14.265 6.455 1.00 1.65 H new ATOM 0 HG3 MET A 1 9.152 12.535 6.678 1.00 1.65 H new ATOM 0 HE1 MET A 1 11.907 14.728 3.736 1.00 2.99 H new ATOM 0 HE2 MET A 1 10.279 14.370 3.113 1.00 2.99 H new ATOM 0 HE3 MET A 1 10.474 15.365 4.576 1.00 2.99 H new ATOM 20 N LYS A 2 5.054 12.185 6.588 1.00 0.70 N ATOM 21 CA LYS A 2 4.475 11.164 7.452 1.00 0.49 C ATOM 22 C LYS A 2 3.097 10.781 6.932 1.00 0.38 C ATOM 23 O LYS A 2 2.807 10.975 5.751 1.00 0.43 O ATOM 24 CB LYS A 2 4.397 11.653 8.913 1.00 0.61 C ATOM 25 CG LYS A 2 4.024 13.126 9.075 1.00 1.19 C ATOM 26 CD LYS A 2 2.536 13.389 8.910 1.00 1.30 C ATOM 27 CE LYS A 2 1.725 12.779 10.041 1.00 1.32 C ATOM 28 NZ LYS A 2 0.302 13.200 9.990 1.00 1.86 N ATOM 0 H LYS A 2 4.400 12.563 5.902 1.00 0.70 H new ATOM 0 HA LYS A 2 5.117 10.284 7.438 1.00 0.49 H new ATOM 0 HB2 LYS A 2 3.665 11.046 9.446 1.00 0.61 H new ATOM 0 HB3 LYS A 2 5.362 11.482 9.391 1.00 0.61 H new ATOM 0 HG2 LYS A 2 4.340 13.468 10.061 1.00 1.19 H new ATOM 0 HG3 LYS A 2 4.574 13.716 8.342 1.00 1.19 H new ATOM 0 HD2 LYS A 2 2.359 14.464 8.875 1.00 1.30 H new ATOM 0 HD3 LYS A 2 2.198 12.979 7.958 1.00 1.30 H new ATOM 0 HE2 LYS A 2 1.784 11.692 9.985 1.00 1.32 H new ATOM 0 HE3 LYS A 2 2.157 13.073 10.998 1.00 1.32 H new ATOM 0 HZ1 LYS A 2 -0.242 12.673 10.703 1.00 1.86 H new ATOM 0 HZ2 LYS A 2 0.234 14.219 10.187 1.00 1.86 H new ATOM 0 HZ3 LYS A 2 -0.085 13.003 9.045 1.00 1.86 H new ATOM 42 N SER A 3 2.264 10.232 7.809 1.00 0.32 N ATOM 43 CA SER A 3 0.895 9.880 7.462 1.00 0.24 C ATOM 44 C SER A 3 0.180 11.039 6.831 1.00 0.25 C ATOM 45 O SER A 3 0.360 12.196 7.212 1.00 0.41 O ATOM 46 CB SER A 3 0.135 9.465 8.702 1.00 0.29 C ATOM 47 OG SER A 3 -1.163 9.018 8.374 1.00 1.15 O ATOM 0 H SER A 3 2.518 10.020 8.774 1.00 0.32 H new ATOM 0 HA SER A 3 0.938 9.055 6.751 1.00 0.24 H new ATOM 0 HB2 SER A 3 0.677 8.672 9.217 1.00 0.29 H new ATOM 0 HB3 SER A 3 0.070 10.306 9.392 1.00 0.29 H new ATOM 0 HG SER A 3 -1.687 8.906 9.194 1.00 1.15 H new ATOM 53 N THR A 4 -0.637 10.721 5.871 1.00 0.20 N ATOM 54 CA THR A 4 -1.362 11.730 5.174 1.00 0.20 C ATOM 55 C THR A 4 -2.861 11.524 5.319 1.00 0.21 C ATOM 56 O THR A 4 -3.635 12.479 5.296 1.00 0.26 O ATOM 57 CB THR A 4 -0.970 11.732 3.699 1.00 0.19 C ATOM 58 OG1 THR A 4 -1.038 10.397 3.178 1.00 0.19 O ATOM 59 CG2 THR A 4 0.433 12.285 3.517 1.00 0.24 C ATOM 0 H THR A 4 -0.815 9.768 5.556 1.00 0.20 H new ATOM 0 HA THR A 4 -1.109 12.696 5.612 1.00 0.20 H new ATOM 0 HB THR A 4 -1.666 12.370 3.155 1.00 0.19 H new ATOM 0 HG1 THR A 4 -1.622 9.853 3.747 1.00 0.19 H new ATOM 0 HG21 THR A 4 0.693 12.278 2.458 1.00 0.24 H new ATOM 0 HG22 THR A 4 0.473 13.307 3.893 1.00 0.24 H new ATOM 0 HG23 THR A 4 1.142 11.668 4.069 1.00 0.24 H new ATOM 67 N GLY A 5 -3.263 10.270 5.491 1.00 0.19 N ATOM 68 CA GLY A 5 -4.671 9.941 5.466 1.00 0.22 C ATOM 69 C GLY A 5 -5.229 10.157 4.075 1.00 0.22 C ATOM 70 O GLY A 5 -6.341 10.651 3.895 1.00 0.36 O ATOM 0 H GLY A 5 -2.639 9.479 5.647 1.00 0.19 H new ATOM 0 HA2 GLY A 5 -4.816 8.904 5.768 1.00 0.22 H new ATOM 0 HA3 GLY A 5 -5.210 10.560 6.183 1.00 0.22 H new ATOM 74 N ILE A 6 -4.425 9.777 3.096 1.00 0.14 N ATOM 75 CA ILE A 6 -4.686 10.062 1.698 1.00 0.14 C ATOM 76 C ILE A 6 -5.122 8.787 0.988 1.00 0.12 C ATOM 77 O ILE A 6 -4.443 7.767 1.071 1.00 0.11 O ATOM 78 CB ILE A 6 -3.409 10.672 1.042 1.00 0.16 C ATOM 79 CG1 ILE A 6 -3.580 12.180 0.833 1.00 0.18 C ATOM 80 CG2 ILE A 6 -3.064 10.004 -0.286 1.00 0.17 C ATOM 81 CD1 ILE A 6 -3.817 12.961 2.105 1.00 0.19 C ATOM 0 H ILE A 6 -3.563 9.256 3.253 1.00 0.14 H new ATOM 0 HA ILE A 6 -5.493 10.790 1.611 1.00 0.14 H new ATOM 0 HB ILE A 6 -2.583 10.490 1.729 1.00 0.16 H new ATOM 0 HG12 ILE A 6 -2.689 12.570 0.342 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.417 12.349 0.156 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -2.168 10.464 -0.703 1.00 0.17 H new ATOM 0 HG22 ILE A 6 -2.884 8.941 -0.123 1.00 0.17 H new ATOM 0 HG23 ILE A 6 -3.893 10.129 -0.982 1.00 0.17 H new ATOM 0 HD11 ILE A 6 -3.927 14.019 1.867 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.725 12.601 2.589 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -2.970 12.827 2.778 1.00 0.19 H new ATOM 93 N VAL A 7 -6.266 8.824 0.322 1.00 0.13 N ATOM 94 CA VAL A 7 -6.773 7.621 -0.318 1.00 0.12 C ATOM 95 C VAL A 7 -6.361 7.564 -1.787 1.00 0.13 C ATOM 96 O VAL A 7 -6.273 8.592 -2.460 1.00 0.16 O ATOM 97 CB VAL A 7 -8.315 7.483 -0.209 1.00 0.15 C ATOM 98 CG1 VAL A 7 -8.814 7.946 1.148 1.00 0.22 C ATOM 99 CG2 VAL A 7 -9.047 8.208 -1.334 1.00 0.21 C ATOM 0 H VAL A 7 -6.849 9.654 0.212 1.00 0.13 H new ATOM 0 HA VAL A 7 -6.326 6.785 0.220 1.00 0.12 H new ATOM 0 HB VAL A 7 -8.541 6.422 -0.314 1.00 0.15 H new ATOM 0 HG11 VAL A 7 -9.898 7.837 1.194 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -8.355 7.341 1.930 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -8.548 8.993 1.296 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.122 8.080 -1.210 1.00 0.21 H new ATOM 0 HG22 VAL A 7 -8.802 9.270 -1.302 1.00 0.21 H new ATOM 0 HG23 VAL A 7 -8.740 7.793 -2.294 1.00 0.21 H new ATOM 109 N ARG A 8 -6.092 6.359 -2.267 1.00 0.12 N ATOM 110 CA ARG A 8 -5.769 6.134 -3.671 1.00 0.14 C ATOM 111 C ARG A 8 -6.522 4.925 -4.193 1.00 0.15 C ATOM 112 O ARG A 8 -6.961 4.080 -3.414 1.00 0.13 O ATOM 113 CB ARG A 8 -4.265 5.932 -3.867 1.00 0.14 C ATOM 114 CG ARG A 8 -3.458 7.184 -3.617 1.00 0.20 C ATOM 115 CD ARG A 8 -3.990 8.301 -4.481 1.00 0.32 C ATOM 116 NE ARG A 8 -3.192 9.526 -4.376 1.00 0.48 N ATOM 117 CZ ARG A 8 -3.689 10.699 -3.977 1.00 0.65 C ATOM 118 NH1 ARG A 8 -4.967 10.796 -3.631 1.00 1.60 N ATOM 119 NH2 ARG A 8 -2.906 11.770 -3.909 1.00 0.67 N ATOM 0 H ARG A 8 -6.091 5.512 -1.699 1.00 0.12 H new ATOM 0 HA ARG A 8 -6.072 7.019 -4.231 1.00 0.14 H new ATOM 0 HB2 ARG A 8 -3.920 5.145 -3.196 1.00 0.14 H new ATOM 0 HB3 ARG A 8 -4.081 5.586 -4.884 1.00 0.14 H new ATOM 0 HG2 ARG A 8 -3.516 7.464 -2.565 1.00 0.20 H new ATOM 0 HG3 ARG A 8 -2.407 7.004 -3.842 1.00 0.20 H new ATOM 0 HD2 ARG A 8 -4.010 7.973 -5.520 1.00 0.32 H new ATOM 0 HD3 ARG A 8 -5.019 8.517 -4.195 1.00 0.32 H new ATOM 0 HE ARG A 8 -2.203 9.480 -4.621 1.00 0.48 H new ATOM 0 HH11 ARG A 8 -5.570 9.974 -3.670 1.00 1.60 H new ATOM 0 HH12 ARG A 8 -5.346 11.692 -3.326 1.00 1.60 H new ATOM 0 HH21 ARG A 8 -1.921 11.698 -4.162 1.00 0.67 H new ATOM 0 HH22 ARG A 8 -3.290 12.664 -3.604 1.00 0.67 H new ATOM 133 N LYS A 9 -6.677 4.859 -5.504 1.00 0.18 N ATOM 134 CA LYS A 9 -7.325 3.724 -6.153 1.00 0.19 C ATOM 135 C LYS A 9 -6.361 2.554 -6.268 1.00 0.18 C ATOM 136 O LYS A 9 -5.142 2.739 -6.289 1.00 0.21 O ATOM 137 CB LYS A 9 -7.791 4.111 -7.559 1.00 0.23 C ATOM 138 CG LYS A 9 -8.816 5.230 -7.598 1.00 0.34 C ATOM 139 CD LYS A 9 -10.235 4.697 -7.456 1.00 0.43 C ATOM 140 CE LYS A 9 -10.775 4.856 -6.045 1.00 0.37 C ATOM 141 NZ LYS A 9 -11.015 6.283 -5.703 1.00 1.09 N ATOM 0 H LYS A 9 -6.361 5.584 -6.148 1.00 0.18 H new ATOM 0 HA LYS A 9 -8.182 3.435 -5.545 1.00 0.19 H new ATOM 0 HB2 LYS A 9 -6.923 4.410 -8.146 1.00 0.23 H new ATOM 0 HB3 LYS A 9 -8.215 3.231 -8.043 1.00 0.23 H new ATOM 0 HG2 LYS A 9 -8.611 5.939 -6.796 1.00 0.34 H new ATOM 0 HG3 LYS A 9 -8.724 5.775 -8.537 1.00 0.34 H new ATOM 0 HD2 LYS A 9 -10.889 5.221 -8.153 1.00 0.43 H new ATOM 0 HD3 LYS A 9 -10.254 3.643 -7.733 1.00 0.43 H new ATOM 0 HE2 LYS A 9 -11.706 4.297 -5.947 1.00 0.37 H new ATOM 0 HE3 LYS A 9 -10.069 4.426 -5.335 1.00 0.37 H new ATOM 0 HZ1 LYS A 9 -11.716 6.343 -4.937 1.00 1.09 H new ATOM 0 HZ2 LYS A 9 -10.124 6.720 -5.392 1.00 1.09 H new ATOM 0 HZ3 LYS A 9 -11.373 6.785 -6.540 1.00 1.09 H new ATOM 155 N VAL A 10 -6.917 1.355 -6.361 1.00 0.17 N ATOM 156 CA VAL A 10 -6.115 0.148 -6.528 1.00 0.17 C ATOM 157 C VAL A 10 -5.894 -0.121 -8.026 1.00 0.22 C ATOM 158 O VAL A 10 -5.502 -1.218 -8.444 1.00 0.25 O ATOM 159 CB VAL A 10 -6.783 -1.060 -5.822 1.00 0.19 C ATOM 160 CG1 VAL A 10 -5.883 -2.287 -5.817 1.00 0.22 C ATOM 161 CG2 VAL A 10 -7.162 -0.688 -4.397 1.00 0.20 C ATOM 0 H VAL A 10 -7.923 1.190 -6.324 1.00 0.17 H new ATOM 0 HA VAL A 10 -5.142 0.295 -6.058 1.00 0.17 H new ATOM 0 HB VAL A 10 -7.681 -1.313 -6.385 1.00 0.19 H new ATOM 0 HG11 VAL A 10 -6.391 -3.109 -5.312 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.656 -2.576 -6.843 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -4.956 -2.056 -5.292 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -7.630 -1.543 -3.910 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -6.267 -0.402 -3.845 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -7.861 0.148 -4.413 1.00 0.20 H new ATOM 171 N ASP A 11 -6.168 0.910 -8.828 1.00 0.24 N ATOM 172 CA ASP A 11 -5.805 0.938 -10.242 1.00 0.35 C ATOM 173 C ASP A 11 -6.711 0.019 -11.058 1.00 0.44 C ATOM 174 O ASP A 11 -7.884 0.319 -11.269 1.00 0.77 O ATOM 175 CB ASP A 11 -4.320 0.564 -10.398 1.00 0.41 C ATOM 176 CG ASP A 11 -3.784 0.626 -11.812 1.00 0.49 C ATOM 177 OD1 ASP A 11 -3.611 1.745 -12.342 1.00 1.32 O ATOM 178 OD2 ASP A 11 -3.486 -0.452 -12.376 1.00 1.11 O ATOM 0 H ASP A 11 -6.650 1.751 -8.511 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.948 1.946 -10.630 1.00 0.35 H new ATOM 0 HB2 ASP A 11 -3.727 1.231 -9.772 1.00 0.41 H new ATOM 0 HB3 ASP A 11 -4.174 -0.446 -10.015 1.00 0.41 H new ATOM 183 N GLU A 12 -6.164 -1.090 -11.515 1.00 0.34 N ATOM 184 CA GLU A 12 -6.911 -2.070 -12.287 1.00 0.38 C ATOM 185 C GLU A 12 -6.242 -3.428 -12.186 1.00 0.29 C ATOM 186 O GLU A 12 -6.892 -4.455 -12.021 1.00 0.35 O ATOM 187 CB GLU A 12 -7.000 -1.633 -13.752 1.00 0.58 C ATOM 188 CG GLU A 12 -5.830 -0.771 -14.188 1.00 0.72 C ATOM 189 CD GLU A 12 -6.095 -0.011 -15.468 1.00 1.25 C ATOM 190 OE1 GLU A 12 -6.665 1.100 -15.399 1.00 1.53 O ATOM 191 OE2 GLU A 12 -5.709 -0.505 -16.545 1.00 2.06 O ATOM 0 H GLU A 12 -5.187 -1.340 -11.362 1.00 0.34 H new ATOM 0 HA GLU A 12 -7.921 -2.142 -11.883 1.00 0.38 H new ATOM 0 HB2 GLU A 12 -7.048 -2.518 -14.387 1.00 0.58 H new ATOM 0 HB3 GLU A 12 -7.927 -1.081 -13.905 1.00 0.58 H new ATOM 0 HG2 GLU A 12 -5.594 -0.062 -13.394 1.00 0.72 H new ATOM 0 HG3 GLU A 12 -4.952 -1.403 -14.323 1.00 0.72 H new ATOM 198 N LEU A 13 -4.924 -3.422 -12.272 1.00 0.25 N ATOM 199 CA LEU A 13 -4.160 -4.652 -12.169 1.00 0.25 C ATOM 200 C LEU A 13 -3.908 -5.000 -10.706 1.00 0.26 C ATOM 201 O LEU A 13 -3.341 -6.045 -10.393 1.00 0.41 O ATOM 202 CB LEU A 13 -2.843 -4.537 -12.947 1.00 0.33 C ATOM 203 CG LEU A 13 -2.969 -4.651 -14.477 1.00 0.41 C ATOM 204 CD1 LEU A 13 -3.615 -5.972 -14.858 1.00 0.45 C ATOM 205 CD2 LEU A 13 -3.759 -3.485 -15.063 1.00 0.40 C ATOM 0 H LEU A 13 -4.362 -2.582 -12.412 1.00 0.25 H new ATOM 0 HA LEU A 13 -4.740 -5.461 -12.613 1.00 0.25 H new ATOM 0 HB2 LEU A 13 -2.382 -3.579 -12.708 1.00 0.33 H new ATOM 0 HB3 LEU A 13 -2.164 -5.314 -12.596 1.00 0.33 H new ATOM 0 HG LEU A 13 -1.963 -4.615 -14.896 1.00 0.41 H new ATOM 0 HD11 LEU A 13 -3.697 -6.037 -15.943 1.00 0.45 H new ATOM 0 HD12 LEU A 13 -3.003 -6.796 -14.490 1.00 0.45 H new ATOM 0 HD13 LEU A 13 -4.609 -6.032 -14.415 1.00 0.45 H new ATOM 0 HD21 LEU A 13 -3.828 -3.599 -16.145 1.00 0.40 H new ATOM 0 HD22 LEU A 13 -4.761 -3.473 -14.635 1.00 0.40 H new ATOM 0 HD23 LEU A 13 -3.253 -2.548 -14.828 1.00 0.40 H new ATOM 217 N GLY A 14 -4.317 -4.100 -9.820 1.00 0.19 N ATOM 218 CA GLY A 14 -4.287 -4.381 -8.399 1.00 0.18 C ATOM 219 C GLY A 14 -3.190 -3.632 -7.706 1.00 0.15 C ATOM 220 O GLY A 14 -2.783 -3.984 -6.615 1.00 0.18 O ATOM 0 H GLY A 14 -4.671 -3.175 -10.064 1.00 0.19 H new ATOM 0 HA2 GLY A 14 -5.246 -4.114 -7.955 1.00 0.18 H new ATOM 0 HA3 GLY A 14 -4.151 -5.451 -8.243 1.00 0.18 H new ATOM 224 N ARG A 15 -2.698 -2.604 -8.352 1.00 0.14 N ATOM 225 CA ARG A 15 -1.641 -1.799 -7.794 1.00 0.13 C ATOM 226 C ARG A 15 -2.158 -0.449 -7.302 1.00 0.14 C ATOM 227 O ARG A 15 -2.699 0.332 -8.069 1.00 0.17 O ATOM 228 CB ARG A 15 -0.545 -1.627 -8.839 1.00 0.13 C ATOM 229 CG ARG A 15 -1.058 -1.181 -10.193 1.00 0.23 C ATOM 230 CD ARG A 15 -0.389 -1.946 -11.317 1.00 0.37 C ATOM 231 NE ARG A 15 -0.926 -1.575 -12.627 1.00 0.86 N ATOM 232 CZ ARG A 15 -0.251 -1.708 -13.771 1.00 1.03 C ATOM 233 NH1 ARG A 15 0.997 -2.156 -13.758 1.00 1.33 N ATOM 234 NH2 ARG A 15 -0.814 -1.371 -14.925 1.00 1.58 N ATOM 0 H ARG A 15 -3.017 -2.303 -9.273 1.00 0.14 H new ATOM 0 HA ARG A 15 -1.231 -2.308 -6.922 1.00 0.13 H new ATOM 0 HB2 ARG A 15 0.179 -0.897 -8.476 1.00 0.13 H new ATOM 0 HB3 ARG A 15 -0.014 -2.572 -8.955 1.00 0.13 H new ATOM 0 HG2 ARG A 15 -2.137 -1.329 -10.242 1.00 0.23 H new ATOM 0 HG3 ARG A 15 -0.877 -0.114 -10.319 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.684 -1.755 -11.297 1.00 0.37 H new ATOM 0 HD3 ARG A 15 -0.525 -3.016 -11.159 1.00 0.37 H new ATOM 0 HE ARG A 15 -1.871 -1.193 -12.668 1.00 0.86 H new ATOM 0 HH11 ARG A 15 1.442 -2.399 -12.873 1.00 1.33 H new ATOM 0 HH12 ARG A 15 1.512 -2.257 -14.633 1.00 1.33 H new ATOM 0 HH21 ARG A 15 -1.767 -1.008 -14.941 1.00 1.58 H new ATOM 0 HH22 ARG A 15 -0.293 -1.475 -15.796 1.00 1.58 H new ATOM 248 N VAL A 16 -1.963 -0.164 -6.021 1.00 0.14 N ATOM 249 CA VAL A 16 -2.411 1.101 -5.467 1.00 0.14 C ATOM 250 C VAL A 16 -1.356 2.151 -5.754 1.00 0.12 C ATOM 251 O VAL A 16 -0.176 1.949 -5.471 1.00 0.12 O ATOM 252 CB VAL A 16 -2.675 1.023 -3.937 1.00 0.15 C ATOM 253 CG1 VAL A 16 -1.391 0.963 -3.134 1.00 0.15 C ATOM 254 CG2 VAL A 16 -3.539 2.187 -3.479 1.00 0.17 C ATOM 0 H VAL A 16 -1.503 -0.785 -5.355 1.00 0.14 H new ATOM 0 HA VAL A 16 -3.360 1.361 -5.937 1.00 0.14 H new ATOM 0 HB VAL A 16 -3.213 0.093 -3.754 1.00 0.15 H new ATOM 0 HG11 VAL A 16 -1.628 0.910 -2.072 1.00 0.15 H new ATOM 0 HG12 VAL A 16 -0.822 0.080 -3.423 1.00 0.15 H new ATOM 0 HG13 VAL A 16 -0.798 1.857 -3.329 1.00 0.15 H new ATOM 0 HG21 VAL A 16 -3.711 2.112 -2.405 1.00 0.17 H new ATOM 0 HG22 VAL A 16 -3.032 3.126 -3.701 1.00 0.17 H new ATOM 0 HG23 VAL A 16 -4.495 2.159 -4.002 1.00 0.17 H new ATOM 264 N VAL A 17 -1.757 3.252 -6.355 1.00 0.12 N ATOM 265 CA VAL A 17 -0.791 4.266 -6.722 1.00 0.11 C ATOM 266 C VAL A 17 -0.381 5.044 -5.489 1.00 0.10 C ATOM 267 O VAL A 17 -0.959 6.085 -5.168 1.00 0.12 O ATOM 268 CB VAL A 17 -1.323 5.232 -7.802 1.00 0.14 C ATOM 269 CG1 VAL A 17 -0.210 6.134 -8.320 1.00 0.16 C ATOM 270 CG2 VAL A 17 -1.970 4.465 -8.945 1.00 0.19 C ATOM 0 H VAL A 17 -2.725 3.465 -6.596 1.00 0.12 H new ATOM 0 HA VAL A 17 0.071 3.755 -7.150 1.00 0.11 H new ATOM 0 HB VAL A 17 -2.084 5.862 -7.343 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.610 6.805 -9.080 1.00 0.16 H new ATOM 0 HG12 VAL A 17 0.197 6.720 -7.496 1.00 0.16 H new ATOM 0 HG13 VAL A 17 0.581 5.523 -8.756 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -2.337 5.168 -9.693 1.00 0.19 H new ATOM 0 HG22 VAL A 17 -1.235 3.802 -9.400 1.00 0.19 H new ATOM 0 HG23 VAL A 17 -2.803 3.875 -8.562 1.00 0.19 H new ATOM 280 N ILE A 18 0.598 4.500 -4.781 1.00 0.10 N ATOM 281 CA ILE A 18 1.111 5.132 -3.595 1.00 0.10 C ATOM 282 C ILE A 18 1.819 6.424 -3.975 1.00 0.10 C ATOM 283 O ILE A 18 2.753 6.416 -4.778 1.00 0.11 O ATOM 284 CB ILE A 18 2.054 4.215 -2.785 1.00 0.12 C ATOM 285 CG1 ILE A 18 2.928 5.040 -1.831 1.00 0.15 C ATOM 286 CG2 ILE A 18 2.909 3.339 -3.692 1.00 0.14 C ATOM 287 CD1 ILE A 18 3.718 4.206 -0.850 1.00 0.20 C ATOM 0 H ILE A 18 1.049 3.616 -5.017 1.00 0.10 H new ATOM 0 HA ILE A 18 0.262 5.349 -2.946 1.00 0.10 H new ATOM 0 HB ILE A 18 1.431 3.549 -2.189 1.00 0.12 H new ATOM 0 HG12 ILE A 18 3.619 5.645 -2.418 1.00 0.15 H new ATOM 0 HG13 ILE A 18 2.292 5.730 -1.277 1.00 0.15 H new ATOM 0 HG21 ILE A 18 3.558 2.709 -3.083 1.00 0.14 H new ATOM 0 HG22 ILE A 18 2.263 2.710 -4.304 1.00 0.14 H new ATOM 0 HG23 ILE A 18 3.519 3.970 -4.338 1.00 0.14 H new ATOM 0 HD11 ILE A 18 4.310 4.860 -0.211 1.00 0.20 H new ATOM 0 HD12 ILE A 18 3.033 3.621 -0.236 1.00 0.20 H new ATOM 0 HD13 ILE A 18 4.381 3.534 -1.395 1.00 0.20 H new ATOM 299 N PRO A 19 1.368 7.550 -3.423 1.00 0.14 N ATOM 300 CA PRO A 19 1.845 8.869 -3.831 1.00 0.17 C ATOM 301 C PRO A 19 3.358 9.028 -3.756 1.00 0.18 C ATOM 302 O PRO A 19 4.018 8.484 -2.861 1.00 0.15 O ATOM 303 CB PRO A 19 1.168 9.814 -2.847 1.00 0.22 C ATOM 304 CG PRO A 19 -0.053 9.082 -2.410 1.00 0.22 C ATOM 305 CD PRO A 19 0.344 7.636 -2.370 1.00 0.19 C ATOM 0 HA PRO A 19 1.606 9.060 -4.877 1.00 0.17 H new ATOM 0 HB2 PRO A 19 1.819 10.041 -2.002 1.00 0.22 H new ATOM 0 HB3 PRO A 19 0.915 10.764 -3.318 1.00 0.22 H new ATOM 0 HG2 PRO A 19 -0.388 9.425 -1.431 1.00 0.22 H new ATOM 0 HG3 PRO A 19 -0.878 9.244 -3.104 1.00 0.22 H new ATOM 0 HD2 PRO A 19 0.741 7.352 -1.395 1.00 0.19 H new ATOM 0 HD3 PRO A 19 -0.501 6.979 -2.573 1.00 0.19 H new ATOM 313 N ILE A 20 3.885 9.813 -4.689 1.00 0.24 N ATOM 314 CA ILE A 20 5.312 10.110 -4.766 1.00 0.27 C ATOM 315 C ILE A 20 5.827 10.645 -3.438 1.00 0.27 C ATOM 316 O ILE A 20 6.939 10.351 -3.014 1.00 0.26 O ATOM 317 CB ILE A 20 5.596 11.152 -5.871 1.00 0.39 C ATOM 318 CG1 ILE A 20 4.876 12.481 -5.583 1.00 0.47 C ATOM 319 CG2 ILE A 20 5.179 10.600 -7.224 1.00 0.44 C ATOM 320 CD1 ILE A 20 5.765 13.533 -4.947 1.00 0.51 C ATOM 0 H ILE A 20 3.332 10.264 -5.418 1.00 0.24 H new ATOM 0 HA ILE A 20 5.827 9.179 -5.004 1.00 0.27 H new ATOM 0 HB ILE A 20 6.667 11.353 -5.885 1.00 0.39 H new ATOM 0 HG12 ILE A 20 4.473 12.875 -6.516 1.00 0.47 H new ATOM 0 HG13 ILE A 20 4.028 12.289 -4.925 1.00 0.47 H new ATOM 0 HG21 ILE A 20 5.382 11.341 -7.997 1.00 0.44 H new ATOM 0 HG22 ILE A 20 5.742 9.691 -7.435 1.00 0.44 H new ATOM 0 HG23 ILE A 20 4.113 10.372 -7.211 1.00 0.44 H new ATOM 0 HD11 ILE A 20 5.188 14.441 -4.774 1.00 0.51 H new ATOM 0 HD12 ILE A 20 6.148 13.160 -3.997 1.00 0.51 H new ATOM 0 HD13 ILE A 20 6.599 13.755 -5.612 1.00 0.51 H new ATOM 332 N GLU A 21 4.977 11.406 -2.784 1.00 0.31 N ATOM 333 CA GLU A 21 5.330 12.101 -1.566 1.00 0.35 C ATOM 334 C GLU A 21 5.451 11.127 -0.415 1.00 0.31 C ATOM 335 O GLU A 21 6.338 11.242 0.437 1.00 0.32 O ATOM 336 CB GLU A 21 4.280 13.174 -1.278 1.00 0.42 C ATOM 337 CG GLU A 21 2.875 12.774 -1.713 1.00 0.62 C ATOM 338 CD GLU A 21 1.866 13.888 -1.523 1.00 0.61 C ATOM 339 OE1 GLU A 21 1.661 14.325 -0.371 1.00 1.17 O ATOM 340 OE2 GLU A 21 1.272 14.331 -2.526 1.00 1.33 O ATOM 0 H GLU A 21 4.015 11.561 -3.085 1.00 0.31 H new ATOM 0 HA GLU A 21 6.300 12.583 -1.688 1.00 0.35 H new ATOM 0 HB2 GLU A 21 4.275 13.390 -0.210 1.00 0.42 H new ATOM 0 HB3 GLU A 21 4.562 14.095 -1.788 1.00 0.42 H new ATOM 0 HG2 GLU A 21 2.893 12.481 -2.763 1.00 0.62 H new ATOM 0 HG3 GLU A 21 2.557 11.900 -1.144 1.00 0.62 H new ATOM 347 N LEU A 22 4.584 10.141 -0.410 1.00 0.28 N ATOM 348 CA LEU A 22 4.637 9.133 0.612 1.00 0.27 C ATOM 349 C LEU A 22 5.818 8.217 0.387 1.00 0.24 C ATOM 350 O LEU A 22 6.545 7.910 1.322 1.00 0.26 O ATOM 351 CB LEU A 22 3.339 8.355 0.676 1.00 0.27 C ATOM 352 CG LEU A 22 2.243 9.072 1.445 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.484 10.037 0.553 1.00 0.34 C ATOM 354 CD2 LEU A 22 1.311 8.067 2.084 1.00 0.32 C ATOM 0 H LEU A 22 3.841 10.019 -1.098 1.00 0.28 H new ATOM 0 HA LEU A 22 4.769 9.625 1.575 1.00 0.27 H new ATOM 0 HB2 LEU A 22 2.992 8.158 -0.338 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.526 7.388 1.142 1.00 0.27 H new ATOM 0 HG LEU A 22 2.708 9.661 2.235 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.707 10.534 1.133 1.00 0.34 H new ATOM 0 HD12 LEU A 22 2.172 10.783 0.155 1.00 0.34 H new ATOM 0 HD13 LEU A 22 1.027 9.488 -0.271 1.00 0.34 H new ATOM 0 HD21 LEU A 22 0.530 8.593 2.632 1.00 0.32 H new ATOM 0 HD22 LEU A 22 0.857 7.448 1.310 1.00 0.32 H new ATOM 0 HD23 LEU A 22 1.873 7.435 2.771 1.00 0.32 H new ATOM 366 N ARG A 23 6.056 7.834 -0.860 1.00 0.20 N ATOM 367 CA ARG A 23 7.200 6.990 -1.165 1.00 0.19 C ATOM 368 C ARG A 23 8.477 7.795 -0.971 1.00 0.19 C ATOM 369 O ARG A 23 9.563 7.243 -0.833 1.00 0.20 O ATOM 370 CB ARG A 23 7.088 6.410 -2.588 1.00 0.21 C ATOM 371 CG ARG A 23 7.278 7.424 -3.703 1.00 0.28 C ATOM 372 CD ARG A 23 8.745 7.553 -4.087 1.00 0.31 C ATOM 373 NE ARG A 23 9.038 8.799 -4.785 1.00 0.70 N ATOM 374 CZ ARG A 23 10.127 9.531 -4.553 1.00 0.89 C ATOM 375 NH1 ARG A 23 11.063 9.079 -3.726 1.00 0.91 N ATOM 376 NH2 ARG A 23 10.294 10.697 -5.166 1.00 1.38 N ATOM 0 H ARG A 23 5.482 8.090 -1.664 1.00 0.20 H new ATOM 0 HA ARG A 23 7.224 6.139 -0.484 1.00 0.19 H new ATOM 0 HB2 ARG A 23 7.830 5.620 -2.703 1.00 0.21 H new ATOM 0 HB3 ARG A 23 6.108 5.946 -2.700 1.00 0.21 H new ATOM 0 HG2 ARG A 23 6.697 7.123 -4.574 1.00 0.28 H new ATOM 0 HG3 ARG A 23 6.896 8.394 -3.385 1.00 0.28 H new ATOM 0 HD2 ARG A 23 9.358 7.493 -3.188 1.00 0.31 H new ATOM 0 HD3 ARG A 23 9.025 6.712 -4.721 1.00 0.31 H new ATOM 0 HE ARG A 23 8.375 9.127 -5.487 1.00 0.70 H new ATOM 0 HH11 ARG A 23 10.947 8.174 -3.270 1.00 0.91 H new ATOM 0 HH12 ARG A 23 11.898 9.637 -3.547 1.00 0.91 H new ATOM 0 HH21 ARG A 23 9.587 11.036 -5.818 1.00 1.38 H new ATOM 0 HH22 ARG A 23 11.129 11.253 -4.985 1.00 1.38 H new ATOM 390 N ARG A 24 8.318 9.107 -0.936 1.00 0.22 N ATOM 391 CA ARG A 24 9.404 10.010 -0.611 1.00 0.25 C ATOM 392 C ARG A 24 9.589 10.026 0.897 1.00 0.26 C ATOM 393 O ARG A 24 10.695 10.204 1.402 1.00 0.30 O ATOM 394 CB ARG A 24 9.068 11.401 -1.140 1.00 0.32 C ATOM 395 CG ARG A 24 10.217 12.393 -1.098 1.00 0.35 C ATOM 396 CD ARG A 24 10.348 13.027 0.270 1.00 0.69 C ATOM 397 NE ARG A 24 11.575 13.808 0.403 1.00 0.77 N ATOM 398 CZ ARG A 24 11.613 15.130 0.594 1.00 1.12 C ATOM 399 NH1 ARG A 24 10.488 15.838 0.616 1.00 1.94 N ATOM 400 NH2 ARG A 24 12.777 15.747 0.741 1.00 1.19 N ATOM 0 H ARG A 24 7.433 9.574 -1.132 1.00 0.22 H new ATOM 0 HA ARG A 24 10.335 9.682 -1.074 1.00 0.25 H new ATOM 0 HB2 ARG A 24 8.723 11.309 -2.170 1.00 0.32 H new ATOM 0 HB3 ARG A 24 8.237 11.804 -0.561 1.00 0.32 H new ATOM 0 HG2 ARG A 24 11.147 11.887 -1.357 1.00 0.35 H new ATOM 0 HG3 ARG A 24 10.058 13.169 -1.847 1.00 0.35 H new ATOM 0 HD2 ARG A 24 9.488 13.671 0.453 1.00 0.69 H new ATOM 0 HD3 ARG A 24 10.331 12.248 1.032 1.00 0.69 H new ATOM 0 HE ARG A 24 12.464 13.310 0.346 1.00 0.77 H new ATOM 0 HH11 ARG A 24 9.590 15.372 0.487 1.00 1.94 H new ATOM 0 HH12 ARG A 24 10.523 16.847 0.762 1.00 1.94 H new ATOM 0 HH21 ARG A 24 13.645 15.213 0.708 1.00 1.19 H new ATOM 0 HH22 ARG A 24 12.804 16.756 0.887 1.00 1.19 H new ATOM 414 N THR A 25 8.493 9.802 1.604 1.00 0.28 N ATOM 415 CA THR A 25 8.506 9.760 3.048 1.00 0.34 C ATOM 416 C THR A 25 9.301 8.556 3.529 1.00 0.32 C ATOM 417 O THR A 25 10.088 8.647 4.472 1.00 0.36 O ATOM 418 CB THR A 25 7.073 9.708 3.609 1.00 0.39 C ATOM 419 OG1 THR A 25 6.357 10.890 3.219 1.00 0.43 O ATOM 420 CG2 THR A 25 7.076 9.584 5.123 1.00 0.48 C ATOM 0 H THR A 25 7.574 9.645 1.190 1.00 0.28 H new ATOM 0 HA THR A 25 8.982 10.670 3.412 1.00 0.34 H new ATOM 0 HB THR A 25 6.580 8.827 3.199 1.00 0.39 H new ATOM 0 HG1 THR A 25 6.348 10.960 2.242 1.00 0.43 H new ATOM 0 HG21 THR A 25 6.049 9.550 5.487 1.00 0.48 H new ATOM 0 HG22 THR A 25 7.594 8.670 5.412 1.00 0.48 H new ATOM 0 HG23 THR A 25 7.587 10.443 5.557 1.00 0.48 H new ATOM 428 N LEU A 26 9.104 7.428 2.860 1.00 0.29 N ATOM 429 CA LEU A 26 9.856 6.225 3.185 1.00 0.32 C ATOM 430 C LEU A 26 11.215 6.290 2.505 1.00 0.30 C ATOM 431 O LEU A 26 12.152 5.583 2.874 1.00 0.38 O ATOM 432 CB LEU A 26 9.137 4.947 2.737 1.00 0.38 C ATOM 433 CG LEU A 26 7.635 4.830 3.040 1.00 0.47 C ATOM 434 CD1 LEU A 26 7.205 5.689 4.223 1.00 0.58 C ATOM 435 CD2 LEU A 26 6.824 5.151 1.803 1.00 0.56 C ATOM 0 H LEU A 26 8.436 7.321 2.096 1.00 0.29 H new ATOM 0 HA LEU A 26 9.960 6.185 4.269 1.00 0.32 H new ATOM 0 HB2 LEU A 26 9.271 4.847 1.660 1.00 0.38 H new ATOM 0 HB3 LEU A 26 9.640 4.099 3.201 1.00 0.38 H new ATOM 0 HG LEU A 26 7.442 3.797 3.329 1.00 0.47 H new ATOM 0 HD11 LEU A 26 6.135 5.567 4.391 1.00 0.58 H new ATOM 0 HD12 LEU A 26 7.750 5.379 5.115 1.00 0.58 H new ATOM 0 HD13 LEU A 26 7.422 6.736 4.010 1.00 0.58 H new ATOM 0 HD21 LEU A 26 5.762 5.064 2.032 1.00 0.56 H new ATOM 0 HD22 LEU A 26 7.043 6.168 1.478 1.00 0.56 H new ATOM 0 HD23 LEU A 26 7.082 4.452 1.007 1.00 0.56 H new ATOM 447 N GLY A 27 11.294 7.145 1.492 1.00 0.24 N ATOM 448 CA GLY A 27 12.511 7.302 0.722 1.00 0.26 C ATOM 449 C GLY A 27 12.736 6.146 -0.234 1.00 0.30 C ATOM 450 O GLY A 27 13.856 5.908 -0.685 1.00 0.42 O ATOM 0 H GLY A 27 10.523 7.740 1.188 1.00 0.24 H new ATOM 0 HA2 GLY A 27 12.465 8.234 0.158 1.00 0.26 H new ATOM 0 HA3 GLY A 27 13.361 7.381 1.400 1.00 0.26 H new ATOM 454 N ILE A 28 11.660 5.429 -0.530 1.00 0.28 N ATOM 455 CA ILE A 28 11.684 4.360 -1.515 1.00 0.32 C ATOM 456 C ILE A 28 11.505 4.936 -2.919 1.00 0.26 C ATOM 457 O ILE A 28 11.727 6.129 -3.152 1.00 0.29 O ATOM 458 CB ILE A 28 10.564 3.332 -1.249 1.00 0.38 C ATOM 459 CG1 ILE A 28 9.198 3.982 -1.442 1.00 0.41 C ATOM 460 CG2 ILE A 28 10.701 2.743 0.149 1.00 0.70 C ATOM 461 CD1 ILE A 28 8.057 3.003 -1.394 1.00 0.49 C ATOM 0 H ILE A 28 10.749 5.573 -0.094 1.00 0.28 H new ATOM 0 HA ILE A 28 12.649 3.859 -1.438 1.00 0.32 H new ATOM 0 HB ILE A 28 10.657 2.516 -1.965 1.00 0.38 H new ATOM 0 HG12 ILE A 28 9.051 4.737 -0.670 1.00 0.41 H new ATOM 0 HG13 ILE A 28 9.183 4.499 -2.401 1.00 0.41 H new ATOM 0 HG21 ILE A 28 9.903 2.020 0.319 1.00 0.70 H new ATOM 0 HG22 ILE A 28 11.667 2.246 0.241 1.00 0.70 H new ATOM 0 HG23 ILE A 28 10.632 3.541 0.888 1.00 0.70 H new ATOM 0 HD11 ILE A 28 7.116 3.534 -1.538 1.00 0.49 H new ATOM 0 HD12 ILE A 28 8.180 2.262 -2.183 1.00 0.49 H new ATOM 0 HD13 ILE A 28 8.047 2.503 -0.425 1.00 0.49 H new ATOM 473 N ALA A 29 11.076 4.091 -3.835 1.00 0.23 N ATOM 474 CA ALA A 29 10.896 4.477 -5.219 1.00 0.25 C ATOM 475 C ALA A 29 9.979 3.495 -5.918 1.00 0.25 C ATOM 476 O ALA A 29 9.511 2.541 -5.309 1.00 0.28 O ATOM 477 CB ALA A 29 12.241 4.555 -5.926 1.00 0.31 C ATOM 0 H ALA A 29 10.842 3.117 -3.640 1.00 0.23 H new ATOM 0 HA ALA A 29 10.435 5.464 -5.253 1.00 0.25 H new ATOM 0 HB1 ALA A 29 12.089 4.846 -6.965 1.00 0.31 H new ATOM 0 HB2 ALA A 29 12.870 5.294 -5.430 1.00 0.31 H new ATOM 0 HB3 ALA A 29 12.728 3.581 -5.890 1.00 0.31 H new ATOM 483 N GLU A 30 9.742 3.727 -7.195 1.00 0.24 N ATOM 484 CA GLU A 30 8.850 2.889 -7.986 1.00 0.26 C ATOM 485 C GLU A 30 9.486 1.542 -8.264 1.00 0.24 C ATOM 486 O GLU A 30 8.805 0.534 -8.433 1.00 0.26 O ATOM 487 CB GLU A 30 8.537 3.597 -9.304 1.00 0.35 C ATOM 488 CG GLU A 30 9.808 4.040 -10.019 1.00 0.44 C ATOM 489 CD GLU A 30 9.587 4.585 -11.411 1.00 1.17 C ATOM 490 OE1 GLU A 30 9.542 3.776 -12.366 1.00 2.00 O ATOM 491 OE2 GLU A 30 9.511 5.824 -11.563 1.00 1.68 O ATOM 0 H GLU A 30 10.159 4.499 -7.716 1.00 0.24 H new ATOM 0 HA GLU A 30 7.930 2.723 -7.426 1.00 0.26 H new ATOM 0 HB2 GLU A 30 7.969 2.928 -9.951 1.00 0.35 H new ATOM 0 HB3 GLU A 30 7.906 4.465 -9.111 1.00 0.35 H new ATOM 0 HG2 GLU A 30 10.301 4.804 -9.417 1.00 0.44 H new ATOM 0 HG3 GLU A 30 10.490 3.192 -10.079 1.00 0.44 H new ATOM 498 N LYS A 31 10.796 1.539 -8.307 1.00 0.25 N ATOM 499 CA LYS A 31 11.544 0.333 -8.567 1.00 0.25 C ATOM 500 C LYS A 31 11.838 -0.358 -7.253 1.00 0.23 C ATOM 501 O LYS A 31 12.502 -1.393 -7.211 1.00 0.28 O ATOM 502 CB LYS A 31 12.833 0.683 -9.297 1.00 0.30 C ATOM 503 CG LYS A 31 12.656 1.757 -10.358 1.00 0.41 C ATOM 504 CD LYS A 31 12.062 1.223 -11.656 1.00 0.50 C ATOM 505 CE LYS A 31 10.605 0.821 -11.507 1.00 0.44 C ATOM 506 NZ LYS A 31 9.844 1.004 -12.768 1.00 0.67 N ATOM 0 H LYS A 31 11.372 2.369 -8.163 1.00 0.25 H new ATOM 0 HA LYS A 31 10.965 -0.342 -9.197 1.00 0.25 H new ATOM 0 HB2 LYS A 31 13.573 1.019 -8.571 1.00 0.30 H new ATOM 0 HB3 LYS A 31 13.232 -0.217 -9.765 1.00 0.30 H new ATOM 0 HG2 LYS A 31 12.011 2.543 -9.966 1.00 0.41 H new ATOM 0 HG3 LYS A 31 13.623 2.214 -10.569 1.00 0.41 H new ATOM 0 HD2 LYS A 31 12.148 1.984 -12.431 1.00 0.50 H new ATOM 0 HD3 LYS A 31 12.641 0.362 -11.989 1.00 0.50 H new ATOM 0 HE2 LYS A 31 10.547 -0.222 -11.197 1.00 0.44 H new ATOM 0 HE3 LYS A 31 10.145 1.414 -10.717 1.00 0.44 H new ATOM 0 HZ1 LYS A 31 8.948 0.478 -12.712 1.00 0.67 H new ATOM 0 HZ2 LYS A 31 9.644 2.015 -12.909 1.00 0.67 H new ATOM 0 HZ3 LYS A 31 10.406 0.647 -13.567 1.00 0.67 H new ATOM 520 N ASP A 32 11.328 0.228 -6.174 1.00 0.20 N ATOM 521 CA ASP A 32 11.525 -0.335 -4.856 1.00 0.19 C ATOM 522 C ASP A 32 10.494 -1.405 -4.579 1.00 0.18 C ATOM 523 O ASP A 32 9.480 -1.509 -5.274 1.00 0.25 O ATOM 524 CB ASP A 32 11.465 0.728 -3.751 1.00 0.20 C ATOM 525 CG ASP A 32 12.808 0.943 -3.077 1.00 0.64 C ATOM 526 OD1 ASP A 32 13.248 0.058 -2.313 1.00 1.00 O ATOM 527 OD2 ASP A 32 13.421 2.010 -3.294 1.00 1.65 O ATOM 0 H ASP A 32 10.779 1.088 -6.193 1.00 0.20 H new ATOM 0 HA ASP A 32 12.524 -0.771 -4.847 1.00 0.19 H new ATOM 0 HB2 ASP A 32 11.121 1.671 -4.177 1.00 0.20 H new ATOM 0 HB3 ASP A 32 10.731 0.429 -3.003 1.00 0.20 H new ATOM 532 N ALA A 33 10.764 -2.209 -3.575 1.00 0.16 N ATOM 533 CA ALA A 33 9.811 -3.187 -3.115 1.00 0.15 C ATOM 534 C ALA A 33 9.323 -2.784 -1.737 1.00 0.17 C ATOM 535 O ALA A 33 10.015 -2.072 -1.006 1.00 0.26 O ATOM 536 CB ALA A 33 10.426 -4.581 -3.082 1.00 0.18 C ATOM 0 H ALA A 33 11.644 -2.202 -3.059 1.00 0.16 H new ATOM 0 HA ALA A 33 8.970 -3.221 -3.807 1.00 0.15 H new ATOM 0 HB1 ALA A 33 9.684 -5.298 -2.731 1.00 0.18 H new ATOM 0 HB2 ALA A 33 10.753 -4.858 -4.084 1.00 0.18 H new ATOM 0 HB3 ALA A 33 11.282 -4.585 -2.407 1.00 0.18 H new ATOM 542 N LEU A 34 8.144 -3.233 -1.390 1.00 0.14 N ATOM 543 CA LEU A 34 7.565 -2.938 -0.104 1.00 0.14 C ATOM 544 C LEU A 34 7.093 -4.232 0.510 1.00 0.13 C ATOM 545 O LEU A 34 6.419 -5.011 -0.150 1.00 0.13 O ATOM 546 CB LEU A 34 6.386 -1.980 -0.255 1.00 0.15 C ATOM 547 CG LEU A 34 6.752 -0.574 -0.722 1.00 0.15 C ATOM 548 CD1 LEU A 34 5.496 0.223 -1.040 1.00 0.22 C ATOM 549 CD2 LEU A 34 7.576 0.132 0.344 1.00 0.27 C ATOM 0 H LEU A 34 7.558 -3.813 -1.991 1.00 0.14 H new ATOM 0 HA LEU A 34 8.311 -2.463 0.534 1.00 0.14 H new ATOM 0 HB2 LEU A 34 5.677 -2.409 -0.964 1.00 0.15 H new ATOM 0 HB3 LEU A 34 5.873 -1.906 0.704 1.00 0.15 H new ATOM 0 HG LEU A 34 7.349 -0.650 -1.631 1.00 0.15 H new ATOM 0 HD11 LEU A 34 5.774 1.223 -1.372 1.00 0.22 H new ATOM 0 HD12 LEU A 34 4.937 -0.279 -1.830 1.00 0.22 H new ATOM 0 HD13 LEU A 34 4.876 0.296 -0.147 1.00 0.22 H new ATOM 0 HD21 LEU A 34 7.832 1.134 0.001 1.00 0.27 H new ATOM 0 HD22 LEU A 34 6.997 0.200 1.265 1.00 0.27 H new ATOM 0 HD23 LEU A 34 8.490 -0.432 0.531 1.00 0.27 H new ATOM 561 N GLU A 35 7.443 -4.464 1.753 1.00 0.15 N ATOM 562 CA GLU A 35 7.060 -5.670 2.426 1.00 0.15 C ATOM 563 C GLU A 35 5.726 -5.438 3.094 1.00 0.13 C ATOM 564 O GLU A 35 5.638 -4.782 4.133 1.00 0.14 O ATOM 565 CB GLU A 35 8.115 -6.078 3.441 1.00 0.21 C ATOM 566 CG GLU A 35 8.004 -7.535 3.832 1.00 0.27 C ATOM 567 CD GLU A 35 9.080 -7.976 4.808 1.00 0.42 C ATOM 568 OE1 GLU A 35 10.214 -7.456 4.729 1.00 1.06 O ATOM 569 OE2 GLU A 35 8.795 -8.840 5.666 1.00 1.11 O ATOM 0 H GLU A 35 7.998 -3.822 2.319 1.00 0.15 H new ATOM 0 HA GLU A 35 6.973 -6.485 1.707 1.00 0.15 H new ATOM 0 HB2 GLU A 35 9.106 -5.890 3.027 1.00 0.21 H new ATOM 0 HB3 GLU A 35 8.018 -5.457 4.332 1.00 0.21 H new ATOM 0 HG2 GLU A 35 7.025 -7.712 4.277 1.00 0.27 H new ATOM 0 HG3 GLU A 35 8.062 -8.151 2.935 1.00 0.27 H new ATOM 576 N ILE A 36 4.689 -5.932 2.459 1.00 0.11 N ATOM 577 CA ILE A 36 3.339 -5.662 2.904 1.00 0.10 C ATOM 578 C ILE A 36 2.827 -6.699 3.906 1.00 0.10 C ATOM 579 O ILE A 36 2.959 -7.913 3.717 1.00 0.11 O ATOM 580 CB ILE A 36 2.370 -5.580 1.713 1.00 0.10 C ATOM 581 CG1 ILE A 36 2.744 -4.428 0.782 1.00 0.12 C ATOM 582 CG2 ILE A 36 0.941 -5.430 2.203 1.00 0.11 C ATOM 583 CD1 ILE A 36 3.387 -4.878 -0.509 1.00 0.11 C ATOM 0 H ILE A 36 4.753 -6.524 1.631 1.00 0.11 H new ATOM 0 HA ILE A 36 3.377 -4.698 3.412 1.00 0.10 H new ATOM 0 HB ILE A 36 2.447 -6.508 1.147 1.00 0.10 H new ATOM 0 HG12 ILE A 36 1.847 -3.853 0.550 1.00 0.12 H new ATOM 0 HG13 ILE A 36 3.427 -3.757 1.304 1.00 0.12 H new ATOM 0 HG21 ILE A 36 0.267 -5.373 1.348 1.00 0.11 H new ATOM 0 HG22 ILE A 36 0.675 -6.290 2.818 1.00 0.11 H new ATOM 0 HG23 ILE A 36 0.853 -4.519 2.795 1.00 0.11 H new ATOM 0 HD11 ILE A 36 3.625 -4.007 -1.120 1.00 0.11 H new ATOM 0 HD12 ILE A 36 4.302 -5.427 -0.288 1.00 0.11 H new ATOM 0 HD13 ILE A 36 2.698 -5.525 -1.052 1.00 0.11 H new ATOM 595 N TYR A 37 2.229 -6.182 4.963 1.00 0.11 N ATOM 596 CA TYR A 37 1.604 -6.973 6.012 1.00 0.14 C ATOM 597 C TYR A 37 0.160 -6.513 6.153 1.00 0.14 C ATOM 598 O TYR A 37 -0.277 -5.631 5.420 1.00 0.13 O ATOM 599 CB TYR A 37 2.301 -6.777 7.363 1.00 0.20 C ATOM 600 CG TYR A 37 3.808 -6.873 7.362 1.00 0.40 C ATOM 601 CD1 TYR A 37 4.597 -5.754 7.127 1.00 1.39 C ATOM 602 CD2 TYR A 37 4.442 -8.075 7.638 1.00 1.18 C ATOM 603 CE1 TYR A 37 5.976 -5.834 7.167 1.00 1.54 C ATOM 604 CE2 TYR A 37 5.818 -8.163 7.674 1.00 1.25 C ATOM 605 CZ TYR A 37 6.580 -7.042 7.439 1.00 0.87 C ATOM 606 OH TYR A 37 7.951 -7.129 7.483 1.00 1.11 O ATOM 0 H TYR A 37 2.162 -5.177 5.122 1.00 0.11 H new ATOM 0 HA TYR A 37 1.674 -8.026 5.738 1.00 0.14 H new ATOM 0 HB2 TYR A 37 2.021 -5.798 7.753 1.00 0.20 H new ATOM 0 HB3 TYR A 37 1.912 -7.520 8.059 1.00 0.20 H new ATOM 0 HD1 TYR A 37 4.125 -4.807 6.910 1.00 1.39 H new ATOM 0 HD2 TYR A 37 3.848 -8.957 7.828 1.00 1.18 H new ATOM 0 HE1 TYR A 37 6.577 -4.955 6.986 1.00 1.54 H new ATOM 0 HE2 TYR A 37 6.295 -9.108 7.886 1.00 1.25 H new ATOM 0 HH TYR A 37 8.234 -8.006 7.149 1.00 1.11 H new ATOM 616 N VAL A 38 -0.572 -7.108 7.081 1.00 0.16 N ATOM 617 CA VAL A 38 -1.949 -6.714 7.355 1.00 0.17 C ATOM 618 C VAL A 38 -2.302 -6.891 8.832 1.00 0.20 C ATOM 619 O VAL A 38 -2.153 -7.969 9.409 1.00 0.26 O ATOM 620 CB VAL A 38 -2.964 -7.497 6.491 1.00 0.18 C ATOM 621 CG1 VAL A 38 -4.366 -7.392 7.072 1.00 0.21 C ATOM 622 CG2 VAL A 38 -2.964 -7.006 5.050 1.00 0.21 C ATOM 0 H VAL A 38 -0.233 -7.873 7.664 1.00 0.16 H new ATOM 0 HA VAL A 38 -2.016 -5.657 7.095 1.00 0.17 H new ATOM 0 HB VAL A 38 -2.655 -8.542 6.498 1.00 0.18 H new ATOM 0 HG11 VAL A 38 -5.062 -7.951 6.446 1.00 0.21 H new ATOM 0 HG12 VAL A 38 -4.374 -7.804 8.081 1.00 0.21 H new ATOM 0 HG13 VAL A 38 -4.669 -6.345 7.105 1.00 0.21 H new ATOM 0 HG21 VAL A 38 -3.689 -7.578 4.471 1.00 0.21 H new ATOM 0 HG22 VAL A 38 -3.232 -5.950 5.025 1.00 0.21 H new ATOM 0 HG23 VAL A 38 -1.971 -7.138 4.621 1.00 0.21 H new ATOM 632 N ASP A 39 -2.811 -5.826 9.415 1.00 0.20 N ATOM 633 CA ASP A 39 -3.191 -5.807 10.816 1.00 0.23 C ATOM 634 C ASP A 39 -4.686 -6.017 10.920 1.00 0.28 C ATOM 635 O ASP A 39 -5.462 -5.109 10.611 1.00 0.35 O ATOM 636 CB ASP A 39 -2.784 -4.479 11.468 1.00 0.37 C ATOM 637 CG ASP A 39 -3.311 -4.342 12.883 1.00 0.98 C ATOM 638 OD1 ASP A 39 -2.749 -4.980 13.795 1.00 1.60 O ATOM 639 OD2 ASP A 39 -4.274 -3.575 13.091 1.00 1.74 O ATOM 0 H ASP A 39 -2.974 -4.944 8.930 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.674 -6.608 11.345 1.00 0.23 H new ATOM 0 HB2 ASP A 39 -1.697 -4.402 11.479 1.00 0.37 H new ATOM 0 HB3 ASP A 39 -3.156 -3.652 10.863 1.00 0.37 H new ATOM 644 N ASP A 40 -5.074 -7.232 11.307 1.00 0.42 N ATOM 645 CA ASP A 40 -6.477 -7.641 11.367 1.00 0.57 C ATOM 646 C ASP A 40 -7.089 -7.690 9.978 1.00 0.48 C ATOM 647 O ASP A 40 -7.312 -8.764 9.420 1.00 0.58 O ATOM 648 CB ASP A 40 -7.298 -6.699 12.254 1.00 0.73 C ATOM 649 CG ASP A 40 -7.612 -7.296 13.609 1.00 1.26 C ATOM 650 OD1 ASP A 40 -8.471 -8.198 13.684 1.00 2.01 O ATOM 651 OD2 ASP A 40 -7.007 -6.864 14.607 1.00 1.73 O ATOM 0 H ASP A 40 -4.421 -7.963 11.589 1.00 0.42 H new ATOM 0 HA ASP A 40 -6.501 -8.640 11.803 1.00 0.57 H new ATOM 0 HB2 ASP A 40 -6.750 -5.767 12.391 1.00 0.73 H new ATOM 0 HB3 ASP A 40 -8.230 -6.450 11.747 1.00 0.73 H new ATOM 656 N GLU A 41 -7.351 -6.520 9.431 1.00 0.41 N ATOM 657 CA GLU A 41 -7.949 -6.403 8.121 1.00 0.45 C ATOM 658 C GLU A 41 -7.481 -5.125 7.430 1.00 0.37 C ATOM 659 O GLU A 41 -8.157 -4.615 6.533 1.00 0.44 O ATOM 660 CB GLU A 41 -9.473 -6.406 8.239 1.00 0.65 C ATOM 661 CG GLU A 41 -10.010 -5.308 9.136 1.00 0.76 C ATOM 662 CD GLU A 41 -11.521 -5.233 9.107 1.00 1.05 C ATOM 663 OE1 GLU A 41 -12.094 -5.067 8.008 1.00 1.67 O ATOM 664 OE2 GLU A 41 -12.145 -5.345 10.183 1.00 1.40 O ATOM 0 H GLU A 41 -7.155 -5.627 9.883 1.00 0.41 H new ATOM 0 HA GLU A 41 -7.636 -7.257 7.520 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -9.907 -6.298 7.245 1.00 0.65 H new ATOM 0 HB3 GLU A 41 -9.798 -7.372 8.625 1.00 0.65 H new ATOM 0 HG2 GLU A 41 -9.676 -5.481 10.159 1.00 0.76 H new ATOM 0 HG3 GLU A 41 -9.594 -4.350 8.823 1.00 0.76 H new ATOM 671 N LYS A 42 -6.334 -4.591 7.850 1.00 0.27 N ATOM 672 CA LYS A 42 -5.779 -3.427 7.182 1.00 0.25 C ATOM 673 C LYS A 42 -4.343 -3.647 6.751 1.00 0.19 C ATOM 674 O LYS A 42 -3.629 -4.450 7.318 1.00 0.19 O ATOM 675 CB LYS A 42 -5.885 -2.176 8.058 1.00 0.30 C ATOM 676 CG LYS A 42 -4.927 -2.161 9.241 1.00 0.32 C ATOM 677 CD LYS A 42 -4.660 -0.739 9.712 1.00 0.50 C ATOM 678 CE LYS A 42 -3.618 -0.696 10.821 1.00 0.40 C ATOM 679 NZ LYS A 42 -4.189 -1.053 12.147 1.00 0.75 N ATOM 0 H LYS A 42 -5.784 -4.941 8.635 1.00 0.27 H new ATOM 0 HA LYS A 42 -6.376 -3.271 6.283 1.00 0.25 H new ATOM 0 HB2 LYS A 42 -5.697 -1.297 7.441 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -6.906 -2.092 8.430 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -5.346 -2.746 10.060 1.00 0.32 H new ATOM 0 HG3 LYS A 42 -3.988 -2.636 8.958 1.00 0.32 H new ATOM 0 HD2 LYS A 42 -4.320 -0.135 8.870 1.00 0.50 H new ATOM 0 HD3 LYS A 42 -5.589 -0.294 10.069 1.00 0.50 H new ATOM 0 HE2 LYS A 42 -2.806 -1.383 10.581 1.00 0.40 H new ATOM 0 HE3 LYS A 42 -3.185 0.303 10.871 1.00 0.40 H new ATOM 0 HZ1 LYS A 42 -3.614 -0.623 12.900 1.00 0.75 H new ATOM 0 HZ2 LYS A 42 -5.165 -0.699 12.211 1.00 0.75 H new ATOM 0 HZ3 LYS A 42 -4.188 -2.087 12.259 1.00 0.75 H new ATOM 693 N ILE A 43 -3.929 -2.879 5.768 1.00 0.15 N ATOM 694 CA ILE A 43 -2.690 -3.121 5.052 1.00 0.12 C ATOM 695 C ILE A 43 -1.531 -2.335 5.660 1.00 0.11 C ATOM 696 O ILE A 43 -1.693 -1.188 6.064 1.00 0.12 O ATOM 697 CB ILE A 43 -2.863 -2.709 3.584 1.00 0.10 C ATOM 698 CG1 ILE A 43 -4.227 -3.160 3.069 1.00 0.14 C ATOM 699 CG2 ILE A 43 -1.763 -3.299 2.730 1.00 0.10 C ATOM 700 CD1 ILE A 43 -4.624 -2.512 1.763 1.00 0.16 C ATOM 0 H ILE A 43 -4.444 -2.063 5.438 1.00 0.15 H new ATOM 0 HA ILE A 43 -2.458 -4.184 5.125 1.00 0.12 H new ATOM 0 HB ILE A 43 -2.802 -1.622 3.522 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.218 -4.242 2.940 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -4.983 -2.935 3.821 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.905 -2.995 1.693 1.00 0.10 H new ATOM 0 HG22 ILE A 43 -0.796 -2.942 3.084 1.00 0.10 H new ATOM 0 HG23 ILE A 43 -1.794 -4.387 2.796 1.00 0.10 H new ATOM 0 HD11 ILE A 43 -5.604 -2.879 1.458 1.00 0.16 H new ATOM 0 HD12 ILE A 43 -4.666 -1.430 1.891 1.00 0.16 H new ATOM 0 HD13 ILE A 43 -3.889 -2.758 0.997 1.00 0.16 H new ATOM 712 N ILE A 44 -0.366 -2.962 5.738 1.00 0.12 N ATOM 713 CA ILE A 44 0.817 -2.323 6.307 1.00 0.12 C ATOM 714 C ILE A 44 1.984 -2.442 5.337 1.00 0.11 C ATOM 715 O ILE A 44 2.578 -3.508 5.209 1.00 0.11 O ATOM 716 CB ILE A 44 1.262 -2.955 7.655 1.00 0.15 C ATOM 717 CG1 ILE A 44 0.187 -3.874 8.250 1.00 0.16 C ATOM 718 CG2 ILE A 44 1.641 -1.866 8.651 1.00 0.19 C ATOM 719 CD1 ILE A 44 -1.055 -3.170 8.742 1.00 0.18 C ATOM 0 H ILE A 44 -0.212 -3.917 5.414 1.00 0.12 H new ATOM 0 HA ILE A 44 0.543 -1.283 6.487 1.00 0.12 H new ATOM 0 HB ILE A 44 2.136 -3.573 7.449 1.00 0.15 H new ATOM 0 HG12 ILE A 44 -0.103 -4.605 7.495 1.00 0.16 H new ATOM 0 HG13 ILE A 44 0.624 -4.429 9.080 1.00 0.16 H new ATOM 0 HG21 ILE A 44 1.951 -2.324 9.590 1.00 0.19 H new ATOM 0 HG22 ILE A 44 2.463 -1.274 8.248 1.00 0.19 H new ATOM 0 HG23 ILE A 44 0.781 -1.220 8.828 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.754 -3.904 9.144 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.785 -2.460 9.524 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.524 -2.638 7.914 1.00 0.18 H new ATOM 731 N LEU A 45 2.313 -1.363 4.652 1.00 0.11 N ATOM 732 CA LEU A 45 3.411 -1.385 3.702 1.00 0.10 C ATOM 733 C LEU A 45 4.700 -0.910 4.356 1.00 0.11 C ATOM 734 O LEU A 45 4.866 0.266 4.669 1.00 0.13 O ATOM 735 CB LEU A 45 3.102 -0.518 2.474 1.00 0.10 C ATOM 736 CG LEU A 45 2.268 -1.185 1.379 1.00 0.09 C ATOM 737 CD1 LEU A 45 0.879 -1.523 1.887 1.00 0.09 C ATOM 738 CD2 LEU A 45 2.181 -0.281 0.162 1.00 0.10 C ATOM 0 H LEU A 45 1.839 -0.464 4.734 1.00 0.11 H new ATOM 0 HA LEU A 45 3.539 -2.417 3.374 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.578 0.378 2.808 1.00 0.10 H new ATOM 0 HB3 LEU A 45 4.046 -0.191 2.037 1.00 0.10 H new ATOM 0 HG LEU A 45 2.760 -2.115 1.092 1.00 0.09 H new ATOM 0 HD11 LEU A 45 0.305 -1.996 1.090 1.00 0.09 H new ATOM 0 HD12 LEU A 45 0.957 -2.206 2.733 1.00 0.09 H new ATOM 0 HD13 LEU A 45 0.375 -0.610 2.204 1.00 0.09 H new ATOM 0 HD21 LEU A 45 1.585 -0.767 -0.610 1.00 0.10 H new ATOM 0 HD22 LEU A 45 1.712 0.662 0.442 1.00 0.10 H new ATOM 0 HD23 LEU A 45 3.183 -0.089 -0.221 1.00 0.10 H new ATOM 750 N LYS A 46 5.602 -1.835 4.574 1.00 0.12 N ATOM 751 CA LYS A 46 6.938 -1.505 5.029 1.00 0.14 C ATOM 752 C LYS A 46 7.840 -1.507 3.816 1.00 0.19 C ATOM 753 O LYS A 46 7.516 -2.138 2.824 1.00 0.45 O ATOM 754 CB LYS A 46 7.411 -2.547 6.049 1.00 0.29 C ATOM 755 CG LYS A 46 8.770 -2.257 6.657 1.00 0.89 C ATOM 756 CD LYS A 46 9.328 -3.491 7.335 1.00 0.95 C ATOM 757 CE LYS A 46 9.743 -4.527 6.304 1.00 1.75 C ATOM 758 NZ LYS A 46 10.247 -5.778 6.928 1.00 2.11 N ATOM 0 H LYS A 46 5.437 -2.833 4.443 1.00 0.12 H new ATOM 0 HA LYS A 46 6.956 -0.529 5.513 1.00 0.14 H new ATOM 0 HB2 LYS A 46 6.675 -2.614 6.850 1.00 0.29 H new ATOM 0 HB3 LYS A 46 7.444 -3.523 5.565 1.00 0.29 H new ATOM 0 HG2 LYS A 46 9.457 -1.921 5.880 1.00 0.89 H new ATOM 0 HG3 LYS A 46 8.685 -1.446 7.380 1.00 0.89 H new ATOM 0 HD2 LYS A 46 10.186 -3.218 7.950 1.00 0.95 H new ATOM 0 HD3 LYS A 46 8.579 -3.915 8.003 1.00 0.95 H new ATOM 0 HE2 LYS A 46 8.892 -4.761 5.665 1.00 1.75 H new ATOM 0 HE3 LYS A 46 10.517 -4.107 5.662 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 10.549 -6.440 6.185 1.00 2.11 H new ATOM 0 HZ2 LYS A 46 11.055 -5.557 7.544 1.00 2.11 H new ATOM 0 HZ3 LYS A 46 9.490 -6.214 7.493 1.00 2.11 H new ATOM 772 N LYS A 47 8.936 -0.790 3.861 1.00 0.19 N ATOM 773 CA LYS A 47 9.892 -0.857 2.767 1.00 0.25 C ATOM 774 C LYS A 47 10.596 -2.202 2.808 1.00 0.24 C ATOM 775 O LYS A 47 10.860 -2.738 3.887 1.00 0.28 O ATOM 776 CB LYS A 47 10.920 0.277 2.846 1.00 0.38 C ATOM 777 CG LYS A 47 11.827 0.211 4.063 1.00 0.48 C ATOM 778 CD LYS A 47 13.075 1.051 3.871 1.00 0.83 C ATOM 779 CE LYS A 47 12.739 2.524 3.784 1.00 1.57 C ATOM 780 NZ LYS A 47 13.951 3.358 3.591 1.00 2.48 N ATOM 0 H LYS A 47 9.191 -0.163 4.624 1.00 0.19 H new ATOM 0 HA LYS A 47 9.352 -0.744 1.827 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.535 0.258 1.947 1.00 0.38 H new ATOM 0 HB3 LYS A 47 10.393 1.231 2.851 1.00 0.38 H new ATOM 0 HG2 LYS A 47 11.284 0.559 4.942 1.00 0.48 H new ATOM 0 HG3 LYS A 47 12.109 -0.825 4.252 1.00 0.48 H new ATOM 0 HD2 LYS A 47 13.761 0.881 4.700 1.00 0.83 H new ATOM 0 HD3 LYS A 47 13.590 0.739 2.962 1.00 0.83 H new ATOM 0 HE2 LYS A 47 12.048 2.691 2.957 1.00 1.57 H new ATOM 0 HE3 LYS A 47 12.226 2.834 4.695 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 13.670 4.317 3.302 1.00 2.48 H new ATOM 0 HZ2 LYS A 47 14.484 3.408 4.483 1.00 2.48 H new ATOM 0 HZ3 LYS A 47 14.550 2.935 2.853 1.00 2.48 H new ATOM 794 N TYR A 48 10.871 -2.767 1.646 1.00 0.26 N ATOM 795 CA TYR A 48 11.580 -4.030 1.589 1.00 0.33 C ATOM 796 C TYR A 48 12.976 -3.864 2.152 1.00 0.48 C ATOM 797 O TYR A 48 13.606 -2.818 1.987 1.00 0.58 O ATOM 798 CB TYR A 48 11.637 -4.559 0.156 1.00 0.35 C ATOM 799 CG TYR A 48 12.561 -5.743 -0.044 1.00 0.88 C ATOM 800 CD1 TYR A 48 12.286 -6.974 0.538 1.00 1.68 C ATOM 801 CD2 TYR A 48 13.707 -5.628 -0.820 1.00 1.81 C ATOM 802 CE1 TYR A 48 13.129 -8.055 0.355 1.00 2.32 C ATOM 803 CE2 TYR A 48 14.553 -6.704 -1.009 1.00 2.49 C ATOM 804 CZ TYR A 48 14.261 -7.914 -0.418 1.00 2.51 C ATOM 805 OH TYR A 48 15.106 -8.987 -0.600 1.00 3.33 O ATOM 0 H TYR A 48 10.617 -2.376 0.739 1.00 0.26 H new ATOM 0 HA TYR A 48 11.040 -4.759 2.193 1.00 0.33 H new ATOM 0 HB2 TYR A 48 10.631 -4.844 -0.152 1.00 0.35 H new ATOM 0 HB3 TYR A 48 11.955 -3.751 -0.503 1.00 0.35 H new ATOM 0 HD1 TYR A 48 11.399 -7.089 1.143 1.00 1.68 H new ATOM 0 HD2 TYR A 48 13.941 -4.681 -1.284 1.00 1.81 H new ATOM 0 HE1 TYR A 48 12.901 -9.005 0.816 1.00 2.32 H new ATOM 0 HE2 TYR A 48 15.439 -6.597 -1.617 1.00 2.49 H new ATOM 0 HH TYR A 48 15.856 -8.720 -1.172 1.00 3.33 H new ATOM 815 N LYS A 49 13.439 -4.901 2.821 1.00 0.58 N ATOM 816 CA LYS A 49 14.751 -4.896 3.438 1.00 0.74 C ATOM 817 C LYS A 49 15.820 -4.889 2.358 1.00 0.75 C ATOM 818 O LYS A 49 15.989 -5.872 1.639 1.00 0.71 O ATOM 819 CB LYS A 49 14.912 -6.135 4.320 1.00 0.86 C ATOM 820 CG LYS A 49 16.205 -6.159 5.119 1.00 1.22 C ATOM 821 CD LYS A 49 16.277 -5.009 6.107 1.00 1.20 C ATOM 822 CE LYS A 49 15.234 -5.160 7.202 1.00 1.45 C ATOM 823 NZ LYS A 49 15.346 -4.088 8.223 1.00 1.88 N ATOM 0 H LYS A 49 12.919 -5.768 2.952 1.00 0.58 H new ATOM 0 HA LYS A 49 14.857 -4.004 4.055 1.00 0.74 H new ATOM 0 HB2 LYS A 49 14.069 -6.190 5.009 1.00 0.86 H new ATOM 0 HB3 LYS A 49 14.868 -7.024 3.691 1.00 0.86 H new ATOM 0 HG2 LYS A 49 16.284 -7.105 5.655 1.00 1.22 H new ATOM 0 HG3 LYS A 49 17.054 -6.107 4.438 1.00 1.22 H new ATOM 0 HD2 LYS A 49 17.272 -4.969 6.551 1.00 1.20 H new ATOM 0 HD3 LYS A 49 16.124 -4.066 5.583 1.00 1.20 H new ATOM 0 HE2 LYS A 49 14.238 -5.138 6.760 1.00 1.45 H new ATOM 0 HE3 LYS A 49 15.349 -6.132 7.682 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 14.618 -4.226 8.953 1.00 1.88 H new ATOM 0 HZ2 LYS A 49 16.288 -4.124 8.663 1.00 1.88 H new ATOM 0 HZ3 LYS A 49 15.211 -3.162 7.770 1.00 1.88 H new ATOM 837 N PRO A 50 16.570 -3.788 2.239 1.00 0.87 N ATOM 838 CA PRO A 50 17.545 -3.608 1.178 1.00 0.96 C ATOM 839 C PRO A 50 18.864 -4.293 1.508 1.00 1.09 C ATOM 840 O PRO A 50 19.914 -3.970 0.951 1.00 1.22 O ATOM 841 CB PRO A 50 17.719 -2.086 1.101 1.00 1.06 C ATOM 842 CG PRO A 50 16.933 -1.502 2.235 1.00 1.13 C ATOM 843 CD PRO A 50 16.553 -2.638 3.140 1.00 0.96 C ATOM 0 HA PRO A 50 17.221 -4.048 0.235 1.00 0.96 H new ATOM 0 HB2 PRO A 50 18.771 -1.813 1.179 1.00 1.06 H new ATOM 0 HB3 PRO A 50 17.361 -1.704 0.145 1.00 1.06 H new ATOM 0 HG2 PRO A 50 17.525 -0.762 2.773 1.00 1.13 H new ATOM 0 HG3 PRO A 50 16.044 -0.991 1.865 1.00 1.13 H new ATOM 0 HD2 PRO A 50 17.261 -2.756 3.960 1.00 0.96 H new ATOM 0 HD3 PRO A 50 15.570 -2.488 3.587 1.00 0.96 H new ATOM 851 N ASN A 51 18.791 -5.246 2.420 1.00 1.12 N ATOM 852 CA ASN A 51 19.948 -6.008 2.835 1.00 1.24 C ATOM 853 C ASN A 51 20.131 -7.216 1.929 1.00 1.21 C ATOM 854 O ASN A 51 19.346 -8.164 1.980 1.00 1.24 O ATOM 855 CB ASN A 51 19.786 -6.465 4.281 1.00 1.40 C ATOM 856 CG ASN A 51 20.955 -7.300 4.775 1.00 1.53 C ATOM 857 OD1 ASN A 51 20.769 -8.276 5.503 1.00 1.65 O ATOM 858 ND2 ASN A 51 22.169 -6.912 4.408 1.00 2.14 N ATOM 0 H ASN A 51 17.926 -5.511 2.892 1.00 1.12 H new ATOM 0 HA ASN A 51 20.830 -5.372 2.761 1.00 1.24 H new ATOM 0 HB2 ASN A 51 19.675 -5.591 4.922 1.00 1.40 H new ATOM 0 HB3 ASN A 51 18.868 -7.046 4.372 1.00 1.40 H new ATOM 0 HD21 ASN A 51 22.988 -7.427 4.730 1.00 2.14 H new ATOM 0 HD22 ASN A 51 22.283 -6.098 3.804 1.00 2.14 H new ATOM 865 N MET A 52 21.146 -7.163 1.087 1.00 1.38 N ATOM 866 CA MET A 52 21.483 -8.286 0.234 1.00 1.59 C ATOM 867 C MET A 52 22.975 -8.566 0.325 1.00 1.88 C ATOM 868 O MET A 52 23.800 -7.685 0.082 1.00 2.13 O ATOM 869 CB MET A 52 21.050 -8.032 -1.218 1.00 1.89 C ATOM 870 CG MET A 52 21.631 -6.772 -1.838 1.00 2.34 C ATOM 871 SD MET A 52 21.041 -6.494 -3.519 1.00 2.79 S ATOM 872 CE MET A 52 21.901 -4.978 -3.935 1.00 3.15 C ATOM 0 H MET A 52 21.753 -6.351 0.976 1.00 1.38 H new ATOM 0 HA MET A 52 20.940 -9.165 0.580 1.00 1.59 H new ATOM 0 HB2 MET A 52 21.342 -8.889 -1.826 1.00 1.89 H new ATOM 0 HB3 MET A 52 19.962 -7.971 -1.254 1.00 1.89 H new ATOM 0 HG2 MET A 52 21.372 -5.913 -1.219 1.00 2.34 H new ATOM 0 HG3 MET A 52 22.719 -6.843 -1.845 1.00 2.34 H new ATOM 0 HE1 MET A 52 21.638 -4.677 -4.949 1.00 3.15 H new ATOM 0 HE2 MET A 52 21.612 -4.192 -3.237 1.00 3.15 H new ATOM 0 HE3 MET A 52 22.977 -5.141 -3.873 1.00 3.15 H new ATOM 882 N THR A 53 23.309 -9.783 0.719 1.00 1.99 N ATOM 883 CA THR A 53 24.693 -10.164 0.939 1.00 2.37 C ATOM 884 C THR A 53 25.439 -10.288 -0.389 1.00 2.75 C ATOM 885 O THR A 53 26.183 -9.348 -0.748 1.00 2.86 O ATOM 886 CB THR A 53 24.775 -11.496 1.708 1.00 2.55 C ATOM 887 OG1 THR A 53 23.816 -11.502 2.777 1.00 2.61 O ATOM 888 CG2 THR A 53 26.171 -11.710 2.275 1.00 2.65 C ATOM 889 OXT THR A 53 25.260 -11.311 -1.082 1.00 3.35 O ATOM 0 H THR A 53 22.635 -10.528 0.894 1.00 1.99 H new ATOM 0 HA THR A 53 25.164 -9.382 1.535 1.00 2.37 H new ATOM 0 HB THR A 53 24.554 -12.306 1.013 1.00 2.55 H new ATOM 0 HG1 THR A 53 23.871 -12.352 3.261 1.00 2.61 H new ATOM 0 HG21 THR A 53 26.204 -12.657 2.814 1.00 2.65 H new ATOM 0 HG22 THR A 53 26.895 -11.730 1.461 1.00 2.65 H new ATOM 0 HG23 THR A 53 26.415 -10.896 2.957 1.00 2.65 H new TER 897 THR A 53 ATOM 898 N MET B 1 -6.117 -15.269 5.977 1.00 1.63 N ATOM 899 CA MET B 1 -6.380 -13.863 5.595 1.00 0.89 C ATOM 900 C MET B 1 -5.867 -12.899 6.669 1.00 0.88 C ATOM 901 O MET B 1 -6.543 -12.639 7.667 1.00 1.78 O ATOM 902 CB MET B 1 -7.876 -13.639 5.322 1.00 1.31 C ATOM 903 CG MET B 1 -8.799 -14.085 6.449 1.00 1.83 C ATOM 904 SD MET B 1 -10.543 -13.845 6.054 1.00 2.73 S ATOM 905 CE MET B 1 -10.702 -14.882 4.600 1.00 3.60 C ATOM 0 H1 MET B 1 -6.576 -15.906 5.295 1.00 1.63 H new ATOM 0 H2 MET B 1 -5.092 -15.443 5.977 1.00 1.63 H new ATOM 0 H3 MET B 1 -6.498 -15.447 6.928 1.00 1.63 H new ATOM 0 HA MET B 1 -5.837 -13.657 4.673 1.00 0.89 H new ATOM 0 HB2 MET B 1 -8.043 -12.579 5.131 1.00 1.31 H new ATOM 0 HB3 MET B 1 -8.150 -14.173 4.412 1.00 1.31 H new ATOM 0 HG2 MET B 1 -8.621 -15.139 6.664 1.00 1.83 H new ATOM 0 HG3 MET B 1 -8.556 -13.529 7.354 1.00 1.83 H new ATOM 0 HE1 MET B 1 -11.745 -15.173 4.473 1.00 3.60 H new ATOM 0 HE2 MET B 1 -10.370 -14.330 3.721 1.00 3.60 H new ATOM 0 HE3 MET B 1 -10.088 -15.775 4.721 1.00 3.60 H new ATOM 917 N LYS B 2 -4.649 -12.398 6.458 1.00 0.64 N ATOM 918 CA LYS B 2 -3.985 -11.482 7.390 1.00 0.42 C ATOM 919 C LYS B 2 -2.639 -11.053 6.813 1.00 0.35 C ATOM 920 O LYS B 2 -2.437 -11.134 5.601 1.00 0.49 O ATOM 921 CB LYS B 2 -3.800 -12.136 8.774 1.00 0.56 C ATOM 922 CG LYS B 2 -3.440 -13.620 8.736 1.00 1.31 C ATOM 923 CD LYS B 2 -1.969 -13.876 8.458 1.00 1.49 C ATOM 924 CE LYS B 2 -1.092 -13.376 9.588 1.00 1.25 C ATOM 925 NZ LYS B 2 0.309 -13.856 9.453 1.00 2.04 N ATOM 0 H LYS B 2 -4.092 -12.617 5.632 1.00 0.64 H new ATOM 0 HA LYS B 2 -4.614 -10.602 7.523 1.00 0.42 H new ATOM 0 HB2 LYS B 2 -3.018 -11.600 9.312 1.00 0.56 H new ATOM 0 HB3 LYS B 2 -4.721 -12.014 9.344 1.00 0.56 H new ATOM 0 HG2 LYS B 2 -3.707 -14.076 9.690 1.00 1.31 H new ATOM 0 HG3 LYS B 2 -4.038 -14.112 7.969 1.00 1.31 H new ATOM 0 HD2 LYS B 2 -1.806 -14.944 8.315 1.00 1.49 H new ATOM 0 HD3 LYS B 2 -1.683 -13.383 7.529 1.00 1.49 H new ATOM 0 HE2 LYS B 2 -1.103 -12.286 9.602 1.00 1.25 H new ATOM 0 HE3 LYS B 2 -1.501 -13.711 10.541 1.00 1.25 H new ATOM 0 HZ1 LYS B 2 0.882 -13.479 10.235 1.00 2.04 H new ATOM 0 HZ2 LYS B 2 0.324 -14.895 9.482 1.00 2.04 H new ATOM 0 HZ3 LYS B 2 0.702 -13.529 8.547 1.00 2.04 H new ATOM 939 N SER B 3 -1.732 -10.588 7.674 1.00 0.29 N ATOM 940 CA SER B 3 -0.385 -10.224 7.253 1.00 0.22 C ATOM 941 C SER B 3 0.266 -11.335 6.468 1.00 0.24 C ATOM 942 O SER B 3 0.282 -12.492 6.885 1.00 0.40 O ATOM 943 CB SER B 3 0.489 -9.931 8.466 1.00 0.28 C ATOM 944 OG SER B 3 0.235 -8.661 9.020 1.00 1.17 O ATOM 0 H SER B 3 -1.910 -10.456 8.670 1.00 0.29 H new ATOM 0 HA SER B 3 -0.475 -9.339 6.624 1.00 0.22 H new ATOM 0 HB2 SER B 3 0.320 -10.695 9.225 1.00 0.28 H new ATOM 0 HB3 SER B 3 1.538 -9.995 8.178 1.00 0.28 H new ATOM 0 HG SER B 3 -0.693 -8.620 9.332 1.00 1.17 H new ATOM 950 N THR B 4 0.816 -10.970 5.343 1.00 0.20 N ATOM 951 CA THR B 4 1.515 -11.919 4.525 1.00 0.22 C ATOM 952 C THR B 4 3.015 -11.755 4.699 1.00 0.23 C ATOM 953 O THR B 4 3.774 -12.720 4.617 1.00 0.28 O ATOM 954 CB THR B 4 1.138 -11.739 3.049 1.00 0.23 C ATOM 955 OG1 THR B 4 1.158 -10.343 2.713 1.00 0.24 O ATOM 956 CG2 THR B 4 -0.241 -12.320 2.777 1.00 0.22 C ATOM 0 H THR B 4 0.793 -10.020 4.972 1.00 0.20 H new ATOM 0 HA THR B 4 1.227 -12.922 4.839 1.00 0.22 H new ATOM 0 HB THR B 4 1.864 -12.269 2.433 1.00 0.23 H new ATOM 0 HG1 THR B 4 1.935 -9.917 3.131 1.00 0.24 H new ATOM 0 HG21 THR B 4 -0.492 -12.184 1.725 1.00 0.22 H new ATOM 0 HG22 THR B 4 -0.241 -13.384 3.015 1.00 0.22 H new ATOM 0 HG23 THR B 4 -0.979 -11.810 3.396 1.00 0.22 H new ATOM 964 N GLY B 5 3.430 -10.521 4.974 1.00 0.20 N ATOM 965 CA GLY B 5 4.841 -10.199 4.983 1.00 0.21 C ATOM 966 C GLY B 5 5.400 -10.344 3.587 1.00 0.19 C ATOM 967 O GLY B 5 6.502 -10.848 3.380 1.00 0.29 O ATOM 0 H GLY B 5 2.811 -9.740 5.191 1.00 0.20 H new ATOM 0 HA2 GLY B 5 4.990 -9.181 5.342 1.00 0.21 H new ATOM 0 HA3 GLY B 5 5.371 -10.860 5.669 1.00 0.21 H new ATOM 971 N ILE B 6 4.602 -9.896 2.630 1.00 0.12 N ATOM 972 CA ILE B 6 4.831 -10.155 1.222 1.00 0.12 C ATOM 973 C ILE B 6 5.230 -8.868 0.517 1.00 0.11 C ATOM 974 O ILE B 6 4.540 -7.855 0.627 1.00 0.11 O ATOM 975 CB ILE B 6 3.549 -10.781 0.598 1.00 0.13 C ATOM 976 CG1 ILE B 6 3.779 -12.266 0.304 1.00 0.17 C ATOM 977 CG2 ILE B 6 3.110 -10.063 -0.674 1.00 0.16 C ATOM 978 CD1 ILE B 6 4.215 -13.072 1.505 1.00 0.20 C ATOM 0 H ILE B 6 3.769 -9.337 2.814 1.00 0.12 H new ATOM 0 HA ILE B 6 5.650 -10.864 1.100 1.00 0.12 H new ATOM 0 HB ILE B 6 2.748 -10.668 1.328 1.00 0.13 H new ATOM 0 HG12 ILE B 6 2.858 -12.694 -0.092 1.00 0.17 H new ATOM 0 HG13 ILE B 6 4.535 -12.358 -0.476 1.00 0.17 H new ATOM 0 HG21 ILE B 6 2.212 -10.539 -1.069 1.00 0.16 H new ATOM 0 HG22 ILE B 6 2.897 -9.018 -0.447 1.00 0.16 H new ATOM 0 HG23 ILE B 6 3.906 -10.118 -1.416 1.00 0.16 H new ATOM 0 HD11 ILE B 6 4.356 -14.113 1.213 1.00 0.20 H new ATOM 0 HD12 ILE B 6 5.153 -12.672 1.890 1.00 0.20 H new ATOM 0 HD13 ILE B 6 3.450 -13.013 2.280 1.00 0.20 H new ATOM 990 N VAL B 7 6.354 -8.885 -0.180 1.00 0.13 N ATOM 991 CA VAL B 7 6.850 -7.666 -0.791 1.00 0.12 C ATOM 992 C VAL B 7 6.398 -7.555 -2.247 1.00 0.13 C ATOM 993 O VAL B 7 6.312 -8.554 -2.964 1.00 0.17 O ATOM 994 CB VAL B 7 8.394 -7.538 -0.714 1.00 0.15 C ATOM 995 CG1 VAL B 7 8.926 -8.054 0.610 1.00 0.20 C ATOM 996 CG2 VAL B 7 9.091 -8.226 -1.878 1.00 0.18 C ATOM 0 H VAL B 7 6.930 -9.713 -0.334 1.00 0.13 H new ATOM 0 HA VAL B 7 6.422 -6.846 -0.214 1.00 0.12 H new ATOM 0 HB VAL B 7 8.621 -6.474 -0.784 1.00 0.15 H new ATOM 0 HG11 VAL B 7 10.011 -7.950 0.632 1.00 0.20 H new ATOM 0 HG12 VAL B 7 8.490 -7.478 1.426 1.00 0.20 H new ATOM 0 HG13 VAL B 7 8.660 -9.105 0.724 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.170 -8.107 -1.778 1.00 0.18 H new ATOM 0 HG22 VAL B 7 8.841 -9.287 -1.876 1.00 0.18 H new ATOM 0 HG23 VAL B 7 8.762 -7.777 -2.815 1.00 0.18 H new ATOM 1006 N ARG B 8 6.095 -6.338 -2.667 1.00 0.12 N ATOM 1007 CA ARG B 8 5.695 -6.059 -4.041 1.00 0.13 C ATOM 1008 C ARG B 8 6.450 -4.848 -4.560 1.00 0.14 C ATOM 1009 O ARG B 8 6.935 -4.038 -3.773 1.00 0.14 O ATOM 1010 CB ARG B 8 4.187 -5.815 -4.121 1.00 0.13 C ATOM 1011 CG ARG B 8 3.362 -7.036 -3.764 1.00 0.15 C ATOM 1012 CD ARG B 8 3.703 -8.186 -4.686 1.00 0.21 C ATOM 1013 NE ARG B 8 2.822 -9.340 -4.497 1.00 0.27 N ATOM 1014 CZ ARG B 8 2.814 -10.411 -5.295 1.00 0.90 C ATOM 1015 NH1 ARG B 8 3.640 -10.478 -6.333 1.00 1.94 N ATOM 1016 NH2 ARG B 8 1.980 -11.418 -5.050 1.00 0.79 N ATOM 0 H ARG B 8 6.119 -5.514 -2.067 1.00 0.12 H new ATOM 0 HA ARG B 8 5.937 -6.923 -4.660 1.00 0.13 H new ATOM 0 HB2 ARG B 8 3.922 -4.997 -3.450 1.00 0.13 H new ATOM 0 HB3 ARG B 8 3.931 -5.495 -5.131 1.00 0.13 H new ATOM 0 HG2 ARG B 8 3.551 -7.322 -2.729 1.00 0.15 H new ATOM 0 HG3 ARG B 8 2.300 -6.801 -3.841 1.00 0.15 H new ATOM 0 HD2 ARG B 8 3.637 -7.849 -5.721 1.00 0.21 H new ATOM 0 HD3 ARG B 8 4.736 -8.490 -4.515 1.00 0.21 H new ATOM 0 HE ARG B 8 2.175 -9.325 -3.708 1.00 0.27 H new ATOM 0 HH11 ARG B 8 4.284 -9.710 -6.523 1.00 1.94 H new ATOM 0 HH12 ARG B 8 3.631 -11.298 -6.940 1.00 1.94 H new ATOM 0 HH21 ARG B 8 1.346 -11.373 -4.252 1.00 0.79 H new ATOM 0 HH22 ARG B 8 1.974 -12.236 -5.660 1.00 0.79 H new ATOM 1030 N LYS B 9 6.560 -4.742 -5.873 1.00 0.15 N ATOM 1031 CA LYS B 9 7.205 -3.592 -6.500 1.00 0.15 C ATOM 1032 C LYS B 9 6.250 -2.411 -6.536 1.00 0.15 C ATOM 1033 O LYS B 9 5.027 -2.585 -6.492 1.00 0.19 O ATOM 1034 CB LYS B 9 7.613 -3.922 -7.938 1.00 0.17 C ATOM 1035 CG LYS B 9 8.561 -5.099 -8.080 1.00 0.25 C ATOM 1036 CD LYS B 9 9.989 -4.728 -7.721 1.00 0.37 C ATOM 1037 CE LYS B 9 10.384 -5.267 -6.358 1.00 0.44 C ATOM 1038 NZ LYS B 9 10.258 -6.750 -6.289 1.00 1.37 N ATOM 0 H LYS B 9 6.211 -5.439 -6.531 1.00 0.15 H new ATOM 0 HA LYS B 9 8.089 -3.344 -5.913 1.00 0.15 H new ATOM 0 HB2 LYS B 9 6.713 -4.127 -8.517 1.00 0.17 H new ATOM 0 HB3 LYS B 9 8.082 -3.042 -8.378 1.00 0.17 H new ATOM 0 HG2 LYS B 9 8.226 -5.913 -7.438 1.00 0.25 H new ATOM 0 HG3 LYS B 9 8.529 -5.468 -9.105 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.668 -5.120 -8.478 1.00 0.37 H new ATOM 0 HD3 LYS B 9 10.096 -3.643 -7.728 1.00 0.37 H new ATOM 0 HE2 LYS B 9 11.412 -4.979 -6.138 1.00 0.44 H new ATOM 0 HE3 LYS B 9 9.755 -4.813 -5.592 1.00 0.44 H new ATOM 0 HZ1 LYS B 9 10.992 -7.132 -5.659 1.00 1.37 H new ATOM 0 HZ2 LYS B 9 9.319 -7.002 -5.919 1.00 1.37 H new ATOM 0 HZ3 LYS B 9 10.375 -7.153 -7.241 1.00 1.37 H new ATOM 1052 N VAL B 10 6.810 -1.215 -6.631 1.00 0.14 N ATOM 1053 CA VAL B 10 6.006 -0.006 -6.742 1.00 0.15 C ATOM 1054 C VAL B 10 5.735 0.294 -8.226 1.00 0.18 C ATOM 1055 O VAL B 10 5.276 1.380 -8.606 1.00 0.21 O ATOM 1056 CB VAL B 10 6.698 1.178 -6.027 1.00 0.18 C ATOM 1057 CG1 VAL B 10 5.788 2.391 -5.954 1.00 0.22 C ATOM 1058 CG2 VAL B 10 7.127 0.762 -4.627 1.00 0.19 C ATOM 0 H VAL B 10 7.817 -1.055 -6.634 1.00 0.14 H new ATOM 0 HA VAL B 10 5.047 -0.158 -6.246 1.00 0.15 H new ATOM 0 HB VAL B 10 7.578 1.454 -6.608 1.00 0.18 H new ATOM 0 HG11 VAL B 10 6.306 3.204 -5.446 1.00 0.22 H new ATOM 0 HG12 VAL B 10 5.520 2.706 -6.962 1.00 0.22 H new ATOM 0 HG13 VAL B 10 4.884 2.135 -5.401 1.00 0.22 H new ATOM 0 HG21 VAL B 10 7.613 1.602 -4.131 1.00 0.19 H new ATOM 0 HG22 VAL B 10 6.251 0.459 -4.053 1.00 0.19 H new ATOM 0 HG23 VAL B 10 7.824 -0.073 -4.693 1.00 0.19 H new ATOM 1068 N ASP B 11 6.045 -0.703 -9.056 1.00 0.21 N ATOM 1069 CA ASP B 11 5.657 -0.732 -10.465 1.00 0.30 C ATOM 1070 C ASP B 11 6.501 0.225 -11.300 1.00 0.38 C ATOM 1071 O ASP B 11 7.641 -0.083 -11.646 1.00 0.66 O ATOM 1072 CB ASP B 11 4.156 -0.430 -10.610 1.00 0.33 C ATOM 1073 CG ASP B 11 3.637 -0.520 -12.027 1.00 0.35 C ATOM 1074 OD1 ASP B 11 3.717 -1.609 -12.630 1.00 1.17 O ATOM 1075 OD2 ASP B 11 3.115 0.503 -12.528 1.00 1.11 O ATOM 0 H ASP B 11 6.579 -1.522 -8.764 1.00 0.21 H new ATOM 0 HA ASP B 11 5.844 -1.735 -10.848 1.00 0.30 H new ATOM 0 HB2 ASP B 11 3.595 -1.126 -9.985 1.00 0.33 H new ATOM 0 HB3 ASP B 11 3.960 0.571 -10.227 1.00 0.33 H new ATOM 1080 N GLU B 12 5.938 1.375 -11.624 1.00 0.30 N ATOM 1081 CA GLU B 12 6.629 2.392 -12.406 1.00 0.31 C ATOM 1082 C GLU B 12 5.964 3.742 -12.209 1.00 0.25 C ATOM 1083 O GLU B 12 6.622 4.746 -11.979 1.00 0.28 O ATOM 1084 CB GLU B 12 6.626 2.014 -13.889 1.00 0.41 C ATOM 1085 CG GLU B 12 5.368 1.291 -14.323 1.00 0.51 C ATOM 1086 CD GLU B 12 5.545 0.541 -15.624 1.00 1.03 C ATOM 1087 OE1 GLU B 12 6.008 -0.621 -15.587 1.00 1.00 O ATOM 1088 OE2 GLU B 12 5.217 1.100 -16.684 1.00 2.09 O ATOM 0 H GLU B 12 4.989 1.633 -11.354 1.00 0.30 H new ATOM 0 HA GLU B 12 7.662 2.455 -12.064 1.00 0.31 H new ATOM 0 HB2 GLU B 12 6.741 2.918 -14.487 1.00 0.41 H new ATOM 0 HB3 GLU B 12 7.489 1.382 -14.097 1.00 0.41 H new ATOM 0 HG2 GLU B 12 5.069 0.591 -13.543 1.00 0.51 H new ATOM 0 HG3 GLU B 12 4.558 2.013 -14.432 1.00 0.51 H new ATOM 1095 N LEU B 13 4.645 3.756 -12.282 1.00 0.24 N ATOM 1096 CA LEU B 13 3.895 4.994 -12.127 1.00 0.24 C ATOM 1097 C LEU B 13 3.661 5.308 -10.652 1.00 0.23 C ATOM 1098 O LEU B 13 3.082 6.336 -10.311 1.00 0.32 O ATOM 1099 CB LEU B 13 2.567 4.925 -12.889 1.00 0.32 C ATOM 1100 CG LEU B 13 2.669 5.163 -14.405 1.00 0.42 C ATOM 1101 CD1 LEU B 13 3.262 6.539 -14.691 1.00 0.49 C ATOM 1102 CD2 LEU B 13 3.499 4.079 -15.085 1.00 0.40 C ATOM 0 H LEU B 13 4.071 2.929 -12.447 1.00 0.24 H new ATOM 0 HA LEU B 13 4.487 5.804 -12.553 1.00 0.24 H new ATOM 0 HB2 LEU B 13 2.120 3.945 -12.720 1.00 0.32 H new ATOM 0 HB3 LEU B 13 1.885 5.663 -12.467 1.00 0.32 H new ATOM 0 HG LEU B 13 1.660 5.120 -14.815 1.00 0.42 H new ATOM 0 HD11 LEU B 13 3.327 6.690 -15.768 1.00 0.49 H new ATOM 0 HD12 LEU B 13 2.625 7.308 -14.254 1.00 0.49 H new ATOM 0 HD13 LEU B 13 4.259 6.603 -14.255 1.00 0.49 H new ATOM 0 HD21 LEU B 13 3.551 4.278 -16.155 1.00 0.40 H new ATOM 0 HD22 LEU B 13 4.506 4.076 -14.668 1.00 0.40 H new ATOM 0 HD23 LEU B 13 3.034 3.107 -14.919 1.00 0.40 H new ATOM 1114 N GLY B 14 4.100 4.404 -9.785 1.00 0.17 N ATOM 1115 CA GLY B 14 4.066 4.666 -8.358 1.00 0.15 C ATOM 1116 C GLY B 14 3.008 3.851 -7.671 1.00 0.14 C ATOM 1117 O GLY B 14 2.643 4.118 -6.541 1.00 0.15 O ATOM 0 H GLY B 14 4.479 3.493 -10.044 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.040 4.440 -7.923 1.00 0.15 H new ATOM 0 HA3 GLY B 14 3.878 5.726 -8.187 1.00 0.15 H new ATOM 1121 N ARG B 15 2.504 2.858 -8.365 1.00 0.16 N ATOM 1122 CA ARG B 15 1.472 2.009 -7.821 1.00 0.14 C ATOM 1123 C ARG B 15 2.032 0.662 -7.373 1.00 0.16 C ATOM 1124 O ARG B 15 2.590 -0.081 -8.172 1.00 0.20 O ATOM 1125 CB ARG B 15 0.367 1.840 -8.863 1.00 0.16 C ATOM 1126 CG ARG B 15 0.864 1.349 -10.210 1.00 0.25 C ATOM 1127 CD ARG B 15 0.066 1.952 -11.350 1.00 0.48 C ATOM 1128 NE ARG B 15 0.665 1.643 -12.649 1.00 0.87 N ATOM 1129 CZ ARG B 15 0.011 1.686 -13.812 1.00 1.14 C ATOM 1130 NH1 ARG B 15 -1.299 1.909 -13.838 1.00 1.00 N ATOM 1131 NH2 ARG B 15 0.662 1.457 -14.947 1.00 1.72 N ATOM 0 H ARG B 15 2.794 2.618 -9.313 1.00 0.16 H new ATOM 0 HA ARG B 15 1.054 2.480 -6.931 1.00 0.14 H new ATOM 0 HB2 ARG B 15 -0.374 1.138 -8.482 1.00 0.16 H new ATOM 0 HB3 ARG B 15 -0.140 2.795 -9.000 1.00 0.16 H new ATOM 0 HG2 ARG B 15 1.917 1.605 -10.326 1.00 0.25 H new ATOM 0 HG3 ARG B 15 0.794 0.262 -10.251 1.00 0.25 H new ATOM 0 HD2 ARG B 15 -0.956 1.573 -11.320 1.00 0.48 H new ATOM 0 HD3 ARG B 15 0.009 3.033 -11.223 1.00 0.48 H new ATOM 0 HE ARG B 15 1.649 1.377 -12.667 1.00 0.87 H new ATOM 0 HH11 ARG B 15 -1.810 2.048 -12.966 1.00 1.00 H new ATOM 0 HH12 ARG B 15 -1.793 1.941 -14.730 1.00 1.00 H new ATOM 0 HH21 ARG B 15 1.660 1.249 -14.929 1.00 1.72 H new ATOM 0 HH22 ARG B 15 0.164 1.490 -15.836 1.00 1.72 H new ATOM 1145 N VAL B 16 1.867 0.337 -6.099 1.00 0.14 N ATOM 1146 CA VAL B 16 2.331 -0.941 -5.587 1.00 0.14 C ATOM 1147 C VAL B 16 1.274 -1.988 -5.887 1.00 0.12 C ATOM 1148 O VAL B 16 0.103 -1.806 -5.561 1.00 0.11 O ATOM 1149 CB VAL B 16 2.613 -0.912 -4.057 1.00 0.16 C ATOM 1150 CG1 VAL B 16 1.336 -0.860 -3.239 1.00 0.15 C ATOM 1151 CG2 VAL B 16 3.460 -2.106 -3.651 1.00 0.17 C ATOM 0 H VAL B 16 1.418 0.937 -5.406 1.00 0.14 H new ATOM 0 HA VAL B 16 3.276 -1.177 -6.077 1.00 0.14 H new ATOM 0 HB VAL B 16 3.166 0.004 -3.847 1.00 0.16 H new ATOM 0 HG11 VAL B 16 1.584 -0.841 -2.178 1.00 0.15 H new ATOM 0 HG12 VAL B 16 0.775 0.039 -3.496 1.00 0.15 H new ATOM 0 HG13 VAL B 16 0.730 -1.740 -3.454 1.00 0.15 H new ATOM 0 HG21 VAL B 16 3.648 -2.071 -2.578 1.00 0.17 H new ATOM 0 HG22 VAL B 16 2.932 -3.027 -3.897 1.00 0.17 H new ATOM 0 HG23 VAL B 16 4.409 -2.078 -4.187 1.00 0.17 H new ATOM 1161 N VAL B 17 1.660 -3.062 -6.542 1.00 0.11 N ATOM 1162 CA VAL B 17 0.689 -4.069 -6.915 1.00 0.10 C ATOM 1163 C VAL B 17 0.321 -4.888 -5.697 1.00 0.10 C ATOM 1164 O VAL B 17 0.934 -5.918 -5.410 1.00 0.10 O ATOM 1165 CB VAL B 17 1.188 -4.996 -8.041 1.00 0.10 C ATOM 1166 CG1 VAL B 17 0.053 -5.864 -8.559 1.00 0.14 C ATOM 1167 CG2 VAL B 17 1.811 -4.193 -9.174 1.00 0.12 C ATOM 0 H VAL B 17 2.620 -3.259 -6.823 1.00 0.11 H new ATOM 0 HA VAL B 17 -0.187 -3.548 -7.302 1.00 0.10 H new ATOM 0 HB VAL B 17 1.959 -5.646 -7.627 1.00 0.10 H new ATOM 0 HG11 VAL B 17 0.424 -6.512 -9.353 1.00 0.14 H new ATOM 0 HG12 VAL B 17 -0.338 -6.475 -7.745 1.00 0.14 H new ATOM 0 HG13 VAL B 17 -0.742 -5.229 -8.950 1.00 0.14 H new ATOM 0 HG21 VAL B 17 2.155 -4.872 -9.955 1.00 0.12 H new ATOM 0 HG22 VAL B 17 1.068 -3.510 -9.587 1.00 0.12 H new ATOM 0 HG23 VAL B 17 2.657 -3.621 -8.792 1.00 0.12 H new ATOM 1177 N ILE B 18 -0.646 -4.379 -4.949 1.00 0.10 N ATOM 1178 CA ILE B 18 -1.127 -5.063 -3.781 1.00 0.10 C ATOM 1179 C ILE B 18 -1.845 -6.339 -4.206 1.00 0.09 C ATOM 1180 O ILE B 18 -2.804 -6.295 -4.978 1.00 0.10 O ATOM 1181 CB ILE B 18 -2.046 -4.187 -2.901 1.00 0.12 C ATOM 1182 CG1 ILE B 18 -2.892 -5.055 -1.957 1.00 0.12 C ATOM 1183 CG2 ILE B 18 -2.928 -3.273 -3.738 1.00 0.12 C ATOM 1184 CD1 ILE B 18 -3.608 -4.269 -0.884 1.00 0.16 C ATOM 0 H ILE B 18 -1.108 -3.490 -5.140 1.00 0.10 H new ATOM 0 HA ILE B 18 -0.263 -5.307 -3.163 1.00 0.10 H new ATOM 0 HB ILE B 18 -1.403 -3.549 -2.294 1.00 0.12 H new ATOM 0 HG12 ILE B 18 -3.628 -5.604 -2.545 1.00 0.12 H new ATOM 0 HG13 ILE B 18 -2.247 -5.795 -1.483 1.00 0.12 H new ATOM 0 HG21 ILE B 18 -3.559 -2.674 -3.081 1.00 0.12 H new ATOM 0 HG22 ILE B 18 -2.302 -2.614 -4.339 1.00 0.12 H new ATOM 0 HG23 ILE B 18 -3.556 -3.875 -4.394 1.00 0.12 H new ATOM 0 HD11 ILE B 18 -4.184 -4.950 -0.257 1.00 0.16 H new ATOM 0 HD12 ILE B 18 -2.877 -3.742 -0.271 1.00 0.16 H new ATOM 0 HD13 ILE B 18 -4.280 -3.547 -1.349 1.00 0.16 H new ATOM 1196 N PRO B 19 -1.379 -7.493 -3.728 1.00 0.11 N ATOM 1197 CA PRO B 19 -1.881 -8.789 -4.178 1.00 0.15 C ATOM 1198 C PRO B 19 -3.394 -8.931 -4.040 1.00 0.17 C ATOM 1199 O PRO B 19 -3.998 -8.393 -3.105 1.00 0.16 O ATOM 1200 CB PRO B 19 -1.173 -9.783 -3.263 1.00 0.19 C ATOM 1201 CG PRO B 19 0.058 -9.073 -2.815 1.00 0.17 C ATOM 1202 CD PRO B 19 -0.321 -7.626 -2.715 1.00 0.14 C ATOM 0 HA PRO B 19 -1.686 -8.940 -5.240 1.00 0.15 H new ATOM 0 HB2 PRO B 19 -1.801 -10.059 -2.416 1.00 0.19 H new ATOM 0 HB3 PRO B 19 -0.929 -10.704 -3.792 1.00 0.19 H new ATOM 0 HG2 PRO B 19 0.402 -9.455 -1.854 1.00 0.17 H new ATOM 0 HG3 PRO B 19 0.873 -9.216 -3.525 1.00 0.17 H new ATOM 0 HD2 PRO B 19 -0.681 -7.371 -1.718 1.00 0.14 H new ATOM 0 HD3 PRO B 19 0.525 -6.971 -2.926 1.00 0.14 H new ATOM 1210 N ILE B 20 -3.998 -9.682 -4.960 1.00 0.23 N ATOM 1211 CA ILE B 20 -5.444 -9.892 -4.944 1.00 0.27 C ATOM 1212 C ILE B 20 -5.858 -10.538 -3.640 1.00 0.28 C ATOM 1213 O ILE B 20 -6.949 -10.313 -3.141 1.00 0.28 O ATOM 1214 CB ILE B 20 -5.929 -10.773 -6.122 1.00 0.35 C ATOM 1215 CG1 ILE B 20 -5.440 -12.225 -5.989 1.00 0.40 C ATOM 1216 CG2 ILE B 20 -5.471 -10.167 -7.435 1.00 0.38 C ATOM 1217 CD1 ILE B 20 -6.427 -13.149 -5.299 1.00 0.43 C ATOM 0 H ILE B 20 -3.511 -10.153 -5.722 1.00 0.23 H new ATOM 0 HA ILE B 20 -5.908 -8.911 -5.048 1.00 0.27 H new ATOM 0 HB ILE B 20 -7.018 -10.801 -6.100 1.00 0.35 H new ATOM 0 HG12 ILE B 20 -5.225 -12.617 -6.983 1.00 0.40 H new ATOM 0 HG13 ILE B 20 -4.502 -12.232 -5.434 1.00 0.40 H new ATOM 0 HG21 ILE B 20 -5.814 -10.789 -8.262 1.00 0.38 H new ATOM 0 HG22 ILE B 20 -5.887 -9.165 -7.538 1.00 0.38 H new ATOM 0 HG23 ILE B 20 -4.383 -10.111 -7.450 1.00 0.38 H new ATOM 0 HD11 ILE B 20 -6.008 -14.154 -5.245 1.00 0.43 H new ATOM 0 HD12 ILE B 20 -6.625 -12.783 -4.291 1.00 0.43 H new ATOM 0 HD13 ILE B 20 -7.358 -13.174 -5.865 1.00 0.43 H new ATOM 1229 N GLU B 21 -4.946 -11.330 -3.102 1.00 0.30 N ATOM 1230 CA GLU B 21 -5.169 -12.087 -1.887 1.00 0.33 C ATOM 1231 C GLU B 21 -5.356 -11.143 -0.715 1.00 0.30 C ATOM 1232 O GLU B 21 -6.249 -11.310 0.123 1.00 0.30 O ATOM 1233 CB GLU B 21 -3.962 -12.990 -1.643 1.00 0.38 C ATOM 1234 CG GLU B 21 -3.102 -13.187 -2.886 1.00 0.37 C ATOM 1235 CD GLU B 21 -1.840 -13.976 -2.615 1.00 0.44 C ATOM 1236 OE1 GLU B 21 -0.822 -13.359 -2.240 1.00 1.06 O ATOM 1237 OE2 GLU B 21 -1.860 -15.213 -2.789 1.00 1.27 O ATOM 0 H GLU B 21 -4.018 -11.465 -3.504 1.00 0.30 H new ATOM 0 HA GLU B 21 -6.069 -12.694 -1.990 1.00 0.33 H new ATOM 0 HB2 GLU B 21 -3.350 -12.562 -0.849 1.00 0.38 H new ATOM 0 HB3 GLU B 21 -4.308 -13.962 -1.290 1.00 0.38 H new ATOM 0 HG2 GLU B 21 -3.688 -13.701 -3.648 1.00 0.37 H new ATOM 0 HG3 GLU B 21 -2.834 -12.212 -3.293 1.00 0.37 H new ATOM 1244 N LEU B 22 -4.523 -10.126 -0.675 1.00 0.28 N ATOM 1245 CA LEU B 22 -4.578 -9.171 0.395 1.00 0.27 C ATOM 1246 C LEU B 22 -5.791 -8.275 0.253 1.00 0.23 C ATOM 1247 O LEU B 22 -6.496 -8.040 1.226 1.00 0.25 O ATOM 1248 CB LEU B 22 -3.297 -8.361 0.462 1.00 0.28 C ATOM 1249 CG LEU B 22 -2.123 -9.120 1.068 1.00 0.30 C ATOM 1250 CD1 LEU B 22 -1.511 -10.080 0.066 1.00 0.52 C ATOM 1251 CD2 LEU B 22 -1.078 -8.157 1.595 1.00 0.41 C ATOM 0 H LEU B 22 -3.802 -9.945 -1.373 1.00 0.28 H new ATOM 0 HA LEU B 22 -4.675 -9.715 1.335 1.00 0.27 H new ATOM 0 HB2 LEU B 22 -3.029 -8.038 -0.544 1.00 0.28 H new ATOM 0 HB3 LEU B 22 -3.477 -7.460 1.049 1.00 0.28 H new ATOM 0 HG LEU B 22 -2.502 -9.708 1.904 1.00 0.30 H new ATOM 0 HD11 LEU B 22 -0.676 -10.606 0.529 1.00 0.52 H new ATOM 0 HD12 LEU B 22 -2.263 -10.802 -0.252 1.00 0.52 H new ATOM 0 HD13 LEU B 22 -1.153 -9.523 -0.800 1.00 0.52 H new ATOM 0 HD21 LEU B 22 -0.248 -8.719 2.024 1.00 0.41 H new ATOM 0 HD22 LEU B 22 -0.712 -7.535 0.778 1.00 0.41 H new ATOM 0 HD23 LEU B 22 -1.522 -7.523 2.363 1.00 0.41 H new ATOM 1263 N ARG B 23 -6.080 -7.822 -0.965 1.00 0.20 N ATOM 1264 CA ARG B 23 -7.251 -6.986 -1.186 1.00 0.19 C ATOM 1265 C ARG B 23 -8.508 -7.830 -0.983 1.00 0.20 C ATOM 1266 O ARG B 23 -9.594 -7.318 -0.720 1.00 0.21 O ATOM 1267 CB ARG B 23 -7.201 -6.331 -2.583 1.00 0.22 C ATOM 1268 CG ARG B 23 -7.458 -7.265 -3.751 1.00 0.33 C ATOM 1269 CD ARG B 23 -8.948 -7.387 -4.029 1.00 0.48 C ATOM 1270 NE ARG B 23 -9.244 -8.163 -5.229 1.00 0.71 N ATOM 1271 CZ ARG B 23 -10.464 -8.599 -5.541 1.00 0.94 C ATOM 1272 NH1 ARG B 23 -11.498 -8.318 -4.753 1.00 1.10 N ATOM 1273 NH2 ARG B 23 -10.656 -9.295 -6.650 1.00 1.20 N ATOM 0 H ARG B 23 -5.528 -8.017 -1.800 1.00 0.20 H new ATOM 0 HA ARG B 23 -7.267 -6.169 -0.465 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -7.936 -5.527 -2.615 1.00 0.22 H new ATOM 0 HB3 ARG B 23 -6.221 -5.873 -2.715 1.00 0.22 H new ATOM 0 HG2 ARG B 23 -6.947 -6.893 -4.639 1.00 0.33 H new ATOM 0 HG3 ARG B 23 -7.043 -8.249 -3.534 1.00 0.33 H new ATOM 0 HD2 ARG B 23 -9.434 -7.854 -3.172 1.00 0.48 H new ATOM 0 HD3 ARG B 23 -9.375 -6.390 -4.134 1.00 0.48 H new ATOM 0 HE ARG B 23 -8.476 -8.383 -5.863 1.00 0.71 H new ATOM 0 HH11 ARG B 23 -11.359 -7.767 -3.906 1.00 1.10 H new ATOM 0 HH12 ARG B 23 -12.430 -8.654 -4.996 1.00 1.10 H new ATOM 0 HH21 ARG B 23 -9.870 -9.498 -7.267 1.00 1.20 H new ATOM 0 HH22 ARG B 23 -11.590 -9.628 -6.888 1.00 1.20 H new ATOM 1287 N ARG B 24 -8.313 -9.136 -1.077 1.00 0.24 N ATOM 1288 CA ARG B 24 -9.328 -10.125 -0.770 1.00 0.27 C ATOM 1289 C ARG B 24 -9.507 -10.201 0.734 1.00 0.29 C ATOM 1290 O ARG B 24 -10.596 -10.465 1.244 1.00 0.33 O ATOM 1291 CB ARG B 24 -8.874 -11.474 -1.322 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.701 -12.641 -0.855 1.00 0.38 C ATOM 1293 CD ARG B 24 -8.807 -13.708 -0.246 1.00 0.65 C ATOM 1294 NE ARG B 24 -9.562 -14.873 0.206 1.00 0.70 N ATOM 1295 CZ ARG B 24 -9.008 -16.038 0.542 1.00 1.25 C ATOM 1296 NH1 ARG B 24 -7.688 -16.181 0.540 1.00 2.11 N ATOM 1297 NH2 ARG B 24 -9.777 -17.053 0.912 1.00 1.28 N ATOM 0 H ARG B 24 -7.427 -9.544 -1.375 1.00 0.24 H new ATOM 0 HA ARG B 24 -10.281 -9.852 -1.223 1.00 0.27 H new ATOM 0 HB2 ARG B 24 -8.901 -11.436 -2.411 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.836 -11.641 -1.035 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.433 -12.306 -0.120 1.00 0.38 H new ATOM 0 HG3 ARG B 24 -10.259 -13.059 -1.693 1.00 0.38 H new ATOM 0 HD2 ARG B 24 -8.066 -14.021 -0.982 1.00 0.65 H new ATOM 0 HD3 ARG B 24 -8.260 -13.283 0.596 1.00 0.65 H new ATOM 0 HE ARG B 24 -10.577 -14.790 0.269 1.00 0.70 H new ATOM 0 HH11 ARG B 24 -7.090 -15.396 0.280 1.00 2.11 H new ATOM 0 HH12 ARG B 24 -7.272 -17.076 0.798 1.00 2.11 H new ATOM 0 HH21 ARG B 24 -10.791 -16.942 0.939 1.00 1.28 H new ATOM 0 HH22 ARG B 24 -9.355 -17.945 1.169 1.00 1.28 H new ATOM 1311 N THR B 25 -8.415 -9.940 1.434 1.00 0.29 N ATOM 1312 CA THR B 25 -8.407 -9.953 2.878 1.00 0.35 C ATOM 1313 C THR B 25 -9.152 -8.747 3.435 1.00 0.33 C ATOM 1314 O THR B 25 -9.885 -8.858 4.418 1.00 0.37 O ATOM 1315 CB THR B 25 -6.962 -9.985 3.415 1.00 0.41 C ATOM 1316 OG1 THR B 25 -6.311 -11.180 2.964 1.00 0.45 O ATOM 1317 CG2 THR B 25 -6.935 -9.920 4.935 1.00 0.51 C ATOM 0 H THR B 25 -7.514 -9.714 1.013 1.00 0.29 H new ATOM 0 HA THR B 25 -8.919 -10.856 3.209 1.00 0.35 H new ATOM 0 HB THR B 25 -6.434 -9.111 3.034 1.00 0.41 H new ATOM 0 HG1 THR B 25 -6.277 -11.184 1.985 1.00 0.45 H new ATOM 0 HG21 THR B 25 -5.902 -9.945 5.282 1.00 0.51 H new ATOM 0 HG22 THR B 25 -7.408 -8.996 5.268 1.00 0.51 H new ATOM 0 HG23 THR B 25 -7.476 -10.773 5.345 1.00 0.51 H new ATOM 1325 N LEU B 26 -8.983 -7.597 2.793 1.00 0.30 N ATOM 1326 CA LEU B 26 -9.630 -6.381 3.266 1.00 0.33 C ATOM 1327 C LEU B 26 -11.058 -6.300 2.744 1.00 0.32 C ATOM 1328 O LEU B 26 -11.886 -5.560 3.275 1.00 0.43 O ATOM 1329 CB LEU B 26 -8.878 -5.117 2.833 1.00 0.40 C ATOM 1330 CG LEU B 26 -7.361 -5.063 3.081 1.00 0.50 C ATOM 1331 CD1 LEU B 26 -6.899 -6.061 4.136 1.00 0.59 C ATOM 1332 CD2 LEU B 26 -6.611 -5.255 1.779 1.00 0.54 C ATOM 0 H LEU B 26 -8.412 -7.482 1.956 1.00 0.30 H new ATOM 0 HA LEU B 26 -9.626 -6.430 4.355 1.00 0.33 H new ATOM 0 HB2 LEU B 26 -9.048 -4.976 1.766 1.00 0.40 H new ATOM 0 HB3 LEU B 26 -9.331 -4.267 3.343 1.00 0.40 H new ATOM 0 HG LEU B 26 -7.133 -4.074 3.479 1.00 0.50 H new ATOM 0 HD11 LEU B 26 -5.820 -5.977 4.268 1.00 0.59 H new ATOM 0 HD12 LEU B 26 -7.398 -5.848 5.081 1.00 0.59 H new ATOM 0 HD13 LEU B 26 -7.147 -7.072 3.814 1.00 0.59 H new ATOM 0 HD21 LEU B 26 -5.538 -5.215 1.968 1.00 0.54 H new ATOM 0 HD22 LEU B 26 -6.868 -6.224 1.351 1.00 0.54 H new ATOM 0 HD23 LEU B 26 -6.886 -4.465 1.081 1.00 0.54 H new ATOM 1344 N GLY B 27 -11.334 -7.058 1.692 1.00 0.24 N ATOM 1345 CA GLY B 27 -12.640 -7.021 1.069 1.00 0.27 C ATOM 1346 C GLY B 27 -12.787 -5.847 0.125 1.00 0.33 C ATOM 1347 O GLY B 27 -13.893 -5.361 -0.116 1.00 0.52 O ATOM 0 H GLY B 27 -10.672 -7.701 1.258 1.00 0.24 H new ATOM 0 HA2 GLY B 27 -12.807 -7.949 0.522 1.00 0.27 H new ATOM 0 HA3 GLY B 27 -13.408 -6.964 1.841 1.00 0.27 H new ATOM 1351 N ILE B 28 -11.664 -5.376 -0.395 1.00 0.32 N ATOM 1352 CA ILE B 28 -11.656 -4.280 -1.349 1.00 0.36 C ATOM 1353 C ILE B 28 -11.516 -4.822 -2.773 1.00 0.32 C ATOM 1354 O ILE B 28 -11.772 -6.002 -3.028 1.00 0.35 O ATOM 1355 CB ILE B 28 -10.497 -3.297 -1.066 1.00 0.42 C ATOM 1356 CG1 ILE B 28 -9.157 -3.979 -1.304 1.00 0.42 C ATOM 1357 CG2 ILE B 28 -10.588 -2.759 0.354 1.00 0.73 C ATOM 1358 CD1 ILE B 28 -7.987 -3.031 -1.253 1.00 0.50 C ATOM 0 H ILE B 28 -10.739 -5.741 -0.169 1.00 0.32 H new ATOM 0 HA ILE B 28 -12.601 -3.746 -1.246 1.00 0.36 H new ATOM 0 HB ILE B 28 -10.579 -2.454 -1.752 1.00 0.42 H new ATOM 0 HG12 ILE B 28 -9.016 -4.759 -0.556 1.00 0.42 H new ATOM 0 HG13 ILE B 28 -9.175 -4.470 -2.277 1.00 0.42 H new ATOM 0 HG21 ILE B 28 -9.764 -2.069 0.535 1.00 0.73 H new ATOM 0 HG22 ILE B 28 -11.535 -2.236 0.485 1.00 0.73 H new ATOM 0 HG23 ILE B 28 -10.530 -3.587 1.061 1.00 0.73 H new ATOM 0 HD11 ILE B 28 -7.064 -3.583 -1.431 1.00 0.50 H new ATOM 0 HD12 ILE B 28 -8.105 -2.265 -2.020 1.00 0.50 H new ATOM 0 HD13 ILE B 28 -7.944 -2.558 -0.272 1.00 0.50 H new ATOM 1370 N ALA B 29 -11.075 -3.963 -3.677 1.00 0.30 N ATOM 1371 CA ALA B 29 -10.929 -4.307 -5.082 1.00 0.33 C ATOM 1372 C ALA B 29 -10.078 -3.259 -5.779 1.00 0.43 C ATOM 1373 O ALA B 29 -9.652 -2.293 -5.156 1.00 0.92 O ATOM 1374 CB ALA B 29 -12.289 -4.423 -5.752 1.00 0.36 C ATOM 0 H ALA B 29 -10.807 -3.004 -3.456 1.00 0.30 H new ATOM 0 HA ALA B 29 -10.434 -5.275 -5.158 1.00 0.33 H new ATOM 0 HB1 ALA B 29 -12.156 -4.681 -6.803 1.00 0.36 H new ATOM 0 HB2 ALA B 29 -12.873 -5.200 -5.258 1.00 0.36 H new ATOM 0 HB3 ALA B 29 -12.815 -3.471 -5.676 1.00 0.36 H new ATOM 1380 N GLU B 30 -9.847 -3.448 -7.067 1.00 0.31 N ATOM 1381 CA GLU B 30 -8.993 -2.557 -7.848 1.00 0.29 C ATOM 1382 C GLU B 30 -9.648 -1.197 -8.034 1.00 0.28 C ATOM 1383 O GLU B 30 -8.981 -0.167 -8.099 1.00 0.36 O ATOM 1384 CB GLU B 30 -8.721 -3.187 -9.218 1.00 0.36 C ATOM 1385 CG GLU B 30 -9.980 -3.251 -10.077 1.00 0.47 C ATOM 1386 CD GLU B 30 -9.805 -3.958 -11.400 1.00 0.78 C ATOM 1387 OE1 GLU B 30 -9.758 -5.203 -11.414 1.00 1.50 O ATOM 1388 OE2 GLU B 30 -9.750 -3.261 -12.433 1.00 1.44 O ATOM 0 H GLU B 30 -10.243 -4.220 -7.603 1.00 0.31 H new ATOM 0 HA GLU B 30 -8.056 -2.415 -7.309 1.00 0.29 H new ATOM 0 HB2 GLU B 30 -7.957 -2.609 -9.737 1.00 0.36 H new ATOM 0 HB3 GLU B 30 -8.323 -4.193 -9.082 1.00 0.36 H new ATOM 0 HG2 GLU B 30 -10.764 -3.755 -9.512 1.00 0.47 H new ATOM 0 HG3 GLU B 30 -10.327 -2.235 -10.266 1.00 0.47 H new ATOM 1395 N LYS B 31 -10.959 -1.207 -8.119 1.00 0.24 N ATOM 1396 CA LYS B 31 -11.716 0.005 -8.303 1.00 0.25 C ATOM 1397 C LYS B 31 -11.977 0.643 -6.956 1.00 0.24 C ATOM 1398 O LYS B 31 -12.632 1.682 -6.854 1.00 0.28 O ATOM 1399 CB LYS B 31 -13.024 -0.309 -9.015 1.00 0.27 C ATOM 1400 CG LYS B 31 -12.847 -1.076 -10.320 1.00 0.30 C ATOM 1401 CD LYS B 31 -12.486 -0.157 -11.477 1.00 0.40 C ATOM 1402 CE LYS B 31 -11.009 0.191 -11.479 1.00 0.37 C ATOM 1403 NZ LYS B 31 -10.238 -0.620 -12.458 1.00 0.46 N ATOM 0 H LYS B 31 -11.526 -2.053 -8.063 1.00 0.24 H new ATOM 0 HA LYS B 31 -11.150 0.705 -8.918 1.00 0.25 H new ATOM 0 HB2 LYS B 31 -13.660 -0.890 -8.347 1.00 0.27 H new ATOM 0 HB3 LYS B 31 -13.547 0.625 -9.222 1.00 0.27 H new ATOM 0 HG2 LYS B 31 -12.066 -1.827 -10.196 1.00 0.30 H new ATOM 0 HG3 LYS B 31 -13.768 -1.610 -10.555 1.00 0.30 H new ATOM 0 HD2 LYS B 31 -12.747 -0.639 -12.419 1.00 0.40 H new ATOM 0 HD3 LYS B 31 -13.075 0.758 -11.412 1.00 0.40 H new ATOM 0 HE2 LYS B 31 -10.888 1.249 -11.712 1.00 0.37 H new ATOM 0 HE3 LYS B 31 -10.600 0.036 -10.481 1.00 0.37 H new ATOM 0 HZ1 LYS B 31 -9.220 -0.484 -12.296 1.00 0.46 H new ATOM 0 HZ2 LYS B 31 -10.476 -1.625 -12.340 1.00 0.46 H new ATOM 0 HZ3 LYS B 31 -10.478 -0.318 -13.424 1.00 0.46 H new ATOM 1417 N ASP B 32 -11.452 0.011 -5.915 1.00 0.21 N ATOM 1418 CA ASP B 32 -11.616 0.514 -4.574 1.00 0.21 C ATOM 1419 C ASP B 32 -10.518 1.494 -4.223 1.00 0.22 C ATOM 1420 O ASP B 32 -9.477 1.550 -4.880 1.00 0.40 O ATOM 1421 CB ASP B 32 -11.675 -0.626 -3.556 1.00 0.21 C ATOM 1422 CG ASP B 32 -13.087 -1.134 -3.340 1.00 1.19 C ATOM 1423 OD1 ASP B 32 -13.607 -1.855 -4.215 1.00 2.05 O ATOM 1424 OD2 ASP B 32 -13.688 -0.805 -2.295 1.00 1.85 O ATOM 0 H ASP B 32 -10.910 -0.851 -5.982 1.00 0.21 H new ATOM 0 HA ASP B 32 -12.567 1.044 -4.535 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.044 -1.447 -3.897 1.00 0.21 H new ATOM 0 HB3 ASP B 32 -11.266 -0.283 -2.606 1.00 0.21 H new ATOM 1429 N ALA B 33 -10.775 2.293 -3.208 1.00 0.21 N ATOM 1430 CA ALA B 33 -9.799 3.241 -2.723 1.00 0.17 C ATOM 1431 C ALA B 33 -9.278 2.777 -1.378 1.00 0.15 C ATOM 1432 O ALA B 33 -9.953 2.034 -0.660 1.00 0.25 O ATOM 1433 CB ALA B 33 -10.403 4.634 -2.604 1.00 0.21 C ATOM 0 H ALA B 33 -11.660 2.303 -2.701 1.00 0.21 H new ATOM 0 HA ALA B 33 -8.976 3.295 -3.435 1.00 0.17 H new ATOM 0 HB1 ALA B 33 -9.647 5.328 -2.237 1.00 0.21 H new ATOM 0 HB2 ALA B 33 -10.754 4.963 -3.582 1.00 0.21 H new ATOM 0 HB3 ALA B 33 -11.241 4.609 -1.908 1.00 0.21 H new ATOM 1439 N LEU B 34 -8.093 3.215 -1.041 1.00 0.11 N ATOM 1440 CA LEU B 34 -7.475 2.866 0.212 1.00 0.12 C ATOM 1441 C LEU B 34 -6.978 4.130 0.863 1.00 0.12 C ATOM 1442 O LEU B 34 -6.309 4.930 0.222 1.00 0.14 O ATOM 1443 CB LEU B 34 -6.311 1.907 -0.021 1.00 0.14 C ATOM 1444 CG LEU B 34 -6.712 0.521 -0.518 1.00 0.15 C ATOM 1445 CD1 LEU B 34 -5.477 -0.282 -0.890 1.00 0.23 C ATOM 1446 CD2 LEU B 34 -7.509 -0.204 0.553 1.00 0.33 C ATOM 0 H LEU B 34 -7.527 3.826 -1.630 1.00 0.11 H new ATOM 0 HA LEU B 34 -8.200 2.371 0.858 1.00 0.12 H new ATOM 0 HB2 LEU B 34 -5.630 2.354 -0.745 1.00 0.14 H new ATOM 0 HB3 LEU B 34 -5.757 1.797 0.911 1.00 0.14 H new ATOM 0 HG LEU B 34 -7.335 0.631 -1.406 1.00 0.15 H new ATOM 0 HD11 LEU B 34 -5.777 -1.269 -1.243 1.00 0.23 H new ATOM 0 HD12 LEU B 34 -4.931 0.235 -1.679 1.00 0.23 H new ATOM 0 HD13 LEU B 34 -4.836 -0.389 -0.015 1.00 0.23 H new ATOM 0 HD21 LEU B 34 -7.791 -1.192 0.190 1.00 0.33 H new ATOM 0 HD22 LEU B 34 -6.901 -0.307 1.452 1.00 0.33 H new ATOM 0 HD23 LEU B 34 -8.408 0.367 0.787 1.00 0.33 H new ATOM 1458 N GLU B 35 -7.305 4.309 2.118 1.00 0.14 N ATOM 1459 CA GLU B 35 -6.930 5.492 2.830 1.00 0.16 C ATOM 1460 C GLU B 35 -5.578 5.251 3.455 1.00 0.13 C ATOM 1461 O GLU B 35 -5.454 4.565 4.471 1.00 0.14 O ATOM 1462 CB GLU B 35 -7.971 5.825 3.883 1.00 0.25 C ATOM 1463 CG GLU B 35 -7.897 7.264 4.339 1.00 0.33 C ATOM 1464 CD GLU B 35 -8.954 7.614 5.367 1.00 0.47 C ATOM 1465 OE1 GLU B 35 -10.069 7.055 5.303 1.00 1.01 O ATOM 1466 OE2 GLU B 35 -8.669 8.440 6.259 1.00 1.29 O ATOM 0 H GLU B 35 -7.838 3.636 2.669 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.872 6.344 2.152 1.00 0.16 H new ATOM 0 HB2 GLU B 35 -8.965 5.626 3.482 1.00 0.25 H new ATOM 0 HB3 GLU B 35 -7.836 5.168 4.742 1.00 0.25 H new ATOM 0 HG2 GLU B 35 -6.910 7.456 4.761 1.00 0.33 H new ATOM 0 HG3 GLU B 35 -8.007 7.919 3.475 1.00 0.33 H new ATOM 1473 N ILE B 36 -4.567 5.772 2.806 1.00 0.11 N ATOM 1474 CA ILE B 36 -3.202 5.484 3.189 1.00 0.09 C ATOM 1475 C ILE B 36 -2.668 6.466 4.231 1.00 0.10 C ATOM 1476 O ILE B 36 -2.842 7.685 4.135 1.00 0.12 O ATOM 1477 CB ILE B 36 -2.277 5.493 1.963 1.00 0.11 C ATOM 1478 CG1 ILE B 36 -2.712 4.439 0.946 1.00 0.10 C ATOM 1479 CG2 ILE B 36 -0.837 5.257 2.384 1.00 0.14 C ATOM 1480 CD1 ILE B 36 -3.294 5.032 -0.317 1.00 0.13 C ATOM 0 H ILE B 36 -4.661 6.400 2.008 1.00 0.11 H new ATOM 0 HA ILE B 36 -3.212 4.490 3.636 1.00 0.09 H new ATOM 0 HB ILE B 36 -2.347 6.473 1.491 1.00 0.11 H new ATOM 0 HG12 ILE B 36 -1.854 3.819 0.686 1.00 0.10 H new ATOM 0 HG13 ILE B 36 -3.452 3.784 1.406 1.00 0.10 H new ATOM 0 HG21 ILE B 36 -0.194 5.266 1.504 1.00 0.14 H new ATOM 0 HG22 ILE B 36 -0.525 6.045 3.070 1.00 0.14 H new ATOM 0 HG23 ILE B 36 -0.757 4.290 2.881 1.00 0.14 H new ATOM 0 HD11 ILE B 36 -3.582 4.230 -0.996 1.00 0.13 H new ATOM 0 HD12 ILE B 36 -4.171 5.629 -0.068 1.00 0.13 H new ATOM 0 HD13 ILE B 36 -2.549 5.665 -0.799 1.00 0.13 H new ATOM 1492 N TYR B 37 -2.001 5.899 5.213 1.00 0.11 N ATOM 1493 CA TYR B 37 -1.376 6.634 6.297 1.00 0.12 C ATOM 1494 C TYR B 37 0.079 6.205 6.382 1.00 0.11 C ATOM 1495 O TYR B 37 0.528 5.380 5.587 1.00 0.11 O ATOM 1496 CB TYR B 37 -2.035 6.333 7.644 1.00 0.16 C ATOM 1497 CG TYR B 37 -3.540 6.456 7.696 1.00 0.39 C ATOM 1498 CD1 TYR B 37 -4.141 7.666 8.008 1.00 1.12 C ATOM 1499 CD2 TYR B 37 -4.355 5.351 7.482 1.00 1.43 C ATOM 1500 CE1 TYR B 37 -5.513 7.778 8.094 1.00 1.19 C ATOM 1501 CE2 TYR B 37 -5.728 5.455 7.573 1.00 1.59 C ATOM 1502 CZ TYR B 37 -6.302 6.670 7.880 1.00 0.88 C ATOM 1503 OH TYR B 37 -7.667 6.775 7.982 1.00 1.13 O ATOM 0 H TYR B 37 -1.874 4.889 5.284 1.00 0.11 H new ATOM 0 HA TYR B 37 -1.480 7.699 6.092 1.00 0.12 H new ATOM 0 HB2 TYR B 37 -1.764 5.319 7.938 1.00 0.16 H new ATOM 0 HB3 TYR B 37 -1.611 7.005 8.390 1.00 0.16 H new ATOM 0 HD1 TYR B 37 -3.525 8.535 8.187 1.00 1.12 H new ATOM 0 HD2 TYR B 37 -3.908 4.398 7.241 1.00 1.43 H new ATOM 0 HE1 TYR B 37 -5.966 8.730 8.328 1.00 1.19 H new ATOM 0 HE2 TYR B 37 -6.350 4.588 7.404 1.00 1.59 H new ATOM 0 HH TYR B 37 -7.949 7.667 7.690 1.00 1.13 H new ATOM 1513 N VAL B 38 0.809 6.759 7.337 1.00 0.12 N ATOM 1514 CA VAL B 38 2.185 6.352 7.591 1.00 0.13 C ATOM 1515 C VAL B 38 2.506 6.423 9.081 1.00 0.14 C ATOM 1516 O VAL B 38 2.177 7.392 9.758 1.00 0.17 O ATOM 1517 CB VAL B 38 3.209 7.204 6.796 1.00 0.15 C ATOM 1518 CG1 VAL B 38 4.613 7.051 7.361 1.00 0.16 C ATOM 1519 CG2 VAL B 38 3.200 6.841 5.321 1.00 0.19 C ATOM 0 H VAL B 38 0.470 7.497 7.954 1.00 0.12 H new ATOM 0 HA VAL B 38 2.272 5.321 7.249 1.00 0.13 H new ATOM 0 HB VAL B 38 2.908 8.246 6.898 1.00 0.15 H new ATOM 0 HG11 VAL B 38 5.307 7.661 6.782 1.00 0.16 H new ATOM 0 HG12 VAL B 38 4.624 7.377 8.401 1.00 0.16 H new ATOM 0 HG13 VAL B 38 4.916 6.005 7.306 1.00 0.16 H new ATOM 0 HG21 VAL B 38 3.928 7.455 4.791 1.00 0.19 H new ATOM 0 HG22 VAL B 38 3.459 5.789 5.204 1.00 0.19 H new ATOM 0 HG23 VAL B 38 2.207 7.018 4.909 1.00 0.19 H new ATOM 1529 N ASP B 39 3.151 5.378 9.569 1.00 0.16 N ATOM 1530 CA ASP B 39 3.606 5.301 10.947 1.00 0.20 C ATOM 1531 C ASP B 39 5.082 5.631 10.992 1.00 0.24 C ATOM 1532 O ASP B 39 5.920 4.780 10.685 1.00 0.35 O ATOM 1533 CB ASP B 39 3.351 3.902 11.526 1.00 0.37 C ATOM 1534 CG ASP B 39 4.132 3.625 12.801 1.00 0.99 C ATOM 1535 OD1 ASP B 39 3.738 4.127 13.871 1.00 1.49 O ATOM 1536 OD2 ASP B 39 5.140 2.887 12.734 1.00 1.71 O ATOM 0 H ASP B 39 3.376 4.551 9.015 1.00 0.16 H new ATOM 0 HA ASP B 39 3.051 6.017 11.553 1.00 0.20 H new ATOM 0 HB2 ASP B 39 2.286 3.790 11.729 1.00 0.37 H new ATOM 0 HB3 ASP B 39 3.613 3.154 10.778 1.00 0.37 H new ATOM 1541 N ASP B 40 5.375 6.892 11.307 1.00 0.33 N ATOM 1542 CA ASP B 40 6.739 7.419 11.366 1.00 0.46 C ATOM 1543 C ASP B 40 7.399 7.410 9.991 1.00 0.51 C ATOM 1544 O ASP B 40 7.693 8.460 9.420 1.00 0.90 O ATOM 1545 CB ASP B 40 7.600 6.625 12.347 1.00 0.71 C ATOM 1546 CG ASP B 40 8.874 7.356 12.712 1.00 1.40 C ATOM 1547 OD1 ASP B 40 8.789 8.417 13.365 1.00 2.08 O ATOM 1548 OD2 ASP B 40 9.968 6.861 12.372 1.00 1.98 O ATOM 0 H ASP B 40 4.662 7.586 11.532 1.00 0.33 H new ATOM 0 HA ASP B 40 6.664 8.449 11.715 1.00 0.46 H new ATOM 0 HB2 ASP B 40 7.026 6.425 13.252 1.00 0.71 H new ATOM 0 HB3 ASP B 40 7.850 5.659 11.908 1.00 0.71 H new ATOM 1553 N GLU B 41 7.613 6.215 9.471 1.00 0.40 N ATOM 1554 CA GLU B 41 8.298 6.025 8.212 1.00 0.60 C ATOM 1555 C GLU B 41 7.807 4.764 7.500 1.00 0.45 C ATOM 1556 O GLU B 41 8.501 4.234 6.631 1.00 0.48 O ATOM 1557 CB GLU B 41 9.799 5.919 8.465 1.00 1.02 C ATOM 1558 CG GLU B 41 10.149 4.933 9.567 1.00 1.19 C ATOM 1559 CD GLU B 41 11.635 4.660 9.646 1.00 1.70 C ATOM 1560 OE1 GLU B 41 12.382 5.522 10.157 1.00 2.39 O ATOM 1561 OE2 GLU B 41 12.068 3.585 9.183 1.00 1.96 O ATOM 0 H GLU B 41 7.314 5.347 9.915 1.00 0.40 H new ATOM 0 HA GLU B 41 8.086 6.881 7.571 1.00 0.60 H new ATOM 0 HB2 GLU B 41 10.296 5.617 7.543 1.00 1.02 H new ATOM 0 HB3 GLU B 41 10.187 6.903 8.729 1.00 1.02 H new ATOM 0 HG2 GLU B 41 9.803 5.324 10.524 1.00 1.19 H new ATOM 0 HG3 GLU B 41 9.619 3.996 9.395 1.00 1.19 H new ATOM 1568 N LYS B 42 6.626 4.266 7.871 1.00 0.32 N ATOM 1569 CA LYS B 42 6.059 3.122 7.170 1.00 0.28 C ATOM 1570 C LYS B 42 4.620 3.367 6.761 1.00 0.20 C ATOM 1571 O LYS B 42 3.919 4.153 7.366 1.00 0.18 O ATOM 1572 CB LYS B 42 6.159 1.845 8.015 1.00 0.35 C ATOM 1573 CG LYS B 42 5.094 1.738 9.098 1.00 0.44 C ATOM 1574 CD LYS B 42 5.188 0.419 9.848 1.00 0.52 C ATOM 1575 CE LYS B 42 3.995 0.214 10.771 1.00 0.41 C ATOM 1576 NZ LYS B 42 4.151 -0.997 11.617 1.00 0.83 N ATOM 0 H LYS B 42 6.057 4.630 8.636 1.00 0.32 H new ATOM 0 HA LYS B 42 6.648 2.985 6.263 1.00 0.28 H new ATOM 0 HB2 LYS B 42 6.083 0.979 7.358 1.00 0.35 H new ATOM 0 HB3 LYS B 42 7.143 1.806 8.482 1.00 0.35 H new ATOM 0 HG2 LYS B 42 5.204 2.565 9.800 1.00 0.44 H new ATOM 0 HG3 LYS B 42 4.106 1.831 8.648 1.00 0.44 H new ATOM 0 HD2 LYS B 42 5.242 -0.403 9.134 1.00 0.52 H new ATOM 0 HD3 LYS B 42 6.108 0.396 10.431 1.00 0.52 H new ATOM 0 HE2 LYS B 42 3.875 1.090 11.409 1.00 0.41 H new ATOM 0 HE3 LYS B 42 3.086 0.126 10.176 1.00 0.41 H new ATOM 0 HZ1 LYS B 42 3.318 -1.101 12.231 1.00 0.83 H new ATOM 0 HZ2 LYS B 42 4.240 -1.836 11.009 1.00 0.83 H new ATOM 0 HZ3 LYS B 42 5.004 -0.903 12.204 1.00 0.83 H new ATOM 1590 N ILE B 43 4.185 2.640 5.756 1.00 0.16 N ATOM 1591 CA ILE B 43 2.921 2.894 5.090 1.00 0.13 C ATOM 1592 C ILE B 43 1.790 2.070 5.706 1.00 0.12 C ATOM 1593 O ILE B 43 1.979 0.911 6.062 1.00 0.13 O ATOM 1594 CB ILE B 43 3.050 2.532 3.605 1.00 0.12 C ATOM 1595 CG1 ILE B 43 4.368 3.064 3.045 1.00 0.20 C ATOM 1596 CG2 ILE B 43 1.886 3.088 2.821 1.00 0.12 C ATOM 1597 CD1 ILE B 43 4.791 2.393 1.760 1.00 0.47 C ATOM 0 H ILE B 43 4.701 1.848 5.372 1.00 0.16 H new ATOM 0 HA ILE B 43 2.681 3.951 5.208 1.00 0.13 H new ATOM 0 HB ILE B 43 3.041 1.446 3.511 1.00 0.12 H new ATOM 0 HG12 ILE B 43 4.274 4.136 2.872 1.00 0.20 H new ATOM 0 HG13 ILE B 43 5.151 2.929 3.791 1.00 0.20 H new ATOM 0 HG21 ILE B 43 1.995 2.821 1.770 1.00 0.12 H new ATOM 0 HG22 ILE B 43 0.955 2.672 3.207 1.00 0.12 H new ATOM 0 HG23 ILE B 43 1.866 4.173 2.920 1.00 0.12 H new ATOM 0 HD11 ILE B 43 5.734 2.820 1.420 1.00 0.47 H new ATOM 0 HD12 ILE B 43 4.918 1.324 1.932 1.00 0.47 H new ATOM 0 HD13 ILE B 43 4.027 2.550 0.999 1.00 0.47 H new ATOM 1609 N ILE B 44 0.620 2.682 5.848 1.00 0.12 N ATOM 1610 CA ILE B 44 -0.546 1.999 6.404 1.00 0.13 C ATOM 1611 C ILE B 44 -1.732 2.164 5.466 1.00 0.12 C ATOM 1612 O ILE B 44 -2.326 3.234 5.400 1.00 0.12 O ATOM 1613 CB ILE B 44 -0.972 2.543 7.796 1.00 0.14 C ATOM 1614 CG1 ILE B 44 0.090 3.474 8.403 1.00 0.14 C ATOM 1615 CG2 ILE B 44 -1.275 1.387 8.740 1.00 0.18 C ATOM 1616 CD1 ILE B 44 1.359 2.784 8.850 1.00 0.15 C ATOM 0 H ILE B 44 0.452 3.653 5.585 1.00 0.12 H new ATOM 0 HA ILE B 44 -0.257 0.954 6.518 1.00 0.13 H new ATOM 0 HB ILE B 44 -1.875 3.137 7.656 1.00 0.14 H new ATOM 0 HG12 ILE B 44 0.348 4.236 7.668 1.00 0.14 H new ATOM 0 HG13 ILE B 44 -0.346 3.991 9.258 1.00 0.14 H new ATOM 0 HG21 ILE B 44 -1.572 1.780 9.712 1.00 0.18 H new ATOM 0 HG22 ILE B 44 -2.085 0.784 8.329 1.00 0.18 H new ATOM 0 HG23 ILE B 44 -0.385 0.769 8.855 1.00 0.18 H new ATOM 0 HD11 ILE B 44 2.047 3.521 9.264 1.00 0.15 H new ATOM 0 HD12 ILE B 44 1.121 2.042 9.612 1.00 0.15 H new ATOM 0 HD13 ILE B 44 1.825 2.291 7.997 1.00 0.15 H new ATOM 1628 N LEU B 45 -2.075 1.120 4.734 1.00 0.13 N ATOM 1629 CA LEU B 45 -3.202 1.189 3.824 1.00 0.12 C ATOM 1630 C LEU B 45 -4.471 0.706 4.504 1.00 0.12 C ATOM 1631 O LEU B 45 -4.643 -0.481 4.766 1.00 0.12 O ATOM 1632 CB LEU B 45 -2.950 0.363 2.555 1.00 0.12 C ATOM 1633 CG LEU B 45 -2.217 1.085 1.423 1.00 0.11 C ATOM 1634 CD1 LEU B 45 -0.826 1.506 1.852 1.00 0.12 C ATOM 1635 CD2 LEU B 45 -2.144 0.196 0.193 1.00 0.12 C ATOM 0 H LEU B 45 -1.593 0.221 4.751 1.00 0.13 H new ATOM 0 HA LEU B 45 -3.324 2.233 3.537 1.00 0.12 H new ATOM 0 HB2 LEU B 45 -2.375 -0.521 2.829 1.00 0.12 H new ATOM 0 HB3 LEU B 45 -3.910 0.014 2.175 1.00 0.12 H new ATOM 0 HG LEU B 45 -2.780 1.985 1.176 1.00 0.11 H new ATOM 0 HD11 LEU B 45 -0.330 2.017 1.027 1.00 0.12 H new ATOM 0 HD12 LEU B 45 -0.897 2.180 2.706 1.00 0.12 H new ATOM 0 HD13 LEU B 45 -0.249 0.625 2.133 1.00 0.12 H new ATOM 0 HD21 LEU B 45 -1.620 0.722 -0.605 1.00 0.12 H new ATOM 0 HD22 LEU B 45 -1.607 -0.720 0.438 1.00 0.12 H new ATOM 0 HD23 LEU B 45 -3.153 -0.052 -0.137 1.00 0.12 H new ATOM 1647 N LYS B 46 -5.349 1.631 4.799 1.00 0.15 N ATOM 1648 CA LYS B 46 -6.667 1.295 5.289 1.00 0.18 C ATOM 1649 C LYS B 46 -7.605 1.319 4.106 1.00 0.20 C ATOM 1650 O LYS B 46 -7.311 1.947 3.105 1.00 0.44 O ATOM 1651 CB LYS B 46 -7.106 2.314 6.342 1.00 0.30 C ATOM 1652 CG LYS B 46 -8.396 1.962 7.061 1.00 0.93 C ATOM 1653 CD LYS B 46 -8.957 3.173 7.781 1.00 1.04 C ATOM 1654 CE LYS B 46 -9.534 4.170 6.788 1.00 1.68 C ATOM 1655 NZ LYS B 46 -9.946 5.443 7.434 1.00 1.98 N ATOM 0 H LYS B 46 -5.175 2.632 4.708 1.00 0.15 H new ATOM 0 HA LYS B 46 -6.671 0.310 5.756 1.00 0.18 H new ATOM 0 HB2 LYS B 46 -6.311 2.420 7.080 1.00 0.30 H new ATOM 0 HB3 LYS B 46 -7.226 3.285 5.861 1.00 0.30 H new ATOM 0 HG2 LYS B 46 -9.127 1.588 6.344 1.00 0.93 H new ATOM 0 HG3 LYS B 46 -8.212 1.160 7.776 1.00 0.93 H new ATOM 0 HD2 LYS B 46 -9.732 2.860 8.481 1.00 1.04 H new ATOM 0 HD3 LYS B 46 -8.172 3.650 8.368 1.00 1.04 H new ATOM 0 HE2 LYS B 46 -8.793 4.381 6.017 1.00 1.68 H new ATOM 0 HE3 LYS B 46 -10.395 3.724 6.289 1.00 1.68 H new ATOM 0 HZ1 LYS B 46 -10.363 6.075 6.721 1.00 1.98 H new ATOM 0 HZ2 LYS B 46 -10.648 5.245 8.175 1.00 1.98 H new ATOM 0 HZ3 LYS B 46 -9.115 5.902 7.859 1.00 1.98 H new ATOM 1669 N LYS B 47 -8.701 0.617 4.194 1.00 0.18 N ATOM 1670 CA LYS B 47 -9.692 0.669 3.135 1.00 0.22 C ATOM 1671 C LYS B 47 -10.440 1.991 3.230 1.00 0.23 C ATOM 1672 O LYS B 47 -10.729 2.466 4.331 1.00 0.32 O ATOM 1673 CB LYS B 47 -10.656 -0.514 3.254 1.00 0.38 C ATOM 1674 CG LYS B 47 -11.581 -0.425 4.455 1.00 0.54 C ATOM 1675 CD LYS B 47 -12.424 -1.673 4.612 1.00 0.88 C ATOM 1676 CE LYS B 47 -11.628 -2.804 5.246 1.00 1.63 C ATOM 1677 NZ LYS B 47 -12.462 -4.012 5.484 1.00 2.20 N ATOM 0 H LYS B 47 -8.937 0.006 4.976 1.00 0.18 H new ATOM 0 HA LYS B 47 -9.202 0.602 2.163 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.257 -0.575 2.347 1.00 0.38 H new ATOM 0 HB3 LYS B 47 -10.080 -1.437 3.317 1.00 0.38 H new ATOM 0 HG2 LYS B 47 -10.990 -0.270 5.358 1.00 0.54 H new ATOM 0 HG3 LYS B 47 -12.233 0.442 4.348 1.00 0.54 H new ATOM 0 HD2 LYS B 47 -13.296 -1.450 5.227 1.00 0.88 H new ATOM 0 HD3 LYS B 47 -12.794 -1.989 3.637 1.00 0.88 H new ATOM 0 HE2 LYS B 47 -10.791 -3.064 4.599 1.00 1.63 H new ATOM 0 HE3 LYS B 47 -11.206 -2.464 6.192 1.00 1.63 H new ATOM 0 HZ1 LYS B 47 -12.164 -4.471 6.369 1.00 2.20 H new ATOM 0 HZ2 LYS B 47 -13.462 -3.735 5.557 1.00 2.20 H new ATOM 0 HZ3 LYS B 47 -12.344 -4.677 4.693 1.00 2.20 H new ATOM 1691 N TYR B 48 -10.718 2.607 2.094 1.00 0.23 N ATOM 1692 CA TYR B 48 -11.445 3.860 2.101 1.00 0.31 C ATOM 1693 C TYR B 48 -12.844 3.638 2.635 1.00 0.50 C ATOM 1694 O TYR B 48 -13.495 2.650 2.297 1.00 0.60 O ATOM 1695 CB TYR B 48 -11.491 4.477 0.703 1.00 0.27 C ATOM 1696 CG TYR B 48 -12.433 5.655 0.573 1.00 0.85 C ATOM 1697 CD1 TYR B 48 -12.229 6.822 1.304 1.00 1.77 C ATOM 1698 CD2 TYR B 48 -13.526 5.601 -0.280 1.00 1.70 C ATOM 1699 CE1 TYR B 48 -13.092 7.894 1.189 1.00 2.45 C ATOM 1700 CE2 TYR B 48 -14.390 6.670 -0.402 1.00 2.36 C ATOM 1701 CZ TYR B 48 -14.171 7.813 0.335 1.00 2.50 C ATOM 1702 OH TYR B 48 -15.037 8.877 0.217 1.00 3.32 O ATOM 0 H TYR B 48 -10.455 2.265 1.170 1.00 0.23 H new ATOM 0 HA TYR B 48 -10.924 4.560 2.754 1.00 0.31 H new ATOM 0 HB2 TYR B 48 -10.487 4.798 0.427 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -11.788 3.709 -0.011 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.383 6.890 1.971 1.00 1.77 H new ATOM 0 HD2 TYR B 48 -13.704 4.707 -0.859 1.00 1.70 H new ATOM 0 HE1 TYR B 48 -12.922 8.791 1.765 1.00 2.45 H new ATOM 0 HE2 TYR B 48 -15.235 6.611 -1.073 1.00 2.36 H new ATOM 0 HH TYR B 48 -15.742 8.655 -0.427 1.00 3.32 H new ATOM 1712 N LYS B 49 -13.287 4.546 3.487 1.00 0.60 N ATOM 1713 CA LYS B 49 -14.603 4.442 4.082 1.00 0.78 C ATOM 1714 C LYS B 49 -15.661 4.661 3.015 1.00 0.78 C ATOM 1715 O LYS B 49 -15.790 5.757 2.470 1.00 0.73 O ATOM 1716 CB LYS B 49 -14.765 5.466 5.202 1.00 0.90 C ATOM 1717 CG LYS B 49 -15.995 5.237 6.070 1.00 1.30 C ATOM 1718 CD LYS B 49 -15.965 3.878 6.747 1.00 1.31 C ATOM 1719 CE LYS B 49 -14.831 3.784 7.754 1.00 1.50 C ATOM 1720 NZ LYS B 49 -14.769 2.445 8.398 1.00 2.21 N ATOM 0 H LYS B 49 -12.752 5.363 3.781 1.00 0.60 H new ATOM 0 HA LYS B 49 -14.722 3.446 4.508 1.00 0.78 H new ATOM 0 HB2 LYS B 49 -13.877 5.444 5.833 1.00 0.90 H new ATOM 0 HB3 LYS B 49 -14.821 6.463 4.765 1.00 0.90 H new ATOM 0 HG2 LYS B 49 -16.056 6.019 6.827 1.00 1.30 H new ATOM 0 HG3 LYS B 49 -16.892 5.317 5.457 1.00 1.30 H new ATOM 0 HD2 LYS B 49 -16.916 3.699 7.250 1.00 1.31 H new ATOM 0 HD3 LYS B 49 -15.851 3.098 5.995 1.00 1.31 H new ATOM 0 HE2 LYS B 49 -13.884 3.991 7.255 1.00 1.50 H new ATOM 0 HE3 LYS B 49 -14.961 4.549 8.519 1.00 1.50 H new ATOM 0 HZ1 LYS B 49 -13.982 2.423 9.078 1.00 2.21 H new ATOM 0 HZ2 LYS B 49 -15.662 2.258 8.896 1.00 2.21 H new ATOM 0 HZ3 LYS B 49 -14.619 1.717 7.671 1.00 2.21 H new ATOM 1734 N PRO B 50 -16.444 3.622 2.713 1.00 0.89 N ATOM 1735 CA PRO B 50 -17.414 3.656 1.632 1.00 0.97 C ATOM 1736 C PRO B 50 -18.716 4.316 2.056 1.00 1.09 C ATOM 1737 O PRO B 50 -19.763 4.122 1.435 1.00 1.25 O ATOM 1738 CB PRO B 50 -17.616 2.180 1.329 1.00 1.04 C ATOM 1739 CG PRO B 50 -17.472 1.513 2.650 1.00 1.08 C ATOM 1740 CD PRO B 50 -16.456 2.322 3.413 1.00 0.99 C ATOM 0 HA PRO B 50 -17.079 4.239 0.774 1.00 0.97 H new ATOM 0 HB2 PRO B 50 -18.598 1.994 0.894 1.00 1.04 H new ATOM 0 HB3 PRO B 50 -16.877 1.815 0.616 1.00 1.04 H new ATOM 0 HG2 PRO B 50 -18.425 1.484 3.179 1.00 1.08 H new ATOM 0 HG3 PRO B 50 -17.141 0.481 2.532 1.00 1.08 H new ATOM 0 HD2 PRO B 50 -16.738 2.434 4.460 1.00 0.99 H new ATOM 0 HD3 PRO B 50 -15.474 1.849 3.396 1.00 0.99 H new ATOM 1748 N ASN B 51 -18.628 5.118 3.108 1.00 1.09 N ATOM 1749 CA ASN B 51 -19.776 5.821 3.636 1.00 1.23 C ATOM 1750 C ASN B 51 -20.100 7.022 2.762 1.00 1.30 C ATOM 1751 O ASN B 51 -19.457 8.070 2.853 1.00 1.38 O ATOM 1752 CB ASN B 51 -19.516 6.262 5.074 1.00 1.36 C ATOM 1753 CG ASN B 51 -20.681 7.022 5.685 1.00 1.53 C ATOM 1754 OD1 ASN B 51 -21.901 6.641 5.331 1.00 1.46 O flip ATOM 1755 ND2 ASN B 51 -20.485 7.938 6.484 1.00 2.26 N flip ATOM 0 H ASN B 51 -17.760 5.295 3.614 1.00 1.09 H new ATOM 0 HA ASN B 51 -20.632 5.146 3.634 1.00 1.23 H new ATOM 0 HB2 ASN B 51 -19.303 5.384 5.684 1.00 1.36 H new ATOM 0 HB3 ASN B 51 -18.626 6.891 5.099 1.00 1.36 H new ATOM 0 HD21 ASN B 51 -19.532 8.203 6.732 1.00 2.26 H new ATOM 0 HD22 ASN B 51 -21.276 8.432 6.898 1.00 2.26 H new ATOM 1762 N MET B 52 -21.075 6.851 1.893 1.00 1.45 N ATOM 1763 CA MET B 52 -21.504 7.918 1.014 1.00 1.69 C ATOM 1764 C MET B 52 -22.989 8.170 1.198 1.00 1.96 C ATOM 1765 O MET B 52 -23.826 7.331 0.866 1.00 2.32 O ATOM 1766 CB MET B 52 -21.173 7.592 -0.449 1.00 1.99 C ATOM 1767 CG MET B 52 -21.725 6.261 -0.941 1.00 2.40 C ATOM 1768 SD MET B 52 -21.276 5.926 -2.655 1.00 2.84 S ATOM 1769 CE MET B 52 -22.056 4.332 -2.905 1.00 3.37 C ATOM 0 H MET B 52 -21.588 5.977 1.777 1.00 1.45 H new ATOM 0 HA MET B 52 -20.962 8.827 1.275 1.00 1.69 H new ATOM 0 HB2 MET B 52 -21.563 8.389 -1.082 1.00 1.99 H new ATOM 0 HB3 MET B 52 -20.090 7.589 -0.571 1.00 1.99 H new ATOM 0 HG2 MET B 52 -21.351 5.458 -0.306 1.00 2.40 H new ATOM 0 HG3 MET B 52 -22.811 6.263 -0.846 1.00 2.40 H new ATOM 0 HE1 MET B 52 -21.868 3.990 -3.923 1.00 3.37 H new ATOM 0 HE2 MET B 52 -21.645 3.611 -2.198 1.00 3.37 H new ATOM 0 HE3 MET B 52 -23.130 4.424 -2.746 1.00 3.37 H new ATOM 1779 N THR B 53 -23.308 9.318 1.763 1.00 1.96 N ATOM 1780 CA THR B 53 -24.683 9.681 2.014 1.00 2.28 C ATOM 1781 C THR B 53 -25.258 10.456 0.834 1.00 2.56 C ATOM 1782 O THR B 53 -26.187 9.945 0.177 1.00 2.83 O ATOM 1783 CB THR B 53 -24.809 10.494 3.312 1.00 2.44 C ATOM 1784 OG1 THR B 53 -23.840 11.554 3.337 1.00 2.57 O ATOM 1785 CG2 THR B 53 -24.629 9.594 4.531 1.00 3.04 C ATOM 1786 OXT THR B 53 -24.741 11.549 0.536 1.00 2.96 O ATOM 0 H THR B 53 -22.626 10.017 2.057 1.00 1.96 H new ATOM 0 HA THR B 53 -25.259 8.763 2.135 1.00 2.28 H new ATOM 0 HB THR B 53 -25.808 10.929 3.344 1.00 2.44 H new ATOM 0 HG1 THR B 53 -23.730 11.918 2.434 1.00 2.57 H new ATOM 0 HG21 THR B 53 -24.722 10.189 5.440 1.00 3.04 H new ATOM 0 HG22 THR B 53 -25.394 8.817 4.526 1.00 3.04 H new ATOM 0 HG23 THR B 53 -23.642 9.132 4.499 1.00 3.04 H new TER 1794 THR B 53