USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ2 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -1.97 K(o=-2,f=-3.1) USER MOD Single : A 85 SER OG : rot -80:sc= -8.02! USER MOD Single : A 87 MET CE :methyl 160:sc= -0.0506 (180deg=-0.339) USER MOD Single : A 90 THR OG1 : rot 139:sc= 0.502 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 49:sc= 0.166 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -5.07! C(o=-5.1!,f=-5.2!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.0305 K(o=-0.03,f=-1.7!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0549 USER MOD Single : A 116 CYS SG : rot -134:sc= -4.01! USER MOD Single : A 121 MET CE :methyl -164:sc= 0 (180deg=-0.318) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= -0.0485 (180deg=-0.0485) USER MOD Single : A 123 MET CE :methyl -160:sc= -9.03! (180deg=-10.7!) USER MOD Single : A 124 MET CE :methyl -133:sc= -0.226 (180deg=-3.21!) USER MOD Single : A 125 ASN : amide:sc=-0.00728 K(o=-0.0073,f=-0.85) USER MOD Single : A 126 GLN : amide:sc= -1.82! C(o=-1.8!,f=-5.5!) USER MOD Single : A 131 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0381) USER MOD Single : A 132 SER OG : rot 180:sc= -0.16 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -64:sc= 0.818 USER MOD Single : A 144 GLN : amide:sc= -1.91 K(o=-1.9,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 17.316 14.598 -8.616 1.00 0.00 N ATOM 2 CA GLU A 77 17.461 13.157 -8.452 1.00 0.00 C ATOM 3 C GLU A 77 17.002 12.715 -7.067 1.00 0.00 C ATOM 4 O GLU A 77 17.793 12.673 -6.124 1.00 0.00 O ATOM 5 CB GLU A 77 18.917 12.742 -8.676 1.00 0.00 C ATOM 6 CG GLU A 77 19.150 12.030 -10.000 1.00 0.00 C ATOM 7 CD GLU A 77 20.240 10.980 -9.913 1.00 0.00 C ATOM 8 OE1 GLU A 77 21.173 11.158 -9.102 1.00 0.00 O ATOM 9 OE2 GLU A 77 20.162 9.979 -10.656 1.00 0.00 O ATOM 0 HA GLU A 77 16.831 12.668 -9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 77 19.550 13.629 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 77 19.229 12.088 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.222 11.559 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 77 19.417 12.764 -10.761 1.00 0.00 H new ATOM 16 N ILE A 78 15.719 12.386 -6.950 1.00 0.00 N ATOM 17 CA ILE A 78 15.154 11.949 -5.679 1.00 0.00 C ATOM 18 C ILE A 78 14.744 10.481 -5.737 1.00 0.00 C ATOM 19 O ILE A 78 14.144 10.032 -6.715 1.00 0.00 O ATOM 20 CB ILE A 78 13.931 12.798 -5.285 1.00 0.00 C ATOM 21 CG1 ILE A 78 13.204 12.170 -4.095 1.00 0.00 C ATOM 22 CG2 ILE A 78 12.988 12.950 -6.470 1.00 0.00 C ATOM 23 CD1 ILE A 78 12.181 11.126 -4.491 1.00 0.00 C ATOM 0 H ILE A 78 15.051 12.414 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 78 15.932 12.077 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 78 14.277 13.789 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.938 11.713 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.707 12.957 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.128 13.552 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.511 13.441 -7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.648 11.966 -6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.706 10.724 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.425 11.582 -5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.675 10.319 -5.032 1.00 0.00 H new ATOM 35 N SER A 79 15.068 9.739 -4.683 1.00 0.00 N ATOM 36 CA SER A 79 14.732 8.321 -4.614 1.00 0.00 C ATOM 37 C SER A 79 13.588 8.081 -3.634 1.00 0.00 C ATOM 38 O SER A 79 13.815 7.830 -2.451 1.00 0.00 O ATOM 39 CB SER A 79 15.955 7.504 -4.197 1.00 0.00 C ATOM 40 OG SER A 79 16.148 6.396 -5.059 1.00 0.00 O ATOM 0 H SER A 79 15.563 10.096 -3.865 1.00 0.00 H new ATOM 0 HA SER A 79 14.412 8.001 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.841 8.138 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.830 7.154 -3.172 1.00 0.00 H new ATOM 0 HG SER A 79 16.937 5.891 -4.771 1.00 0.00 H new ATOM 46 N GLY A 80 12.360 8.160 -4.135 1.00 0.00 N ATOM 47 CA GLY A 80 11.200 7.948 -3.288 1.00 0.00 C ATOM 48 C GLY A 80 9.924 8.487 -3.904 1.00 0.00 C ATOM 49 O GLY A 80 9.962 9.407 -4.722 1.00 0.00 O ATOM 0 H GLY A 80 12.147 8.367 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.084 6.881 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.365 8.429 -2.324 1.00 0.00 H new ATOM 53 N HIS A 81 8.792 7.912 -3.512 1.00 0.00 N ATOM 54 CA HIS A 81 7.496 8.340 -4.031 1.00 0.00 C ATOM 55 C HIS A 81 6.375 7.963 -3.071 1.00 0.00 C ATOM 56 O HIS A 81 6.579 7.191 -2.134 1.00 0.00 O ATOM 57 CB HIS A 81 7.241 7.712 -5.402 1.00 0.00 C ATOM 58 CG HIS A 81 7.365 6.220 -5.411 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.459 5.392 -6.041 1.00 0.00 N ATOM 60 CD2 HIS A 81 8.297 5.405 -4.860 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.828 4.134 -5.877 1.00 0.00 C ATOM 62 NE2 HIS A 81 7.940 4.115 -5.165 1.00 0.00 N ATOM 0 H HIS A 81 8.745 7.149 -2.837 1.00 0.00 H new ATOM 0 HA HIS A 81 7.513 9.425 -4.133 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.241 7.987 -5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.945 8.131 -6.121 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.633 5.702 -6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.160 5.713 -4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.308 3.268 -6.260 1.00 0.00 H new ATOM 71 N ILE A 82 5.188 8.512 -3.310 1.00 0.00 N ATOM 72 CA ILE A 82 4.032 8.233 -2.467 1.00 0.00 C ATOM 73 C ILE A 82 2.956 7.480 -3.242 1.00 0.00 C ATOM 74 O ILE A 82 2.313 8.038 -4.131 1.00 0.00 O ATOM 75 CB ILE A 82 3.426 9.529 -1.896 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.426 10.221 -0.970 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.130 9.228 -1.156 1.00 0.00 C ATOM 78 CD1 ILE A 82 5.746 10.541 -1.636 1.00 0.00 C ATOM 0 H ILE A 82 5.002 9.153 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 82 4.384 7.613 -1.643 1.00 0.00 H new ATOM 0 HB ILE A 82 3.201 10.202 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.984 11.144 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.610 9.583 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.714 10.154 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.415 8.775 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.331 8.539 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.406 11.031 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.210 9.619 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.574 11.204 -2.484 1.00 0.00 H new ATOM 90 N VAL A 83 2.765 6.210 -2.900 1.00 0.00 N ATOM 91 CA VAL A 83 1.766 5.382 -3.564 1.00 0.00 C ATOM 92 C VAL A 83 0.355 5.777 -3.143 1.00 0.00 C ATOM 93 O VAL A 83 -0.194 5.230 -2.185 1.00 0.00 O ATOM 94 CB VAL A 83 1.980 3.887 -3.257 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.072 3.028 -4.123 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.440 3.504 -3.457 1.00 0.00 C ATOM 0 H VAL A 83 3.289 5.732 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 83 1.883 5.546 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 83 1.721 3.709 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.238 1.976 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.031 3.284 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.295 3.208 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.572 2.445 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.729 3.697 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.066 4.095 -2.789 1.00 0.00 H new ATOM 106 N ARG A 84 -0.229 6.727 -3.865 1.00 0.00 N ATOM 107 CA ARG A 84 -1.577 7.194 -3.566 1.00 0.00 C ATOM 108 C ARG A 84 -2.621 6.210 -4.087 1.00 0.00 C ATOM 109 O ARG A 84 -2.377 5.486 -5.053 1.00 0.00 O ATOM 110 CB ARG A 84 -1.810 8.575 -4.181 1.00 0.00 C ATOM 111 CG ARG A 84 -1.275 8.710 -5.596 1.00 0.00 C ATOM 112 CD ARG A 84 -1.766 9.987 -6.258 1.00 0.00 C ATOM 113 NE ARG A 84 -1.325 10.090 -7.647 1.00 0.00 N ATOM 114 CZ ARG A 84 -1.711 11.057 -8.473 1.00 0.00 C ATOM 115 NH1 ARG A 84 -2.541 12.001 -8.050 1.00 0.00 N ATOM 116 NH2 ARG A 84 -1.268 11.081 -9.722 1.00 0.00 N ATOM 0 H ARG A 84 0.210 7.189 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.678 7.265 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.879 8.786 -4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.338 9.328 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.185 8.705 -5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.587 7.849 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.855 10.019 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.402 10.848 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.685 9.380 -8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.884 11.986 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.836 12.742 -8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.630 10.356 -10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.565 11.824 -10.354 1.00 0.00 H new ATOM 130 N SER A 85 -3.781 6.188 -3.443 1.00 0.00 N ATOM 131 CA SER A 85 -4.861 5.293 -3.842 1.00 0.00 C ATOM 132 C SER A 85 -5.866 6.013 -4.735 1.00 0.00 C ATOM 133 O SER A 85 -6.692 6.790 -4.258 1.00 0.00 O ATOM 134 CB SER A 85 -5.569 4.732 -2.608 1.00 0.00 C ATOM 135 OG SER A 85 -5.681 3.320 -2.682 1.00 0.00 O ATOM 0 H SER A 85 -3.999 6.780 -2.641 1.00 0.00 H new ATOM 0 HA SER A 85 -4.425 4.470 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.017 5.010 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.561 5.175 -2.521 1.00 0.00 H new ATOM 0 HG SER A 85 -6.435 3.082 -3.261 1.00 0.00 H new ATOM 141 N PRO A 86 -5.803 5.760 -6.051 1.00 0.00 N ATOM 142 CA PRO A 86 -6.709 6.382 -7.022 1.00 0.00 C ATOM 143 C PRO A 86 -8.136 5.860 -6.899 1.00 0.00 C ATOM 144 O PRO A 86 -9.086 6.637 -6.799 1.00 0.00 O ATOM 145 CB PRO A 86 -6.108 5.986 -8.372 1.00 0.00 C ATOM 146 CG PRO A 86 -5.365 4.724 -8.100 1.00 0.00 C ATOM 147 CD PRO A 86 -4.845 4.844 -6.694 1.00 0.00 C ATOM 0 HA PRO A 86 -6.787 7.459 -6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.884 5.835 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.444 6.762 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.018 3.857 -8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.547 4.592 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.816 3.877 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.831 5.244 -6.674 1.00 0.00 H new ATOM 155 N MET A 87 -8.280 4.539 -6.908 1.00 0.00 N ATOM 156 CA MET A 87 -9.592 3.911 -6.798 1.00 0.00 C ATOM 157 C MET A 87 -9.960 3.670 -5.338 1.00 0.00 C ATOM 158 O MET A 87 -9.349 2.841 -4.663 1.00 0.00 O ATOM 159 CB MET A 87 -9.614 2.589 -7.567 1.00 0.00 C ATOM 160 CG MET A 87 -10.870 2.391 -8.401 1.00 0.00 C ATOM 161 SD MET A 87 -10.663 2.938 -10.108 1.00 0.00 S ATOM 162 CE MET A 87 -9.573 1.664 -10.741 1.00 0.00 C ATOM 0 H MET A 87 -7.504 3.882 -6.990 1.00 0.00 H new ATOM 0 HA MET A 87 -10.328 4.588 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.743 2.544 -8.221 1.00 0.00 H new ATOM 0 HB3 MET A 87 -9.524 1.765 -6.859 1.00 0.00 H new ATOM 0 HG2 MET A 87 -11.145 1.336 -8.392 1.00 0.00 H new ATOM 0 HG3 MET A 87 -11.695 2.939 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.631 1.644 -11.829 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.549 1.877 -10.436 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.876 0.695 -10.344 1.00 0.00 H new ATOM 172 N VAL A 88 -10.960 4.399 -4.857 1.00 0.00 N ATOM 173 CA VAL A 88 -11.410 4.264 -3.477 1.00 0.00 C ATOM 174 C VAL A 88 -11.463 2.800 -3.057 1.00 0.00 C ATOM 175 O VAL A 88 -11.538 1.904 -3.899 1.00 0.00 O ATOM 176 CB VAL A 88 -12.801 4.896 -3.275 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.364 4.525 -1.912 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.729 6.407 -3.437 1.00 0.00 C ATOM 0 H VAL A 88 -11.475 5.090 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.686 4.791 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.473 4.503 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.346 4.980 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.455 3.441 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.695 4.887 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.720 6.836 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.042 6.820 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.373 6.649 -4.438 1.00 0.00 H new ATOM 188 N GLY A 89 -11.424 2.561 -1.750 1.00 0.00 N ATOM 189 CA GLY A 89 -11.467 1.203 -1.242 1.00 0.00 C ATOM 190 C GLY A 89 -11.126 1.125 0.234 1.00 0.00 C ATOM 191 O GLY A 89 -11.295 2.097 0.969 1.00 0.00 O ATOM 0 H GLY A 89 -11.363 3.284 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.462 0.789 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.769 0.585 -1.806 1.00 0.00 H new ATOM 195 N THR A 90 -10.646 -0.036 0.667 1.00 0.00 N ATOM 196 CA THR A 90 -10.280 -0.239 2.064 1.00 0.00 C ATOM 197 C THR A 90 -8.812 -0.631 2.192 1.00 0.00 C ATOM 198 O THR A 90 -8.372 -1.625 1.614 1.00 0.00 O ATOM 199 CB THR A 90 -11.164 -1.316 2.692 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.444 -1.332 2.086 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.366 -1.133 4.181 1.00 0.00 C ATOM 0 H THR A 90 -10.501 -0.851 0.071 1.00 0.00 H new ATOM 0 HA THR A 90 -10.432 0.701 2.593 1.00 0.00 H new ATOM 0 HB THR A 90 -10.635 -2.254 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.734 -2.259 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.003 -1.931 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.401 -1.166 4.686 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.840 -0.170 4.368 1.00 0.00 H new ATOM 209 N PHE A 91 -8.058 0.154 2.954 1.00 0.00 N ATOM 210 CA PHE A 91 -6.639 -0.112 3.159 1.00 0.00 C ATOM 211 C PHE A 91 -6.438 -1.337 4.048 1.00 0.00 C ATOM 212 O PHE A 91 -7.381 -1.822 4.671 1.00 0.00 O ATOM 213 CB PHE A 91 -5.960 1.106 3.784 1.00 0.00 C ATOM 214 CG PHE A 91 -4.567 0.832 4.267 1.00 0.00 C ATOM 215 CD1 PHE A 91 -4.352 0.258 5.515 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.469 1.146 3.474 1.00 0.00 C ATOM 217 CE1 PHE A 91 -3.066 0.004 5.963 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.182 0.894 3.917 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.980 0.322 5.162 1.00 0.00 C ATOM 0 H PHE A 91 -8.406 0.980 3.440 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.186 -0.314 2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.930 1.912 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.563 1.459 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.196 0.008 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.622 1.591 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.910 -0.441 6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.337 1.143 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.977 0.124 5.509 1.00 0.00 H new ATOM 229 N TYR A 92 -5.206 -1.833 4.108 1.00 0.00 N ATOM 230 CA TYR A 92 -4.901 -3.000 4.926 1.00 0.00 C ATOM 231 C TYR A 92 -3.393 -3.197 5.071 1.00 0.00 C ATOM 232 O TYR A 92 -2.603 -2.401 4.567 1.00 0.00 O ATOM 233 CB TYR A 92 -5.529 -4.251 4.316 1.00 0.00 C ATOM 234 CG TYR A 92 -6.951 -4.497 4.765 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.308 -4.387 6.108 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.941 -4.840 3.846 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.611 -4.613 6.523 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.247 -5.067 4.253 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.576 -4.952 5.591 1.00 0.00 C ATOM 240 OH TYR A 92 -10.871 -5.177 5.998 1.00 0.00 O ATOM 0 H TYR A 92 -4.408 -1.448 3.603 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.321 -2.831 5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.510 -4.164 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.920 -5.117 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.557 -4.121 6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.687 -4.930 2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.872 -4.525 7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.003 -5.332 3.529 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.423 -5.404 5.221 1.00 0.00 H new ATOM 250 N ARG A 93 -3.007 -4.265 5.765 1.00 0.00 N ATOM 251 CA ARG A 93 -1.595 -4.570 5.979 1.00 0.00 C ATOM 252 C ARG A 93 -1.392 -6.057 6.253 1.00 0.00 C ATOM 253 O ARG A 93 -0.375 -6.457 6.820 1.00 0.00 O ATOM 254 CB ARG A 93 -1.043 -3.751 7.147 1.00 0.00 C ATOM 255 CG ARG A 93 -1.758 -2.426 7.353 1.00 0.00 C ATOM 256 CD ARG A 93 -1.071 -1.581 8.415 1.00 0.00 C ATOM 257 NE ARG A 93 -1.589 -1.855 9.753 1.00 0.00 N ATOM 258 CZ ARG A 93 -1.016 -1.416 10.869 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.088 -0.684 10.807 1.00 0.00 N ATOM 260 NH2 ARG A 93 -1.548 -1.706 12.048 1.00 0.00 N ATOM 0 H ARG A 93 -3.651 -4.933 6.188 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.055 -4.307 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.118 -4.341 8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.017 -3.560 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.787 -1.877 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.792 -2.611 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.001 -1.775 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.208 -0.525 8.183 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.438 -2.414 9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.499 -0.457 9.902 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.526 -0.348 11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.398 -2.267 12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.107 -1.368 12.903 1.00 0.00 H new ATOM 274 N THR A 94 -2.361 -6.872 5.851 1.00 0.00 N ATOM 275 CA THR A 94 -2.279 -8.313 6.061 1.00 0.00 C ATOM 276 C THR A 94 -3.243 -9.053 5.142 1.00 0.00 C ATOM 277 O THR A 94 -4.443 -9.123 5.411 1.00 0.00 O ATOM 278 CB THR A 94 -2.584 -8.653 7.520 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.737 -7.962 7.966 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.450 -8.314 8.464 1.00 0.00 C ATOM 0 H THR A 94 -3.210 -6.561 5.379 1.00 0.00 H new ATOM 0 HA THR A 94 -1.264 -8.633 5.824 1.00 0.00 H new ATOM 0 HB THR A 94 -2.739 -9.732 7.538 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.458 -8.071 7.311 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.732 -8.581 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.559 -8.872 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.241 -7.245 8.413 1.00 0.00 H new ATOM 288 N PRO A 95 -2.727 -9.618 4.042 1.00 0.00 N ATOM 289 CA PRO A 95 -3.539 -10.358 3.076 1.00 0.00 C ATOM 290 C PRO A 95 -3.917 -11.748 3.578 1.00 0.00 C ATOM 291 O PRO A 95 -3.707 -12.746 2.889 1.00 0.00 O ATOM 292 CB PRO A 95 -2.623 -10.461 1.859 1.00 0.00 C ATOM 293 CG PRO A 95 -1.245 -10.444 2.425 1.00 0.00 C ATOM 294 CD PRO A 95 -1.304 -9.578 3.656 1.00 0.00 C ATOM 0 HA PRO A 95 -4.489 -9.863 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.810 -11.377 1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.780 -9.629 1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.915 -11.452 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.533 -10.045 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.663 -9.964 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.974 -8.560 3.446 1.00 0.00 H new ATOM 302 N SER A 96 -4.478 -11.803 4.781 1.00 0.00 N ATOM 303 CA SER A 96 -4.886 -13.070 5.376 1.00 0.00 C ATOM 304 C SER A 96 -5.225 -12.893 6.852 1.00 0.00 C ATOM 305 O SER A 96 -4.409 -12.405 7.634 1.00 0.00 O ATOM 306 CB SER A 96 -3.779 -14.114 5.217 1.00 0.00 C ATOM 307 OG SER A 96 -4.266 -15.279 4.572 1.00 0.00 O ATOM 0 H SER A 96 -4.660 -10.985 5.363 1.00 0.00 H new ATOM 0 HA SER A 96 -5.779 -13.416 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.957 -13.692 4.640 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.379 -14.377 6.196 1.00 0.00 H new ATOM 0 HG SER A 96 -3.539 -15.930 4.481 1.00 0.00 H new ATOM 313 N PRO A 97 -6.442 -13.292 7.252 1.00 0.00 N ATOM 314 CA PRO A 97 -6.896 -13.181 8.641 1.00 0.00 C ATOM 315 C PRO A 97 -5.864 -13.707 9.633 1.00 0.00 C ATOM 316 O PRO A 97 -5.884 -13.351 10.811 1.00 0.00 O ATOM 317 CB PRO A 97 -8.154 -14.050 8.663 1.00 0.00 C ATOM 318 CG PRO A 97 -8.678 -13.981 7.270 1.00 0.00 C ATOM 319 CD PRO A 97 -7.471 -13.885 6.377 1.00 0.00 C ATOM 0 HA PRO A 97 -7.067 -12.146 8.937 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.923 -15.076 8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.883 -13.675 9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.270 -14.864 7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.329 -13.116 7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.167 -14.864 6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.665 -13.260 5.505 1.00 0.00 H new ATOM 327 N ASP A 98 -4.962 -14.554 9.147 1.00 0.00 N ATOM 328 CA ASP A 98 -3.921 -15.128 9.990 1.00 0.00 C ATOM 329 C ASP A 98 -2.543 -14.934 9.362 1.00 0.00 C ATOM 330 O ASP A 98 -1.629 -15.726 9.590 1.00 0.00 O ATOM 331 CB ASP A 98 -4.184 -16.617 10.219 1.00 0.00 C ATOM 332 CG ASP A 98 -4.332 -17.384 8.920 1.00 0.00 C ATOM 333 OD1 ASP A 98 -4.071 -16.794 7.850 1.00 0.00 O ATOM 334 OD2 ASP A 98 -4.709 -18.573 8.971 1.00 0.00 O ATOM 0 H ASP A 98 -4.932 -14.858 8.174 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.940 -14.611 10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.365 -17.043 10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.090 -16.736 10.813 1.00 0.00 H new ATOM 339 N ALA A 99 -2.403 -13.875 8.571 1.00 0.00 N ATOM 340 CA ALA A 99 -1.139 -13.578 7.910 1.00 0.00 C ATOM 341 C ALA A 99 -0.173 -12.878 8.858 1.00 0.00 C ATOM 342 O ALA A 99 -0.419 -12.793 10.061 1.00 0.00 O ATOM 343 CB ALA A 99 -1.378 -12.721 6.675 1.00 0.00 C ATOM 0 H ALA A 99 -3.150 -13.209 8.373 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.688 -14.522 7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.425 -12.507 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.026 -13.256 5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.855 -11.786 6.968 1.00 0.00 H new ATOM 349 N LYS A 100 0.930 -12.379 8.307 1.00 0.00 N ATOM 350 CA LYS A 100 1.935 -11.685 9.102 1.00 0.00 C ATOM 351 C LYS A 100 1.719 -10.176 9.054 1.00 0.00 C ATOM 352 O LYS A 100 1.065 -9.604 9.927 1.00 0.00 O ATOM 353 CB LYS A 100 3.339 -12.028 8.599 1.00 0.00 C ATOM 354 CG LYS A 100 3.894 -13.319 9.176 1.00 0.00 C ATOM 355 CD LYS A 100 5.396 -13.422 8.968 1.00 0.00 C ATOM 356 CE LYS A 100 6.141 -13.451 10.292 1.00 0.00 C ATOM 357 NZ LYS A 100 6.463 -14.841 10.719 1.00 0.00 N ATOM 0 H LYS A 100 1.149 -12.443 7.313 1.00 0.00 H new ATOM 0 HA LYS A 100 1.837 -12.015 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.317 -12.106 7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.015 -11.209 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.669 -13.369 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.401 -14.170 8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.625 -14.324 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.741 -12.576 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.063 -12.876 10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.537 -12.967 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.971 -14.817 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.582 -15.383 10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.061 -15.295 10.000 1.00 0.00 H new ATOM 371 N ALA A 101 2.274 -9.537 8.031 1.00 0.00 N ATOM 372 CA ALA A 101 2.143 -8.094 7.868 1.00 0.00 C ATOM 373 C ALA A 101 2.683 -7.640 6.518 1.00 0.00 C ATOM 374 O ALA A 101 3.838 -7.901 6.180 1.00 0.00 O ATOM 375 CB ALA A 101 2.862 -7.371 8.996 1.00 0.00 C ATOM 0 H ALA A 101 2.819 -9.996 7.301 1.00 0.00 H new ATOM 0 HA ALA A 101 1.083 -7.844 7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.757 -6.294 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.426 -7.663 9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.919 -7.637 8.983 1.00 0.00 H new ATOM 381 N PHE A 102 1.841 -6.958 5.749 1.00 0.00 N ATOM 382 CA PHE A 102 2.233 -6.466 4.433 1.00 0.00 C ATOM 383 C PHE A 102 3.486 -5.602 4.527 1.00 0.00 C ATOM 384 O PHE A 102 4.160 -5.581 5.556 1.00 0.00 O ATOM 385 CB PHE A 102 1.089 -5.665 3.806 1.00 0.00 C ATOM 386 CG PHE A 102 0.315 -6.435 2.773 1.00 0.00 C ATOM 387 CD1 PHE A 102 0.972 -7.260 1.867 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.069 -6.332 2.707 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.260 -7.971 0.912 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.787 -7.040 1.754 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.121 -7.859 0.856 1.00 0.00 C ATOM 0 H PHE A 102 0.882 -6.733 6.014 1.00 0.00 H new ATOM 0 HA PHE A 102 2.455 -7.325 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.408 -5.342 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.496 -4.764 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.048 -7.348 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.591 -5.694 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.780 -8.610 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.863 -6.953 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.678 -8.410 0.112 1.00 0.00 H new ATOM 401 N ILE A 103 3.795 -4.890 3.447 1.00 0.00 N ATOM 402 CA ILE A 103 4.968 -4.026 3.414 1.00 0.00 C ATOM 403 C ILE A 103 4.816 -2.856 4.380 1.00 0.00 C ATOM 404 O ILE A 103 4.525 -1.732 3.971 1.00 0.00 O ATOM 405 CB ILE A 103 5.225 -3.476 1.997 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.441 -4.625 1.011 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.424 -2.540 2.001 1.00 0.00 C ATOM 408 CD1 ILE A 103 6.604 -5.522 1.374 1.00 0.00 C ATOM 0 H ILE A 103 3.250 -4.895 2.585 1.00 0.00 H new ATOM 0 HA ILE A 103 5.818 -4.638 3.717 1.00 0.00 H new ATOM 0 HB ILE A 103 4.349 -2.910 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.532 -5.225 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.607 -4.213 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.592 -2.160 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.232 -1.706 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.308 -3.082 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.698 -6.314 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 103 7.522 -4.936 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 103 6.431 -5.963 2.355 1.00 0.00 H new ATOM 420 N GLU A 104 5.013 -3.129 5.666 1.00 0.00 N ATOM 421 CA GLU A 104 4.897 -2.100 6.694 1.00 0.00 C ATOM 422 C GLU A 104 6.032 -1.087 6.582 1.00 0.00 C ATOM 423 O GLU A 104 6.887 -1.192 5.704 1.00 0.00 O ATOM 424 CB GLU A 104 4.902 -2.738 8.083 1.00 0.00 C ATOM 425 CG GLU A 104 3.578 -2.606 8.817 1.00 0.00 C ATOM 426 CD GLU A 104 3.585 -1.483 9.836 1.00 0.00 C ATOM 427 OE1 GLU A 104 4.670 -1.179 10.376 1.00 0.00 O ATOM 428 OE2 GLU A 104 2.507 -0.907 10.093 1.00 0.00 O ATOM 0 H GLU A 104 5.254 -4.054 6.021 1.00 0.00 H new ATOM 0 HA GLU A 104 3.953 -1.576 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.151 -3.795 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.688 -2.278 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.782 -2.430 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.350 -3.546 9.319 1.00 0.00 H new ATOM 435 N VAL A 105 6.031 -0.107 7.480 1.00 0.00 N ATOM 436 CA VAL A 105 7.060 0.927 7.483 1.00 0.00 C ATOM 437 C VAL A 105 8.416 0.354 7.882 1.00 0.00 C ATOM 438 O VAL A 105 8.507 -0.481 8.782 1.00 0.00 O ATOM 439 CB VAL A 105 6.702 2.076 8.444 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.528 3.313 8.129 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.215 2.386 8.376 1.00 0.00 C ATOM 0 H VAL A 105 5.330 -0.007 8.214 1.00 0.00 H new ATOM 0 HA VAL A 105 7.116 1.316 6.466 1.00 0.00 H new ATOM 0 HB VAL A 105 6.937 1.761 9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.261 4.114 8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.587 3.080 8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.329 3.633 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.981 3.200 9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.951 2.680 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.645 1.500 8.657 1.00 0.00 H new ATOM 451 N GLY A 106 9.466 0.808 7.207 1.00 0.00 N ATOM 452 CA GLY A 106 10.803 0.329 7.507 1.00 0.00 C ATOM 453 C GLY A 106 11.151 -0.937 6.748 1.00 0.00 C ATOM 454 O GLY A 106 12.326 -1.237 6.535 1.00 0.00 O ATOM 0 H GLY A 106 9.416 1.499 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.527 1.106 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.886 0.141 8.577 1.00 0.00 H new ATOM 458 N GLN A 107 10.129 -1.682 6.340 1.00 0.00 N ATOM 459 CA GLN A 107 10.333 -2.921 5.602 1.00 0.00 C ATOM 460 C GLN A 107 10.929 -2.640 4.226 1.00 0.00 C ATOM 461 O GLN A 107 10.966 -1.494 3.778 1.00 0.00 O ATOM 462 CB GLN A 107 9.008 -3.674 5.456 1.00 0.00 C ATOM 463 CG GLN A 107 9.100 -4.902 4.564 1.00 0.00 C ATOM 464 CD GLN A 107 7.863 -5.775 4.647 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.013 -5.584 5.516 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.759 -6.739 3.741 1.00 0.00 N ATOM 0 H GLN A 107 9.151 -1.448 6.509 1.00 0.00 H new ATOM 0 HA GLN A 107 11.034 -3.540 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.662 -3.978 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.257 -2.996 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.249 -4.586 3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.974 -5.488 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.489 -6.860 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.949 -7.359 3.747 1.00 0.00 H new ATOM 475 N LYS A 108 11.396 -3.691 3.558 1.00 0.00 N ATOM 476 CA LYS A 108 11.990 -3.551 2.233 1.00 0.00 C ATOM 477 C LYS A 108 10.996 -3.943 1.145 1.00 0.00 C ATOM 478 O LYS A 108 10.041 -4.678 1.397 1.00 0.00 O ATOM 479 CB LYS A 108 13.249 -4.413 2.123 1.00 0.00 C ATOM 480 CG LYS A 108 13.165 -5.714 2.903 1.00 0.00 C ATOM 481 CD LYS A 108 13.716 -5.556 4.311 1.00 0.00 C ATOM 482 CE LYS A 108 14.960 -6.404 4.520 1.00 0.00 C ATOM 483 NZ LYS A 108 16.184 -5.732 4.005 1.00 0.00 N ATOM 0 H LYS A 108 11.374 -4.647 3.912 1.00 0.00 H new ATOM 0 HA LYS A 108 12.260 -2.504 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.433 -4.640 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.104 -3.839 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.127 -6.044 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.722 -6.491 2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.953 -4.508 4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.953 -5.842 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.081 -6.614 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.834 -7.363 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.010 -6.343 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.079 -5.554 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.319 -4.829 4.502 1.00 0.00 H new ATOM 497 N VAL A 109 11.227 -3.445 -0.064 1.00 0.00 N ATOM 498 CA VAL A 109 10.352 -3.741 -1.193 1.00 0.00 C ATOM 499 C VAL A 109 11.116 -3.672 -2.512 1.00 0.00 C ATOM 500 O VAL A 109 11.415 -2.588 -3.012 1.00 0.00 O ATOM 501 CB VAL A 109 9.155 -2.771 -1.256 1.00 0.00 C ATOM 502 CG1 VAL A 109 7.870 -3.482 -0.863 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.393 -1.557 -0.368 1.00 0.00 C ATOM 0 H VAL A 109 12.013 -2.834 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 109 9.978 -4.753 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 109 9.053 -2.422 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.036 -2.781 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.689 -4.311 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.962 -3.864 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.535 -0.888 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.527 -1.882 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.288 -1.032 -0.702 1.00 0.00 H new ATOM 513 N ASN A 110 11.427 -4.837 -3.071 1.00 0.00 N ATOM 514 CA ASN A 110 12.156 -4.908 -4.332 1.00 0.00 C ATOM 515 C ASN A 110 11.205 -5.164 -5.497 1.00 0.00 C ATOM 516 O ASN A 110 10.249 -5.930 -5.375 1.00 0.00 O ATOM 517 CB ASN A 110 13.213 -6.013 -4.272 1.00 0.00 C ATOM 518 CG ASN A 110 12.618 -7.394 -4.458 1.00 0.00 C ATOM 519 OD1 ASN A 110 11.720 -7.801 -3.722 1.00 0.00 O ATOM 520 ND2 ASN A 110 13.117 -8.125 -5.449 1.00 0.00 N ATOM 0 H ASN A 110 11.186 -5.744 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 110 12.649 -3.949 -4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 110 13.963 -5.837 -5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.727 -5.968 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 110 12.755 -9.063 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.862 -7.748 -6.036 1.00 0.00 H new ATOM 527 N VAL A 111 11.475 -4.519 -6.627 1.00 0.00 N ATOM 528 CA VAL A 111 10.643 -4.678 -7.814 1.00 0.00 C ATOM 529 C VAL A 111 10.189 -6.124 -7.977 1.00 0.00 C ATOM 530 O VAL A 111 10.971 -6.990 -8.369 1.00 0.00 O ATOM 531 CB VAL A 111 11.392 -4.240 -9.087 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.606 -4.628 -10.330 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.658 -2.742 -9.062 1.00 0.00 C ATOM 0 H VAL A 111 12.263 -3.882 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 111 9.770 -4.039 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 111 12.352 -4.756 -9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.151 -4.310 -11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.473 -5.710 -10.353 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.630 -4.143 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.188 -2.451 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.711 -2.205 -9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.266 -2.495 -8.192 1.00 0.00 H new ATOM 543 N GLY A 112 8.921 -6.377 -7.673 1.00 0.00 N ATOM 544 CA GLY A 112 8.384 -7.720 -7.790 1.00 0.00 C ATOM 545 C GLY A 112 7.776 -8.217 -6.494 1.00 0.00 C ATOM 546 O GLY A 112 7.382 -9.379 -6.390 1.00 0.00 O ATOM 0 H GLY A 112 8.255 -5.676 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.626 -7.738 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.178 -8.400 -8.099 1.00 0.00 H new ATOM 550 N ASP A 113 7.701 -7.335 -5.502 1.00 0.00 N ATOM 551 CA ASP A 113 7.138 -7.689 -4.205 1.00 0.00 C ATOM 552 C ASP A 113 5.749 -7.085 -4.029 1.00 0.00 C ATOM 553 O ASP A 113 5.367 -6.161 -4.746 1.00 0.00 O ATOM 554 CB ASP A 113 8.059 -7.217 -3.080 1.00 0.00 C ATOM 555 CG ASP A 113 8.691 -8.371 -2.328 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.226 -9.518 -2.499 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.652 -8.129 -1.568 1.00 0.00 O ATOM 0 H ASP A 113 8.023 -6.370 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 113 7.049 -8.774 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.844 -6.586 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.491 -6.601 -2.383 1.00 0.00 H new ATOM 562 N THR A 114 4.997 -7.613 -3.068 1.00 0.00 N ATOM 563 CA THR A 114 3.650 -7.125 -2.797 1.00 0.00 C ATOM 564 C THR A 114 3.693 -5.815 -2.017 1.00 0.00 C ATOM 565 O THR A 114 4.763 -5.344 -1.633 1.00 0.00 O ATOM 566 CB THR A 114 2.855 -8.172 -2.016 1.00 0.00 C ATOM 567 OG1 THR A 114 3.441 -9.453 -2.155 1.00 0.00 O ATOM 568 CG2 THR A 114 1.410 -8.278 -2.457 1.00 0.00 C ATOM 0 H THR A 114 5.298 -8.378 -2.465 1.00 0.00 H new ATOM 0 HA THR A 114 3.157 -6.942 -3.752 1.00 0.00 H new ATOM 0 HB THR A 114 2.878 -7.838 -0.979 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.919 -10.108 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.903 -9.038 -1.863 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.915 -7.317 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.370 -8.555 -3.511 1.00 0.00 H new ATOM 576 N LEU A 115 2.521 -5.233 -1.786 1.00 0.00 N ATOM 577 CA LEU A 115 2.422 -3.978 -1.052 1.00 0.00 C ATOM 578 C LEU A 115 1.248 -4.008 -0.079 1.00 0.00 C ATOM 579 O LEU A 115 1.436 -4.004 1.137 1.00 0.00 O ATOM 580 CB LEU A 115 2.266 -2.804 -2.021 1.00 0.00 C ATOM 581 CG LEU A 115 2.607 -1.433 -1.435 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.944 -0.943 -1.967 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.506 -0.432 -1.752 1.00 0.00 C ATOM 0 H LEU A 115 1.626 -5.611 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 115 3.341 -3.848 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.903 -2.981 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.237 -2.783 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 115 2.684 -1.530 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.170 0.034 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.727 -1.650 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.896 -0.861 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.764 0.539 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.399 -0.339 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.566 -0.777 -1.323 1.00 0.00 H new ATOM 595 N CYS A 116 0.035 -4.037 -0.624 1.00 0.00 N ATOM 596 CA CYS A 116 -1.170 -4.067 0.201 1.00 0.00 C ATOM 597 C CYS A 116 -2.427 -4.157 -0.659 1.00 0.00 C ATOM 598 O CYS A 116 -2.434 -3.727 -1.813 1.00 0.00 O ATOM 599 CB CYS A 116 -1.233 -2.824 1.088 1.00 0.00 C ATOM 600 SG CYS A 116 -0.579 -3.072 2.755 1.00 0.00 S ATOM 0 H CYS A 116 -0.140 -4.040 -1.629 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.124 -4.956 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.677 -2.019 0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -2.270 -2.495 1.161 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.397 -2.555 3.623 1.00 0.00 H new ATOM 606 N ILE A 117 -3.490 -4.716 -0.086 1.00 0.00 N ATOM 607 CA ILE A 117 -4.756 -4.863 -0.796 1.00 0.00 C ATOM 608 C ILE A 117 -5.660 -3.655 -0.571 1.00 0.00 C ATOM 609 O ILE A 117 -5.517 -2.933 0.415 1.00 0.00 O ATOM 610 CB ILE A 117 -5.505 -6.140 -0.358 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.780 -7.384 -0.869 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.939 -6.120 -0.866 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.765 -8.525 0.124 1.00 0.00 C ATOM 0 H ILE A 117 -3.499 -5.075 0.869 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.514 -4.939 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.525 -6.170 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.257 -7.720 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.753 -7.119 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.451 -7.028 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.457 -5.251 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.939 -6.067 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.234 -9.374 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.261 -8.206 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.789 -8.818 0.358 1.00 0.00 H new ATOM 625 N VAL A 118 -6.596 -3.450 -1.493 1.00 0.00 N ATOM 626 CA VAL A 118 -7.532 -2.337 -1.402 1.00 0.00 C ATOM 627 C VAL A 118 -8.944 -2.838 -1.124 1.00 0.00 C ATOM 628 O VAL A 118 -9.787 -2.103 -0.609 1.00 0.00 O ATOM 629 CB VAL A 118 -7.542 -1.505 -2.697 1.00 0.00 C ATOM 630 CG1 VAL A 118 -8.422 -0.275 -2.536 1.00 0.00 C ATOM 631 CG2 VAL A 118 -6.126 -1.111 -3.091 1.00 0.00 C ATOM 0 H VAL A 118 -6.726 -4.042 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.200 -1.706 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.958 -2.117 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.416 0.300 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.442 -0.585 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.040 0.342 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.154 -0.523 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.678 -0.518 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.530 -2.009 -3.253 1.00 0.00 H new ATOM 641 N GLU A 119 -9.194 -4.096 -1.470 1.00 0.00 N ATOM 642 CA GLU A 119 -10.503 -4.705 -1.262 1.00 0.00 C ATOM 643 C GLU A 119 -11.619 -3.694 -1.503 1.00 0.00 C ATOM 644 O GLU A 119 -12.485 -3.495 -0.651 1.00 0.00 O ATOM 645 CB GLU A 119 -10.607 -5.269 0.157 1.00 0.00 C ATOM 646 CG GLU A 119 -11.943 -5.929 0.454 1.00 0.00 C ATOM 647 CD GLU A 119 -12.553 -5.451 1.757 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.923 -4.260 1.837 1.00 0.00 O ATOM 649 OE2 GLU A 119 -12.658 -6.266 2.698 1.00 0.00 O ATOM 0 H GLU A 119 -8.505 -4.716 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.615 -5.519 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.810 -5.997 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.443 -4.463 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.635 -5.724 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.809 -7.010 0.495 1.00 0.00 H new ATOM 656 N ALA A 120 -11.595 -3.062 -2.672 1.00 0.00 N ATOM 657 CA ALA A 120 -12.607 -2.074 -3.026 1.00 0.00 C ATOM 658 C ALA A 120 -13.863 -2.744 -3.578 1.00 0.00 C ATOM 659 O ALA A 120 -14.835 -2.073 -3.924 1.00 0.00 O ATOM 660 CB ALA A 120 -12.048 -1.084 -4.036 1.00 0.00 C ATOM 0 H ALA A 120 -10.887 -3.216 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.884 -1.535 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.815 -0.352 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.187 -0.572 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.741 -1.617 -4.936 1.00 0.00 H new ATOM 666 N MET A 121 -13.835 -4.071 -3.657 1.00 0.00 N ATOM 667 CA MET A 121 -14.971 -4.830 -4.167 1.00 0.00 C ATOM 668 C MET A 121 -14.658 -6.322 -4.193 1.00 0.00 C ATOM 669 O MET A 121 -14.971 -7.016 -5.160 1.00 0.00 O ATOM 670 CB MET A 121 -15.344 -4.350 -5.572 1.00 0.00 C ATOM 671 CG MET A 121 -14.358 -4.784 -6.645 1.00 0.00 C ATOM 672 SD MET A 121 -15.173 -5.281 -8.175 1.00 0.00 S ATOM 673 CE MET A 121 -13.772 -5.382 -9.286 1.00 0.00 C ATOM 0 H MET A 121 -13.039 -4.642 -3.375 1.00 0.00 H new ATOM 0 HA MET A 121 -15.816 -4.665 -3.499 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.334 -4.729 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.410 -3.262 -5.570 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.670 -3.965 -6.854 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.760 -5.615 -6.270 1.00 0.00 H new ATOM 0 HE1 MET A 121 -14.126 -5.397 -10.317 1.00 0.00 H new ATOM 0 HE2 MET A 121 -13.126 -4.517 -9.136 1.00 0.00 H new ATOM 0 HE3 MET A 121 -13.211 -6.294 -9.082 1.00 0.00 H new ATOM 683 N LYS A 122 -14.037 -6.809 -3.123 1.00 0.00 N ATOM 684 CA LYS A 122 -13.679 -8.218 -3.023 1.00 0.00 C ATOM 685 C LYS A 122 -12.741 -8.622 -4.156 1.00 0.00 C ATOM 686 O LYS A 122 -12.632 -9.800 -4.495 1.00 0.00 O ATOM 687 CB LYS A 122 -14.937 -9.090 -3.052 1.00 0.00 C ATOM 688 CG LYS A 122 -14.699 -10.518 -2.588 1.00 0.00 C ATOM 689 CD LYS A 122 -13.751 -10.568 -1.401 1.00 0.00 C ATOM 690 CE LYS A 122 -14.269 -9.738 -0.239 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.749 -10.206 1.043 1.00 0.00 N ATOM 0 H LYS A 122 -13.772 -6.248 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.162 -8.369 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.700 -8.634 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.333 -9.108 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.650 -10.976 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.287 -11.104 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.621 -11.602 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.770 -10.202 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.988 -8.695 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.358 -9.776 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.127 -9.612 1.809 1.00 0.00 H new ATOM 702 N MET A 123 -12.068 -7.635 -4.738 1.00 0.00 N ATOM 703 CA MET A 123 -11.140 -7.887 -5.835 1.00 0.00 C ATOM 704 C MET A 123 -9.726 -8.121 -5.311 1.00 0.00 C ATOM 705 O MET A 123 -8.879 -8.676 -6.011 1.00 0.00 O ATOM 706 CB MET A 123 -11.146 -6.714 -6.817 1.00 0.00 C ATOM 707 CG MET A 123 -10.322 -5.524 -6.352 1.00 0.00 C ATOM 708 SD MET A 123 -11.113 -3.946 -6.721 1.00 0.00 S ATOM 709 CE MET A 123 -9.898 -2.798 -6.079 1.00 0.00 C ATOM 0 H MET A 123 -12.147 -6.654 -4.469 1.00 0.00 H new ATOM 0 HA MET A 123 -11.468 -8.787 -6.354 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.764 -7.055 -7.779 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.175 -6.392 -6.978 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.155 -5.600 -5.278 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.343 -5.556 -6.830 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.369 -1.831 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.495 -3.181 -5.141 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.089 -2.683 -6.801 1.00 0.00 H new ATOM 719 N MET A 124 -9.479 -7.696 -4.076 1.00 0.00 N ATOM 720 CA MET A 124 -8.169 -7.859 -3.461 1.00 0.00 C ATOM 721 C MET A 124 -7.096 -7.140 -4.269 1.00 0.00 C ATOM 722 O MET A 124 -5.969 -7.623 -4.393 1.00 0.00 O ATOM 723 CB MET A 124 -7.823 -9.344 -3.335 1.00 0.00 C ATOM 724 CG MET A 124 -9.034 -10.231 -3.094 1.00 0.00 C ATOM 725 SD MET A 124 -8.941 -11.126 -1.531 1.00 0.00 S ATOM 726 CE MET A 124 -10.104 -10.195 -0.538 1.00 0.00 C ATOM 0 H MET A 124 -10.170 -7.236 -3.483 1.00 0.00 H new ATOM 0 HA MET A 124 -8.204 -7.417 -2.465 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.319 -9.670 -4.245 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.117 -9.476 -2.515 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.936 -9.619 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.125 -10.945 -3.912 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.660 -9.977 0.434 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.347 -9.260 -1.043 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.013 -10.780 -0.399 1.00 0.00 H new ATOM 736 N ASN A 125 -7.450 -5.982 -4.814 1.00 0.00 N ATOM 737 CA ASN A 125 -6.514 -5.195 -5.607 1.00 0.00 C ATOM 738 C ASN A 125 -5.255 -4.895 -4.802 1.00 0.00 C ATOM 739 O ASN A 125 -5.119 -3.821 -4.216 1.00 0.00 O ATOM 740 CB ASN A 125 -7.167 -3.888 -6.063 1.00 0.00 C ATOM 741 CG ASN A 125 -6.237 -3.044 -6.915 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.311 -3.560 -7.539 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.482 -1.740 -6.942 1.00 0.00 N ATOM 0 H ASN A 125 -8.377 -5.568 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.238 -5.776 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.070 -4.115 -6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.475 -3.315 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -5.890 -1.121 -7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.262 -1.356 -6.408 1.00 0.00 H new ATOM 750 N GLN A 126 -4.340 -5.858 -4.771 1.00 0.00 N ATOM 751 CA GLN A 126 -3.095 -5.706 -4.031 1.00 0.00 C ATOM 752 C GLN A 126 -2.010 -5.074 -4.895 1.00 0.00 C ATOM 753 O GLN A 126 -1.748 -5.523 -6.011 1.00 0.00 O ATOM 754 CB GLN A 126 -2.625 -7.063 -3.507 1.00 0.00 C ATOM 755 CG GLN A 126 -2.292 -8.059 -4.604 1.00 0.00 C ATOM 756 CD GLN A 126 -3.375 -9.102 -4.794 1.00 0.00 C ATOM 757 OE1 GLN A 126 -4.345 -8.883 -5.521 1.00 0.00 O ATOM 758 NE2 GLN A 126 -3.217 -10.246 -4.138 1.00 0.00 N ATOM 0 H GLN A 126 -4.438 -6.753 -5.251 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.284 -5.041 -3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.744 -6.916 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.401 -7.485 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.140 -7.524 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.352 -8.556 -4.365 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -2.398 -10.386 -3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.915 -10.985 -4.226 1.00 0.00 H new ATOM 767 N ILE A 127 -1.379 -4.030 -4.368 1.00 0.00 N ATOM 768 CA ILE A 127 -0.318 -3.334 -5.084 1.00 0.00 C ATOM 769 C ILE A 127 1.026 -4.014 -4.855 1.00 0.00 C ATOM 770 O ILE A 127 1.324 -4.459 -3.747 1.00 0.00 O ATOM 771 CB ILE A 127 -0.215 -1.861 -4.647 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.603 -1.221 -4.596 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.695 -1.090 -5.592 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.424 -1.461 -5.844 1.00 0.00 C ATOM 0 H ILE A 127 -1.585 -3.647 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.571 -3.371 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 127 0.217 -1.825 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.144 -1.612 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.494 -0.147 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.757 -0.051 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.691 -1.534 -5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.290 -1.133 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.396 -0.979 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.904 -1.045 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.564 -2.532 -5.987 1.00 0.00 H new ATOM 786 N GLU A 128 1.833 -4.090 -5.909 1.00 0.00 N ATOM 787 CA GLU A 128 3.146 -4.717 -5.823 1.00 0.00 C ATOM 788 C GLU A 128 4.250 -3.709 -6.128 1.00 0.00 C ATOM 789 O GLU A 128 4.386 -3.246 -7.260 1.00 0.00 O ATOM 790 CB GLU A 128 3.236 -5.898 -6.791 1.00 0.00 C ATOM 791 CG GLU A 128 2.446 -7.116 -6.341 1.00 0.00 C ATOM 792 CD GLU A 128 1.477 -7.605 -7.400 1.00 0.00 C ATOM 793 OE1 GLU A 128 1.321 -6.912 -8.428 1.00 0.00 O ATOM 794 OE2 GLU A 128 0.876 -8.681 -7.203 1.00 0.00 O ATOM 0 H GLU A 128 1.600 -3.725 -6.832 1.00 0.00 H new ATOM 0 HA GLU A 128 3.281 -5.081 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.875 -5.583 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.282 -6.179 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.137 -7.920 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.894 -6.872 -5.433 1.00 0.00 H new ATOM 801 N ALA A 129 5.037 -3.375 -5.111 1.00 0.00 N ATOM 802 CA ALA A 129 6.129 -2.423 -5.270 1.00 0.00 C ATOM 803 C ALA A 129 6.890 -2.673 -6.566 1.00 0.00 C ATOM 804 O ALA A 129 7.118 -3.820 -6.953 1.00 0.00 O ATOM 805 CB ALA A 129 7.073 -2.498 -4.079 1.00 0.00 C ATOM 0 H ALA A 129 4.939 -3.750 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 129 5.701 -1.422 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.884 -1.781 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.526 -2.262 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.486 -3.504 -4.005 1.00 0.00 H new ATOM 811 N ASP A 130 7.282 -1.593 -7.234 1.00 0.00 N ATOM 812 CA ASP A 130 8.019 -1.696 -8.489 1.00 0.00 C ATOM 813 C ASP A 130 8.998 -0.537 -8.642 1.00 0.00 C ATOM 814 O ASP A 130 9.293 -0.103 -9.755 1.00 0.00 O ATOM 815 CB ASP A 130 7.051 -1.720 -9.672 1.00 0.00 C ATOM 816 CG ASP A 130 6.237 -0.445 -9.780 1.00 0.00 C ATOM 817 OD1 ASP A 130 6.348 0.408 -8.874 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.490 -0.300 -10.770 1.00 0.00 O ATOM 0 H ASP A 130 7.102 -0.637 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 130 8.586 -2.627 -8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.613 -1.868 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 130 6.377 -2.570 -9.569 1.00 0.00 H new ATOM 823 N LYS A 131 9.499 -0.040 -7.514 1.00 0.00 N ATOM 824 CA LYS A 131 10.446 1.069 -7.522 1.00 0.00 C ATOM 825 C LYS A 131 11.759 0.670 -6.856 1.00 0.00 C ATOM 826 O LYS A 131 12.752 1.394 -6.936 1.00 0.00 O ATOM 827 CB LYS A 131 9.847 2.283 -6.811 1.00 0.00 C ATOM 828 CG LYS A 131 10.046 3.590 -7.561 1.00 0.00 C ATOM 829 CD LYS A 131 11.371 4.243 -7.202 1.00 0.00 C ATOM 830 CE LYS A 131 12.356 4.176 -8.359 1.00 0.00 C ATOM 831 NZ LYS A 131 11.964 5.080 -9.475 1.00 0.00 N ATOM 0 H LYS A 131 9.265 -0.388 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 131 10.652 1.330 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.780 2.117 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.295 2.371 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.010 3.404 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.228 4.272 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.202 5.284 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 131 11.798 3.747 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.351 4.447 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.416 3.151 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.752 5.162 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.132 4.690 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.734 6.021 -9.095 1.00 0.00 H new ATOM 845 N SER A 132 11.758 -0.486 -6.199 1.00 0.00 N ATOM 846 CA SER A 132 12.950 -0.980 -5.519 1.00 0.00 C ATOM 847 C SER A 132 13.465 0.042 -4.512 1.00 0.00 C ATOM 848 O SER A 132 14.278 0.903 -4.847 1.00 0.00 O ATOM 849 CB SER A 132 14.044 -1.307 -6.537 1.00 0.00 C ATOM 850 OG SER A 132 14.157 -2.706 -6.732 1.00 0.00 O ATOM 0 H SER A 132 10.945 -1.098 -6.123 1.00 0.00 H new ATOM 0 HA SER A 132 12.681 -1.889 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.819 -0.821 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 132 14.997 -0.906 -6.192 1.00 0.00 H new ATOM 0 HG SER A 132 14.862 -2.889 -7.388 1.00 0.00 H new ATOM 856 N GLY A 133 12.986 -0.059 -3.276 1.00 0.00 N ATOM 857 CA GLY A 133 13.409 0.862 -2.239 1.00 0.00 C ATOM 858 C GLY A 133 12.891 0.470 -0.868 1.00 0.00 C ATOM 859 O GLY A 133 12.619 -0.703 -0.614 1.00 0.00 O ATOM 0 H GLY A 133 12.312 -0.763 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.498 0.902 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.059 1.865 -2.483 1.00 0.00 H new ATOM 863 N THR A 134 12.756 1.454 0.015 1.00 0.00 N ATOM 864 CA THR A 134 12.267 1.205 1.366 1.00 0.00 C ATOM 865 C THR A 134 11.062 2.087 1.678 1.00 0.00 C ATOM 866 O THR A 134 11.032 3.264 1.318 1.00 0.00 O ATOM 867 CB THR A 134 13.377 1.456 2.387 1.00 0.00 C ATOM 868 OG1 THR A 134 14.313 0.393 2.383 1.00 0.00 O ATOM 869 CG2 THR A 134 12.865 1.612 3.803 1.00 0.00 C ATOM 0 H THR A 134 12.978 2.430 -0.180 1.00 0.00 H new ATOM 0 HA THR A 134 11.957 0.162 1.428 1.00 0.00 H new ATOM 0 HB THR A 134 13.843 2.393 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.016 0.574 3.042 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.704 1.788 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.179 2.457 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.343 0.703 4.103 1.00 0.00 H new ATOM 877 N VAL A 135 10.072 1.509 2.350 1.00 0.00 N ATOM 878 CA VAL A 135 8.865 2.243 2.711 1.00 0.00 C ATOM 879 C VAL A 135 9.149 3.260 3.812 1.00 0.00 C ATOM 880 O VAL A 135 9.778 2.939 4.819 1.00 0.00 O ATOM 881 CB VAL A 135 7.750 1.292 3.182 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.560 2.079 3.708 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.329 0.364 2.053 1.00 0.00 C ATOM 0 H VAL A 135 10.082 0.536 2.655 1.00 0.00 H new ATOM 0 HA VAL A 135 8.532 2.766 1.814 1.00 0.00 H new ATOM 0 HB VAL A 135 8.139 0.682 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.783 1.388 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.875 2.696 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.167 2.717 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.540 -0.301 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.959 0.955 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.185 -0.228 1.730 1.00 0.00 H new ATOM 893 N LYS A 136 8.680 4.488 3.611 1.00 0.00 N ATOM 894 CA LYS A 136 8.884 5.552 4.587 1.00 0.00 C ATOM 895 C LYS A 136 7.804 5.518 5.663 1.00 0.00 C ATOM 896 O LYS A 136 8.099 5.607 6.855 1.00 0.00 O ATOM 897 CB LYS A 136 8.889 6.915 3.893 1.00 0.00 C ATOM 898 CG LYS A 136 9.988 7.843 4.384 1.00 0.00 C ATOM 899 CD LYS A 136 9.632 8.466 5.724 1.00 0.00 C ATOM 900 CE LYS A 136 10.865 8.668 6.590 1.00 0.00 C ATOM 901 NZ LYS A 136 10.586 8.391 8.027 1.00 0.00 N ATOM 0 H LYS A 136 8.157 4.770 2.782 1.00 0.00 H new ATOM 0 HA LYS A 136 9.851 5.393 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.003 6.766 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.923 7.396 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.921 7.287 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.157 8.630 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.139 9.425 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.920 7.827 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.664 8.013 6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 136 11.222 9.692 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.452 8.540 8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 9.841 9.033 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.270 7.406 8.136 1.00 0.00 H new ATOM 915 N ALA A 137 6.552 5.389 5.235 1.00 0.00 N ATOM 916 CA ALA A 137 5.430 5.344 6.165 1.00 0.00 C ATOM 917 C ALA A 137 4.117 5.090 5.432 1.00 0.00 C ATOM 918 O ALA A 137 4.079 5.044 4.203 1.00 0.00 O ATOM 919 CB ALA A 137 5.351 6.637 6.961 1.00 0.00 C ATOM 0 H ALA A 137 6.290 5.314 4.252 1.00 0.00 H new ATOM 0 HA ALA A 137 5.596 4.516 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.509 6.589 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.274 6.774 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.214 7.476 6.279 1.00 0.00 H new ATOM 925 N ILE A 138 3.043 4.926 6.197 1.00 0.00 N ATOM 926 CA ILE A 138 1.726 4.678 5.624 1.00 0.00 C ATOM 927 C ILE A 138 0.661 5.534 6.307 1.00 0.00 C ATOM 928 O ILE A 138 0.600 5.602 7.534 1.00 0.00 O ATOM 929 CB ILE A 138 1.333 3.186 5.746 1.00 0.00 C ATOM 930 CG1 ILE A 138 2.115 2.345 4.734 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.167 3.002 5.543 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.444 1.031 4.387 1.00 0.00 C ATOM 0 H ILE A 138 3.059 4.960 7.216 1.00 0.00 H new ATOM 0 HA ILE A 138 1.781 4.946 4.569 1.00 0.00 H new ATOM 0 HB ILE A 138 1.585 2.848 6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.252 2.925 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.108 2.141 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.419 1.945 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.709 3.570 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.446 3.358 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.055 0.490 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.331 0.431 5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.462 1.227 3.956 1.00 0.00 H new ATOM 944 N LEU A 139 -0.179 6.174 5.502 1.00 0.00 N ATOM 945 CA LEU A 139 -1.249 7.013 6.027 1.00 0.00 C ATOM 946 C LEU A 139 -2.496 6.177 6.281 1.00 0.00 C ATOM 947 O LEU A 139 -2.991 6.103 7.406 1.00 0.00 O ATOM 948 CB LEU A 139 -1.575 8.141 5.049 1.00 0.00 C ATOM 949 CG LEU A 139 -0.469 9.180 4.866 1.00 0.00 C ATOM 950 CD1 LEU A 139 -0.341 10.046 6.109 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.853 8.499 4.547 1.00 0.00 C ATOM 0 H LEU A 139 -0.140 6.128 4.484 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.912 7.449 6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.806 7.703 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -2.476 8.649 5.392 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.734 9.823 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.451 10.780 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.284 10.561 6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.098 9.418 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.629 9.253 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.125 7.832 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.753 7.923 3.627 1.00 0.00 H new ATOM 963 N VAL A 140 -2.991 5.541 5.226 1.00 0.00 N ATOM 964 CA VAL A 140 -4.174 4.699 5.327 1.00 0.00 C ATOM 965 C VAL A 140 -3.868 3.445 6.135 1.00 0.00 C ATOM 966 O VAL A 140 -3.190 2.540 5.654 1.00 0.00 O ATOM 967 CB VAL A 140 -4.693 4.283 3.938 1.00 0.00 C ATOM 968 CG1 VAL A 140 -6.196 4.056 3.973 1.00 0.00 C ATOM 969 CG2 VAL A 140 -4.329 5.326 2.894 1.00 0.00 C ATOM 0 H VAL A 140 -2.590 5.593 4.290 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.944 5.285 5.829 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.214 3.344 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -6.543 3.763 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -6.428 3.266 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.696 4.976 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.705 5.013 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.775 6.283 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.245 5.432 2.848 1.00 0.00 H new ATOM 979 N GLU A 141 -4.362 3.402 7.366 1.00 0.00 N ATOM 980 CA GLU A 141 -4.128 2.256 8.240 1.00 0.00 C ATOM 981 C GLU A 141 -5.440 1.662 8.747 1.00 0.00 C ATOM 982 O GLU A 141 -6.420 2.378 8.956 1.00 0.00 O ATOM 983 CB GLU A 141 -3.251 2.664 9.424 1.00 0.00 C ATOM 984 CG GLU A 141 -1.769 2.718 9.092 1.00 0.00 C ATOM 985 CD GLU A 141 -0.992 3.616 10.035 1.00 0.00 C ATOM 986 OE1 GLU A 141 -0.873 3.264 11.227 1.00 0.00 O ATOM 987 OE2 GLU A 141 -0.503 4.672 9.580 1.00 0.00 O ATOM 0 H GLU A 141 -4.925 4.144 7.782 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.614 1.493 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -3.571 3.643 9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -3.407 1.959 10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -1.355 1.711 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -1.642 3.075 8.070 1.00 0.00 H new ATOM 994 N SER A 142 -5.445 0.348 8.948 1.00 0.00 N ATOM 995 CA SER A 142 -6.626 -0.354 9.440 1.00 0.00 C ATOM 996 C SER A 142 -7.861 -0.021 8.604 1.00 0.00 C ATOM 997 O SER A 142 -8.685 0.801 9.004 1.00 0.00 O ATOM 998 CB SER A 142 -6.881 0.010 10.904 1.00 0.00 C ATOM 999 OG SER A 142 -8.224 -0.256 11.270 1.00 0.00 O ATOM 0 H SER A 142 -4.640 -0.255 8.777 1.00 0.00 H new ATOM 0 HA SER A 142 -6.437 -1.424 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 142 -6.207 -0.557 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 142 -6.660 1.065 11.063 1.00 0.00 H new ATOM 0 HG SER A 142 -8.824 0.321 10.753 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.991 -0.663 7.444 1.00 0.00 N ATOM 1006 CA GLY A 143 -9.135 -0.412 6.589 1.00 0.00 C ATOM 1007 C GLY A 143 -9.496 1.056 6.523 1.00 0.00 C ATOM 1008 O GLY A 143 -10.653 1.410 6.295 1.00 0.00 O ATOM 0 H GLY A 143 -7.327 -1.349 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.921 -0.776 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -9.991 -0.978 6.957 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.502 1.915 6.724 1.00 0.00 N ATOM 1013 CA GLN A 144 -8.723 3.355 6.684 1.00 0.00 C ATOM 1014 C GLN A 144 -9.415 3.758 5.386 1.00 0.00 C ATOM 1015 O GLN A 144 -9.141 3.197 4.325 1.00 0.00 O ATOM 1016 CB GLN A 144 -7.396 4.103 6.826 1.00 0.00 C ATOM 1017 CG GLN A 144 -7.326 4.988 8.060 1.00 0.00 C ATOM 1018 CD GLN A 144 -6.304 6.100 7.921 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -5.173 5.981 8.391 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -6.699 7.190 7.272 1.00 0.00 N ATOM 0 H GLN A 144 -7.539 1.640 6.916 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.369 3.624 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -6.582 3.379 6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -7.238 4.717 5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -8.308 5.423 8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -7.077 4.377 8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.647 7.246 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -6.055 7.971 7.147 1.00 0.00 H new ATOM 1029 N PRO A 145 -10.325 4.740 5.459 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.065 5.223 4.290 1.00 0.00 C ATOM 1031 C PRO A 145 -10.140 5.619 3.143 1.00 0.00 C ATOM 1032 O PRO A 145 -9.553 6.702 3.152 1.00 0.00 O ATOM 1033 CB PRO A 145 -11.813 6.448 4.821 1.00 0.00 C ATOM 1034 CG PRO A 145 -11.943 6.206 6.286 1.00 0.00 C ATOM 1035 CD PRO A 145 -10.705 5.453 6.690 1.00 0.00 C ATOM 0 HA PRO A 145 -11.719 4.455 3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -11.262 7.367 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -12.790 6.551 4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.024 7.146 6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -12.841 5.630 6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -9.916 6.126 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -10.904 4.763 7.510 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.015 4.735 2.158 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.162 4.993 1.004 1.00 0.00 C ATOM 1045 C VAL A 146 -9.864 5.897 -0.004 1.00 0.00 C ATOM 1046 O VAL A 146 -10.670 5.436 -0.811 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.752 3.684 0.303 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.661 3.945 -0.723 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.300 2.651 1.323 1.00 0.00 C ATOM 0 H VAL A 146 -10.493 3.834 2.136 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.267 5.491 1.377 1.00 0.00 H new ATOM 0 HB VAL A 146 -9.622 3.287 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.385 3.008 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -8.027 4.647 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -6.788 4.367 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -8.014 1.733 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.445 3.037 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.116 2.441 2.014 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.552 7.188 0.049 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.154 8.157 -0.858 1.00 0.00 C ATOM 1061 C GLU A 147 -9.179 8.544 -1.967 1.00 0.00 C ATOM 1062 O GLU A 147 -7.980 8.688 -1.730 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.589 9.405 -0.089 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.211 10.476 -0.969 1.00 0.00 C ATOM 1065 CD GLU A 147 -12.210 11.338 -0.219 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -12.138 11.381 1.027 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -13.061 11.969 -0.879 1.00 0.00 O ATOM 0 H GLU A 147 -8.886 7.587 0.711 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.030 7.695 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.306 9.116 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.724 9.825 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -10.423 11.110 -1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.708 10.002 -1.815 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.703 8.709 -3.177 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.880 9.079 -4.321 1.00 0.00 C ATOM 1076 C PHE A 148 -7.775 10.044 -3.905 1.00 0.00 C ATOM 1077 O PHE A 148 -8.047 11.158 -3.456 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.743 9.710 -5.413 1.00 0.00 C ATOM 1079 CG PHE A 148 -8.965 10.537 -6.397 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.734 11.887 -6.161 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -8.464 9.964 -7.562 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.019 12.653 -7.070 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -7.747 10.725 -8.473 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.524 12.070 -8.226 1.00 0.00 C ATOM 0 H PHE A 148 -10.694 8.592 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.417 8.174 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.268 8.920 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.503 10.337 -4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -9.115 12.345 -5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -8.635 8.916 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.848 13.702 -6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -7.363 10.270 -9.374 1.00 0.00 H new ATOM 0 HZ PHE A 148 -6.965 12.664 -8.934 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.529 9.607 -4.053 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.382 10.431 -3.690 1.00 0.00 C ATOM 1096 C ASP A 149 -5.054 10.283 -2.207 1.00 0.00 C ATOM 1097 O ASP A 149 -4.922 11.273 -1.488 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.652 11.899 -4.021 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.450 12.582 -4.643 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.544 11.868 -5.122 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.414 13.831 -4.651 1.00 0.00 O ATOM 0 H ASP A 149 -6.288 8.687 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.525 10.089 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.498 11.965 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -5.936 12.427 -3.111 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.927 9.039 -1.757 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.614 8.758 -0.361 1.00 0.00 C ATOM 1108 C GLU A 150 -3.320 7.960 -0.247 1.00 0.00 C ATOM 1109 O GLU A 150 -3.243 6.816 -0.695 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.762 7.988 0.294 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.376 8.709 1.484 1.00 0.00 C ATOM 1112 CD GLU A 150 -6.184 7.955 2.784 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -6.941 6.992 3.030 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -5.277 8.327 3.558 1.00 0.00 O ATOM 0 H GLU A 150 -5.036 8.209 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.481 9.708 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.538 7.806 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.397 7.014 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -5.930 9.700 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.442 8.854 1.306 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.282 8.558 0.355 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.983 7.903 0.529 1.00 0.00 C ATOM 1123 C PRO A 151 -1.112 6.508 1.129 1.00 0.00 C ATOM 1124 O PRO A 151 -1.227 6.351 2.345 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.244 8.834 1.490 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.852 10.174 1.261 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.295 9.922 0.914 1.00 0.00 C ATOM 0 HA PRO A 151 -0.470 7.755 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.368 8.515 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.827 8.845 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.768 10.798 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.343 10.700 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.937 9.989 1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.667 10.648 0.191 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.090 5.494 0.268 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.203 4.111 0.714 1.00 0.00 C ATOM 1137 C LEU A 152 0.115 3.626 1.311 1.00 0.00 C ATOM 1138 O LEU A 152 0.157 3.155 2.448 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.611 3.206 -0.451 1.00 0.00 C ATOM 1140 CG LEU A 152 -3.011 3.463 -1.011 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -3.179 2.778 -2.358 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -4.072 2.983 -0.031 1.00 0.00 C ATOM 0 H LEU A 152 -0.995 5.605 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.972 4.066 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.886 3.327 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.552 2.168 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.135 4.537 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -4.181 2.971 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.440 3.167 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -3.037 1.704 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.062 3.173 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.950 1.914 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.964 3.518 0.913 1.00 0.00 H new ATOM 1154 N VAL A 153 1.187 3.745 0.535 1.00 0.00 N ATOM 1155 CA VAL A 153 2.508 3.321 0.986 1.00 0.00 C ATOM 1156 C VAL A 153 3.604 4.160 0.339 1.00 0.00 C ATOM 1157 O VAL A 153 4.031 3.885 -0.783 1.00 0.00 O ATOM 1158 CB VAL A 153 2.760 1.835 0.669 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.028 1.350 1.354 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.565 0.990 1.085 1.00 0.00 C ATOM 0 H VAL A 153 1.167 4.131 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 153 2.534 3.463 2.066 1.00 0.00 H new ATOM 0 HB VAL A 153 2.893 1.730 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.189 0.298 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.878 1.935 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.927 1.469 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.761 -0.057 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.397 1.099 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.679 1.321 0.544 1.00 0.00 H new ATOM 1170 N VAL A 154 4.057 5.185 1.054 1.00 0.00 N ATOM 1171 CA VAL A 154 5.104 6.065 0.550 1.00 0.00 C ATOM 1172 C VAL A 154 6.481 5.431 0.714 1.00 0.00 C ATOM 1173 O VAL A 154 6.901 5.113 1.827 1.00 0.00 O ATOM 1174 CB VAL A 154 5.087 7.426 1.270 1.00 0.00 C ATOM 1175 CG1 VAL A 154 3.669 7.968 1.355 1.00 0.00 C ATOM 1176 CG2 VAL A 154 5.702 7.304 2.657 1.00 0.00 C ATOM 0 H VAL A 154 3.715 5.426 1.984 1.00 0.00 H new ATOM 0 HA VAL A 154 4.904 6.221 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 154 5.686 8.129 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 154 3.677 8.930 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.267 8.095 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.044 7.268 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.681 8.275 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.132 6.585 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 154 6.734 6.964 2.569 1.00 0.00 H new ATOM 1186 N ILE A 155 7.180 5.251 -0.401 1.00 0.00 N ATOM 1187 CA ILE A 155 8.511 4.655 -0.382 1.00 0.00 C ATOM 1188 C ILE A 155 9.589 5.708 -0.615 1.00 0.00 C ATOM 1189 O ILE A 155 9.436 6.592 -1.459 1.00 0.00 O ATOM 1190 CB ILE A 155 8.648 3.552 -1.448 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.495 2.554 -1.333 1.00 0.00 C ATOM 1192 CG2 ILE A 155 9.986 2.842 -1.305 1.00 0.00 C ATOM 1193 CD1 ILE A 155 6.771 2.315 -2.640 1.00 0.00 C ATOM 0 H ILE A 155 6.847 5.509 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 155 8.645 4.214 0.606 1.00 0.00 H new ATOM 0 HB ILE A 155 8.606 4.014 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.882 1.605 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.782 2.918 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.069 2.065 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.795 3.561 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.054 2.390 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 155 5.966 1.597 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.354 3.255 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.471 1.921 -3.377 1.00 0.00 H new ATOM 1205 N GLU A 156 10.681 5.606 0.137 1.00 0.00 N ATOM 1206 CA GLU A 156 11.785 6.550 0.011 1.00 0.00 C ATOM 1207 C GLU A 156 13.113 5.815 -0.133 1.00 0.00 C ATOM 1208 O GLU A 156 14.165 6.489 -0.128 1.00 0.00 O ATOM 1209 CB GLU A 156 11.832 7.479 1.227 1.00 0.00 C ATOM 1210 CG GLU A 156 12.553 8.790 0.963 1.00 0.00 C ATOM 1211 CD GLU A 156 12.922 9.520 2.240 1.00 0.00 C ATOM 1212 OE1 GLU A 156 12.067 10.263 2.766 1.00 0.00 O ATOM 1213 OE2 GLU A 156 14.065 9.349 2.712 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.091 4.572 -0.250 1.00 0.00 O ATOM 0 H GLU A 156 10.824 4.880 0.839 1.00 0.00 H new ATOM 0 HA GLU A 156 11.620 7.147 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 156 10.813 7.693 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.325 6.962 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 156 13.457 8.593 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 156 11.919 9.432 0.352 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -14.024 -11.400 1.557 1.00 0.00 C HETATM 1223 O11 BTN A 222 -14.894 -12.115 1.057 1.00 0.00 O HETATM 1224 C10 BTN A 222 -13.275 -11.912 2.770 1.00 0.00 C HETATM 1225 C9 BTN A 222 -11.772 -11.974 2.547 1.00 0.00 C HETATM 1226 C8 BTN A 222 -11.006 -11.626 3.812 1.00 0.00 C HETATM 1227 C7 BTN A 222 -9.559 -11.272 3.508 1.00 0.00 C HETATM 1228 C2 BTN A 222 -8.827 -10.618 4.687 1.00 0.00 C HETATM 1229 S1 BTN A 222 -9.408 -8.930 5.127 1.00 0.00 S HETATM 1230 C6 BTN A 222 -8.281 -8.170 3.882 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.020 -9.033 3.870 1.00 0.00 C HETATM 1232 N1 BTN A 222 -6.559 -9.316 2.517 1.00 0.00 N HETATM 1233 C3 BTN A 222 -6.553 -10.611 2.193 1.00 0.00 C HETATM 1234 O3 BTN A 222 -6.208 -11.095 1.114 1.00 0.00 O HETATM 1235 N2 BTN A 222 -6.990 -11.282 3.257 1.00 0.00 N HETATM 1236 C4 BTN A 222 -7.325 -10.435 4.395 1.00 0.00 C HETATM 0 H102 BTN A 222 -13.486 -11.265 3.622 1.00 0.00 H new HETATM 0 H101 BTN A 222 -13.642 -12.906 3.026 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -7.082 -12.298 3.274 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -6.265 -8.584 1.870 1.00 0.00 H new HETATM 0 H92 BTN A 222 -11.493 -12.974 2.215 1.00 0.00 H new HETATM 0 H91 BTN A 222 -11.493 -11.285 1.750 1.00 0.00 H new HETATM 0 H82 BTN A 222 -11.490 -10.787 4.312 1.00 0.00 H new HETATM 0 H81 BTN A 222 -11.038 -12.469 4.502 1.00 0.00 H new HETATM 0 H72 BTN A 222 -9.026 -12.177 3.217 1.00 0.00 H new HETATM 0 H71 BTN A 222 -9.531 -10.596 2.653 1.00 0.00 H new HETATM 0 H62 BTN A 222 -8.747 -8.147 2.897 1.00 0.00 H new HETATM 0 H61 BTN A 222 -8.045 -7.139 4.147 1.00 0.00 H new HETATM 0 H5 BTN A 222 -6.295 -8.473 4.461 1.00 0.00 H new HETATM 0 H4 BTN A 222 -6.787 -10.650 5.318 1.00 0.00 H new HETATM 0 H2 BTN A 222 -9.033 -11.311 5.503 1.00 0.00 H new