USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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: A 32 MET CE :methyl -173:sc= -1.33 (180deg=-0.572) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.986 K(o=-2.4,f=-6!) USER MOD Set 1.3: A 97 ASN : amide:sc= -0.089 K(o=-2.4,f=-3.8!) USER MOD Set 2.1: A 11 CYS SG : rot -100:sc= 0.609 USER MOD Set 2.2: A 13 THR OG1 : rot 28:sc= 0.109 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc=-0.00932 (180deg=-0.204) USER MOD Single : A 9 THR OG1 : rot -8:sc= -0.13 USER MOD Single : A 17 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=0) USER MOD Single : A 18 THR OG1 : rot -154:sc= -2.36! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -160:sc= 0 (180deg=-0.222) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.929 F(o=-1.9!,f=-0.93) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.026) USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= -1.55! (180deg=-4.04!) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc=-0.00391 (180deg=-0.195) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 1.14 (180deg=1.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -3.79! C(o=-3.8!,f=-7.5!) USER MOD Single : A 44 THR OG1 : rot 21:sc= 0.812 USER MOD Single : A 48 ASN : amide:sc= 0.0618 X(o=0.062,f=0) USER MOD Single : A 51 THR OG1 : rot -59:sc= 0.432 USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= -0.539 (180deg=-2.27!) USER MOD Single : A 56 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.86) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.103 K(o=0.1,f=-4!) USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= 0.00733 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.822) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.909 1.077 -7.853 1.00 0.00 N ATOM 21 CA LYS A 2 -12.775 1.850 -8.364 1.00 0.00 C ATOM 22 C LYS A 2 -12.067 2.600 -7.240 1.00 0.00 C ATOM 23 O LYS A 2 -11.599 3.723 -7.427 1.00 0.00 O ATOM 24 CB LYS A 2 -13.255 2.848 -9.423 1.00 0.00 C ATOM 25 CG LYS A 2 -14.000 2.208 -10.581 1.00 0.00 C ATOM 26 CD LYS A 2 -14.554 3.260 -11.524 1.00 0.00 C ATOM 27 CE LYS A 2 -15.411 2.638 -12.614 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.014 3.670 -13.496 1.00 0.00 N ATOM 0 HA LYS A 2 -12.068 1.152 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.905 3.582 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.394 3.390 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.329 1.544 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.815 1.594 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.148 3.979 -10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.731 3.812 -11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.803 1.959 -13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.202 2.041 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.591 3.208 -14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.614 4.303 -12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.259 4.223 -13.950 1.00 0.00 H new ATOM 42 N ARG A 3 -11.969 1.962 -6.082 1.00 0.00 N ATOM 43 CA ARG A 3 -11.420 2.607 -4.902 1.00 0.00 C ATOM 44 C ARG A 3 -9.956 2.970 -5.125 1.00 0.00 C ATOM 45 O ARG A 3 -9.158 2.135 -5.549 1.00 0.00 O ATOM 46 CB ARG A 3 -11.565 1.692 -3.688 1.00 0.00 C ATOM 47 CG ARG A 3 -11.729 2.440 -2.379 1.00 0.00 C ATOM 48 CD ARG A 3 -12.995 3.288 -2.379 1.00 0.00 C ATOM 49 NE ARG A 3 -13.291 3.822 -1.054 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.311 5.120 -0.759 1.00 0.00 C ATOM 51 NH1 ARG A 3 -13.141 6.022 -1.715 1.00 0.00 N ATOM 52 NH2 ARG A 3 -13.534 5.517 0.490 1.00 0.00 N ATOM 0 H ARG A 3 -12.264 0.996 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.976 3.526 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.427 1.041 -3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.688 1.049 -3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.765 1.729 -1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.861 3.078 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.881 4.111 -3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.836 2.686 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.496 3.159 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.995 5.722 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.157 7.016 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.690 4.827 1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.549 6.512 0.714 1.00 0.00 H new ATOM 66 N LYS A 4 -9.623 4.222 -4.859 1.00 0.00 N ATOM 67 CA LYS A 4 -8.271 4.724 -5.068 1.00 0.00 C ATOM 68 C LYS A 4 -7.394 4.360 -3.878 1.00 0.00 C ATOM 69 O LYS A 4 -7.688 4.743 -2.747 1.00 0.00 O ATOM 70 CB LYS A 4 -8.312 6.242 -5.246 1.00 0.00 C ATOM 71 CG LYS A 4 -9.440 6.716 -6.147 1.00 0.00 C ATOM 72 CD LYS A 4 -9.219 6.324 -7.600 1.00 0.00 C ATOM 73 CE LYS A 4 -10.468 6.562 -8.436 1.00 0.00 C ATOM 74 NZ LYS A 4 -11.047 7.915 -8.219 1.00 0.00 N ATOM 0 H LYS A 4 -10.275 4.916 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.851 4.270 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.417 6.712 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.361 6.577 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.383 6.294 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.529 7.800 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.389 6.899 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.937 5.273 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.224 6.439 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.215 5.807 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.788 8.093 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.459 7.967 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.299 8.632 -8.313 1.00 0.00 H new ATOM 88 N ILE A 5 -6.332 3.612 -4.124 1.00 0.00 N ATOM 89 CA ILE A 5 -5.475 3.140 -3.046 1.00 0.00 C ATOM 90 C ILE A 5 -3.999 3.226 -3.426 1.00 0.00 C ATOM 91 O ILE A 5 -3.609 2.857 -4.535 1.00 0.00 O ATOM 92 CB ILE A 5 -5.812 1.676 -2.669 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.267 1.557 -2.202 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.866 1.161 -1.592 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.695 0.139 -1.893 1.00 0.00 C ATOM 0 H ILE A 5 -6.042 3.318 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.659 3.788 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.684 1.062 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.404 2.170 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.921 1.964 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.123 0.131 -1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.840 1.201 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.957 1.782 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.736 0.135 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.591 -0.475 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.067 -0.266 -1.100 1.00 0.00 H new ATOM 107 N ILE A 6 -3.186 3.731 -2.508 1.00 0.00 N ATOM 108 CA ILE A 6 -1.740 3.668 -2.656 1.00 0.00 C ATOM 109 C ILE A 6 -1.162 2.804 -1.542 1.00 0.00 C ATOM 110 O ILE A 6 -1.574 2.904 -0.386 1.00 0.00 O ATOM 111 CB ILE A 6 -1.045 5.060 -2.664 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.290 5.849 -1.363 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.495 5.869 -3.872 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.670 6.465 -1.247 1.00 0.00 C ATOM 0 H ILE A 6 -3.504 4.188 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.542 3.230 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 6 0.028 4.883 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.132 5.183 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.546 6.642 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.000 6.840 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.232 5.336 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.575 6.011 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.751 7.000 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.829 7.160 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.424 5.679 -1.285 1.00 0.00 H new ATOM 126 N ALA A 7 -0.237 1.930 -1.888 1.00 0.00 N ATOM 127 CA ALA A 7 0.324 1.006 -0.918 1.00 0.00 C ATOM 128 C ALA A 7 1.831 0.934 -1.065 1.00 0.00 C ATOM 129 O ALA A 7 2.342 0.771 -2.166 1.00 0.00 O ATOM 130 CB ALA A 7 -0.295 -0.374 -1.078 1.00 0.00 C ATOM 0 H ALA A 7 0.142 1.839 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 7 0.093 1.372 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.137 -1.054 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.372 -0.310 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.094 -0.749 -2.082 1.00 0.00 H new ATOM 136 N VAL A 8 2.536 1.066 0.043 1.00 0.00 N ATOM 137 CA VAL A 8 3.985 1.011 0.029 1.00 0.00 C ATOM 138 C VAL A 8 4.483 -0.290 0.650 1.00 0.00 C ATOM 139 O VAL A 8 4.302 -0.538 1.842 1.00 0.00 O ATOM 140 CB VAL A 8 4.608 2.209 0.773 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.127 2.154 0.703 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.096 3.520 0.197 1.00 0.00 C ATOM 0 H VAL A 8 2.127 1.212 0.966 1.00 0.00 H new ATOM 0 HA VAL A 8 4.297 1.055 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 8 4.311 2.153 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.547 3.008 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.479 1.231 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.444 2.183 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.547 4.354 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.362 3.582 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.012 3.564 0.301 1.00 0.00 H new ATOM 152 N THR A 9 5.086 -1.121 -0.179 1.00 0.00 N ATOM 153 CA THR A 9 5.699 -2.354 0.270 1.00 0.00 C ATOM 154 C THR A 9 7.207 -2.176 0.342 1.00 0.00 C ATOM 155 O THR A 9 7.851 -1.896 -0.669 1.00 0.00 O ATOM 156 CB THR A 9 5.356 -3.521 -0.677 1.00 0.00 C ATOM 157 OG1 THR A 9 5.604 -3.140 -2.039 1.00 0.00 O ATOM 158 CG2 THR A 9 3.902 -3.933 -0.521 1.00 0.00 C ATOM 0 H THR A 9 5.164 -0.959 -1.183 1.00 0.00 H new ATOM 0 HA THR A 9 5.308 -2.592 1.259 1.00 0.00 H new ATOM 0 HB THR A 9 5.990 -4.368 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.812 -2.183 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.683 -4.758 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.722 -4.250 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.257 -3.087 -0.758 1.00 0.00 H new ATOM 166 N ALA A 10 7.766 -2.315 1.529 1.00 0.00 N ATOM 167 CA ALA A 10 9.186 -2.080 1.721 1.00 0.00 C ATOM 168 C ALA A 10 9.795 -3.113 2.649 1.00 0.00 C ATOM 169 O ALA A 10 9.312 -3.328 3.754 1.00 0.00 O ATOM 170 CB ALA A 10 9.424 -0.680 2.263 1.00 0.00 C ATOM 0 H ALA A 10 7.262 -2.588 2.372 1.00 0.00 H new ATOM 0 HA ALA A 10 9.673 -2.170 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.493 -0.520 2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.036 0.054 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.914 -0.569 3.220 1.00 0.00 H new ATOM 176 N CYS A 11 10.857 -3.745 2.197 1.00 0.00 N ATOM 177 CA CYS A 11 11.554 -4.730 2.999 1.00 0.00 C ATOM 178 C CYS A 11 12.972 -4.883 2.484 1.00 0.00 C ATOM 179 O CYS A 11 13.190 -5.031 1.279 1.00 0.00 O ATOM 180 CB CYS A 11 10.822 -6.077 2.959 1.00 0.00 C ATOM 181 SG CYS A 11 11.490 -7.320 4.090 1.00 0.00 S ATOM 0 H CYS A 11 11.259 -3.593 1.272 1.00 0.00 H new ATOM 0 HA CYS A 11 11.580 -4.393 4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.771 -5.913 3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.861 -6.469 1.943 1.00 0.00 H new ATOM 0 HG CYS A 11 12.262 -8.134 3.433 1.00 0.00 H new ATOM 187 N ALA A 12 13.933 -4.825 3.389 1.00 0.00 N ATOM 188 CA ALA A 12 15.331 -4.931 3.010 1.00 0.00 C ATOM 189 C ALA A 12 15.715 -6.385 2.795 1.00 0.00 C ATOM 190 O ALA A 12 16.488 -6.711 1.895 1.00 0.00 O ATOM 191 CB ALA A 12 16.218 -4.300 4.071 1.00 0.00 C ATOM 0 H ALA A 12 13.772 -4.705 4.389 1.00 0.00 H new ATOM 0 HA ALA A 12 15.476 -4.393 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.262 -4.388 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.960 -3.247 4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.069 -4.812 5.022 1.00 0.00 H new ATOM 197 N THR A 13 15.157 -7.257 3.617 1.00 0.00 N ATOM 198 CA THR A 13 15.473 -8.669 3.556 1.00 0.00 C ATOM 199 C THR A 13 14.439 -9.430 2.731 1.00 0.00 C ATOM 200 O THR A 13 13.240 -9.364 3.001 1.00 0.00 O ATOM 201 CB THR A 13 15.552 -9.268 4.970 1.00 0.00 C ATOM 202 OG1 THR A 13 14.366 -8.940 5.710 1.00 0.00 O ATOM 203 CG2 THR A 13 16.775 -8.742 5.703 1.00 0.00 C ATOM 0 H THR A 13 14.479 -7.008 4.337 1.00 0.00 H new ATOM 0 HA THR A 13 16.444 -8.769 3.072 1.00 0.00 H new ATOM 0 HB THR A 13 15.634 -10.351 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.617 -8.816 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.815 -9.176 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.675 -9.015 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.713 -7.657 5.781 1.00 0.00 H new ATOM 211 N GLY A 14 14.908 -10.151 1.726 1.00 0.00 N ATOM 212 CA GLY A 14 14.010 -10.907 0.881 1.00 0.00 C ATOM 213 C GLY A 14 13.256 -10.022 -0.088 1.00 0.00 C ATOM 214 O GLY A 14 12.063 -9.776 0.088 1.00 0.00 O ATOM 0 H GLY A 14 15.895 -10.226 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.579 -11.651 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.299 -11.450 1.504 1.00 0.00 H new ATOM 218 N VAL A 15 13.957 -9.553 -1.114 1.00 0.00 N ATOM 219 CA VAL A 15 13.369 -8.676 -2.129 1.00 0.00 C ATOM 220 C VAL A 15 12.154 -9.331 -2.790 1.00 0.00 C ATOM 221 O VAL A 15 11.174 -8.659 -3.122 1.00 0.00 O ATOM 222 CB VAL A 15 14.406 -8.301 -3.215 1.00 0.00 C ATOM 223 CG1 VAL A 15 13.813 -7.326 -4.224 1.00 0.00 C ATOM 224 CG2 VAL A 15 15.659 -7.715 -2.581 1.00 0.00 C ATOM 0 H VAL A 15 14.942 -9.766 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 15 13.048 -7.768 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 15 14.681 -9.213 -3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.563 -7.079 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 15 12.950 -7.784 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.501 -6.416 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.375 -7.458 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.397 -6.818 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.103 -8.448 -1.908 1.00 0.00 H new ATOM 234 N ALA A 16 12.212 -10.649 -2.954 1.00 0.00 N ATOM 235 CA ALA A 16 11.111 -11.394 -3.555 1.00 0.00 C ATOM 236 C ALA A 16 9.875 -11.341 -2.664 1.00 0.00 C ATOM 237 O ALA A 16 8.747 -11.386 -3.148 1.00 0.00 O ATOM 238 CB ALA A 16 11.519 -12.835 -3.820 1.00 0.00 C ATOM 0 H ALA A 16 13.009 -11.223 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 16 10.865 -10.928 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.684 -13.373 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.370 -12.853 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.796 -13.313 -2.881 1.00 0.00 H new ATOM 244 N HIS A 17 10.093 -11.217 -1.358 1.00 0.00 N ATOM 245 CA HIS A 17 8.990 -11.103 -0.408 1.00 0.00 C ATOM 246 C HIS A 17 8.367 -9.721 -0.519 1.00 0.00 C ATOM 247 O HIS A 17 7.144 -9.573 -0.496 1.00 0.00 O ATOM 248 CB HIS A 17 9.465 -11.349 1.031 1.00 0.00 C ATOM 249 CG HIS A 17 9.887 -12.761 1.308 1.00 0.00 C ATOM 250 ND1 HIS A 17 10.162 -13.231 2.576 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.090 -13.809 0.473 1.00 0.00 C ATOM 252 CE1 HIS A 17 10.515 -14.499 2.507 1.00 0.00 C ATOM 253 NE2 HIS A 17 10.479 -14.873 1.243 1.00 0.00 N ATOM 0 H HIS A 17 11.020 -11.193 -0.934 1.00 0.00 H new ATOM 0 HA HIS A 17 8.248 -11.863 -0.650 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.302 -10.684 1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.662 -11.081 1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.968 -13.806 -0.600 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.787 -15.125 3.344 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.705 -15.805 0.895 1.00 0.00 H new ATOM 262 N THR A 18 9.225 -8.717 -0.657 1.00 0.00 N ATOM 263 CA THR A 18 8.792 -7.343 -0.848 1.00 0.00 C ATOM 264 C THR A 18 7.902 -7.230 -2.084 1.00 0.00 C ATOM 265 O THR A 18 6.796 -6.690 -2.026 1.00 0.00 O ATOM 266 CB THR A 18 10.011 -6.415 -1.019 1.00 0.00 C ATOM 267 OG1 THR A 18 11.012 -6.752 -0.049 1.00 0.00 O ATOM 268 CG2 THR A 18 9.612 -4.956 -0.856 1.00 0.00 C ATOM 0 H THR A 18 10.238 -8.835 -0.639 1.00 0.00 H new ATOM 0 HA THR A 18 8.226 -7.042 0.034 1.00 0.00 H new ATOM 0 HB THR A 18 10.410 -6.552 -2.024 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.568 -5.966 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.490 -4.322 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.867 -4.696 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.193 -4.802 0.138 1.00 0.00 H new ATOM 276 N TYR A 19 8.386 -7.773 -3.196 1.00 0.00 N ATOM 277 CA TYR A 19 7.651 -7.724 -4.451 1.00 0.00 C ATOM 278 C TYR A 19 6.399 -8.594 -4.386 1.00 0.00 C ATOM 279 O TYR A 19 5.384 -8.276 -5.006 1.00 0.00 O ATOM 280 CB TYR A 19 8.539 -8.164 -5.619 1.00 0.00 C ATOM 281 CG TYR A 19 7.845 -8.089 -6.962 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.668 -6.869 -7.604 1.00 0.00 C ATOM 283 CD2 TYR A 19 7.358 -9.233 -7.581 1.00 0.00 C ATOM 284 CE1 TYR A 19 7.025 -6.793 -8.824 1.00 0.00 C ATOM 285 CE2 TYR A 19 6.712 -9.165 -8.801 1.00 0.00 C ATOM 286 CZ TYR A 19 6.550 -7.943 -9.418 1.00 0.00 C ATOM 287 OH TYR A 19 5.907 -7.870 -10.632 1.00 0.00 O ATOM 0 H TYR A 19 9.285 -8.252 -3.252 1.00 0.00 H new ATOM 0 HA TYR A 19 7.345 -6.691 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.431 -7.538 -5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.872 -9.187 -5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.039 -5.966 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.486 -10.192 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.895 -5.837 -9.310 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.337 -10.064 -9.268 1.00 0.00 H new ATOM 0 HH TYR A 19 5.636 -8.769 -10.913 1.00 0.00 H new ATOM 297 N MET A 20 6.465 -9.685 -3.633 1.00 0.00 N ATOM 298 CA MET A 20 5.324 -10.579 -3.503 1.00 0.00 C ATOM 299 C MET A 20 4.154 -9.861 -2.851 1.00 0.00 C ATOM 300 O MET A 20 3.025 -9.959 -3.323 1.00 0.00 O ATOM 301 CB MET A 20 5.674 -11.820 -2.694 1.00 0.00 C ATOM 302 CG MET A 20 4.549 -12.839 -2.668 1.00 0.00 C ATOM 303 SD MET A 20 4.990 -14.325 -1.744 1.00 0.00 S ATOM 304 CE MET A 20 3.593 -15.382 -2.119 1.00 0.00 C ATOM 0 H MET A 20 7.291 -9.970 -3.107 1.00 0.00 H new ATOM 0 HA MET A 20 5.042 -10.892 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.568 -12.282 -3.114 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.917 -11.526 -1.673 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.663 -12.387 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.287 -13.114 -3.690 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.524 -16.172 -1.372 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.677 -14.792 -2.108 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.727 -15.826 -3.105 1.00 0.00 H new ATOM 314 N ALA A 21 4.434 -9.134 -1.775 1.00 0.00 N ATOM 315 CA ALA A 21 3.410 -8.351 -1.104 1.00 0.00 C ATOM 316 C ALA A 21 2.840 -7.308 -2.055 1.00 0.00 C ATOM 317 O ALA A 21 1.639 -7.041 -2.059 1.00 0.00 O ATOM 318 CB ALA A 21 3.986 -7.680 0.133 1.00 0.00 C ATOM 0 H ALA A 21 5.360 -9.072 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 21 2.605 -9.018 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.208 -7.097 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.359 -8.440 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.804 -7.021 -0.158 1.00 0.00 H new ATOM 324 N ALA A 22 3.716 -6.743 -2.875 1.00 0.00 N ATOM 325 CA ALA A 22 3.327 -5.728 -3.841 1.00 0.00 C ATOM 326 C ALA A 22 2.377 -6.293 -4.893 1.00 0.00 C ATOM 327 O ALA A 22 1.322 -5.718 -5.161 1.00 0.00 O ATOM 328 CB ALA A 22 4.561 -5.133 -4.503 1.00 0.00 C ATOM 0 H ALA A 22 4.709 -6.974 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 22 2.797 -4.940 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.257 -4.374 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.197 -4.678 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.114 -5.920 -5.016 1.00 0.00 H new ATOM 334 N GLN A 23 2.747 -7.427 -5.481 1.00 0.00 N ATOM 335 CA GLN A 23 1.933 -8.030 -6.528 1.00 0.00 C ATOM 336 C GLN A 23 0.672 -8.661 -5.949 1.00 0.00 C ATOM 337 O GLN A 23 -0.353 -8.729 -6.624 1.00 0.00 O ATOM 338 CB GLN A 23 2.731 -9.064 -7.329 1.00 0.00 C ATOM 339 CG GLN A 23 3.190 -10.268 -6.523 1.00 0.00 C ATOM 340 CD GLN A 23 3.846 -11.327 -7.385 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.785 -12.057 -6.807 1.00 0.00 O flip ATOM 342 NE2 GLN A 23 3.512 -11.485 -8.561 1.00 0.00 N flip ATOM 0 H GLN A 23 3.597 -7.942 -5.252 1.00 0.00 H new ATOM 0 HA GLN A 23 1.635 -7.232 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.119 -9.412 -8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.606 -8.576 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.893 -9.942 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.334 -10.703 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.782 -10.899 -8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.965 -12.202 -9.128 1.00 0.00 H new ATOM 351 N ALA A 24 0.747 -9.118 -4.702 1.00 0.00 N ATOM 352 CA ALA A 24 -0.416 -9.680 -4.029 1.00 0.00 C ATOM 353 C ALA A 24 -1.445 -8.593 -3.768 1.00 0.00 C ATOM 354 O ALA A 24 -2.635 -8.775 -4.021 1.00 0.00 O ATOM 355 CB ALA A 24 -0.015 -10.355 -2.724 1.00 0.00 C ATOM 0 H ALA A 24 1.598 -9.110 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.857 -10.435 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.901 -10.767 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.691 -11.159 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.452 -9.623 -2.064 1.00 0.00 H new ATOM 361 N LEU A 25 -0.977 -7.462 -3.264 1.00 0.00 N ATOM 362 CA LEU A 25 -1.847 -6.299 -3.066 1.00 0.00 C ATOM 363 C LEU A 25 -2.426 -5.812 -4.393 1.00 0.00 C ATOM 364 O LEU A 25 -3.618 -5.507 -4.488 1.00 0.00 O ATOM 365 CB LEU A 25 -1.089 -5.163 -2.379 1.00 0.00 C ATOM 366 CG LEU A 25 -0.813 -5.374 -0.890 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.040 -4.242 -0.341 1.00 0.00 C ATOM 368 CD2 LEU A 25 -2.119 -5.477 -0.118 1.00 0.00 C ATOM 0 H LEU A 25 -0.007 -7.318 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.670 -6.610 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.138 -5.019 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.659 -4.242 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.265 -6.308 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.227 -4.409 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.989 -4.209 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.483 -3.295 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.905 -5.627 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.691 -4.558 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.699 -6.320 -0.494 1.00 0.00 H new ATOM 380 N LYS A 26 -1.575 -5.744 -5.414 1.00 0.00 N ATOM 381 CA LYS A 26 -2.002 -5.358 -6.758 1.00 0.00 C ATOM 382 C LYS A 26 -3.081 -6.318 -7.264 1.00 0.00 C ATOM 383 O LYS A 26 -4.032 -5.912 -7.933 1.00 0.00 O ATOM 384 CB LYS A 26 -0.799 -5.371 -7.708 1.00 0.00 C ATOM 385 CG LYS A 26 -1.103 -4.872 -9.113 1.00 0.00 C ATOM 386 CD LYS A 26 0.018 -5.226 -10.081 1.00 0.00 C ATOM 387 CE LYS A 26 1.324 -4.524 -9.733 1.00 0.00 C ATOM 388 NZ LYS A 26 1.316 -3.092 -10.135 1.00 0.00 N ATOM 0 H LYS A 26 -0.580 -5.952 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.418 -4.351 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.007 -4.756 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.413 -6.388 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.039 -5.309 -9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.243 -3.791 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.175 -6.305 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.280 -4.954 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.499 -4.597 -8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.151 -5.034 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.224 -2.654 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.175 -3.021 -11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.543 -2.598 -9.645 1.00 0.00 H new ATOM 402 N LYS A 27 -2.909 -7.589 -6.929 1.00 0.00 N ATOM 403 CA LYS A 27 -3.852 -8.637 -7.277 1.00 0.00 C ATOM 404 C LYS A 27 -5.180 -8.454 -6.540 1.00 0.00 C ATOM 405 O LYS A 27 -6.244 -8.418 -7.160 1.00 0.00 O ATOM 406 CB LYS A 27 -3.218 -9.978 -6.911 1.00 0.00 C ATOM 407 CG LYS A 27 -4.058 -11.196 -7.226 1.00 0.00 C ATOM 408 CD LYS A 27 -3.313 -12.460 -6.835 1.00 0.00 C ATOM 409 CE LYS A 27 -3.052 -12.526 -5.333 1.00 0.00 C ATOM 410 NZ LYS A 27 -4.300 -12.710 -4.545 1.00 0.00 N ATOM 0 H LYS A 27 -2.102 -7.923 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.070 -8.597 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.267 -10.067 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.995 -9.977 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.005 -11.142 -6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.295 -11.219 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.891 -13.332 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.364 -12.503 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.369 -13.349 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.556 -11.610 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.061 -12.833 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.907 -11.873 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.805 -13.552 -4.887 1.00 0.00 H new ATOM 424 N GLY A 28 -5.099 -8.319 -5.219 1.00 0.00 N ATOM 425 CA GLY A 28 -6.289 -8.205 -4.393 1.00 0.00 C ATOM 426 C GLY A 28 -7.167 -7.024 -4.767 1.00 0.00 C ATOM 427 O GLY A 28 -8.379 -7.170 -4.930 1.00 0.00 O ATOM 0 H GLY A 28 -4.221 -8.286 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.871 -9.123 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.991 -8.111 -3.349 1.00 0.00 H new ATOM 431 N ALA A 29 -6.559 -5.854 -4.907 1.00 0.00 N ATOM 432 CA ALA A 29 -7.300 -4.652 -5.273 1.00 0.00 C ATOM 433 C ALA A 29 -7.911 -4.779 -6.664 1.00 0.00 C ATOM 434 O ALA A 29 -8.990 -4.246 -6.929 1.00 0.00 O ATOM 435 CB ALA A 29 -6.402 -3.432 -5.198 1.00 0.00 C ATOM 0 H ALA A 29 -5.558 -5.710 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.115 -4.532 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.971 -2.544 -5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.025 -3.320 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.564 -3.554 -5.884 1.00 0.00 H new ATOM 441 N LYS A 30 -7.223 -5.491 -7.546 1.00 0.00 N ATOM 442 CA LYS A 30 -7.724 -5.724 -8.892 1.00 0.00 C ATOM 443 C LYS A 30 -8.936 -6.650 -8.852 1.00 0.00 C ATOM 444 O LYS A 30 -9.896 -6.472 -9.604 1.00 0.00 O ATOM 445 CB LYS A 30 -6.627 -6.328 -9.773 1.00 0.00 C ATOM 446 CG LYS A 30 -7.070 -6.604 -11.202 1.00 0.00 C ATOM 447 CD LYS A 30 -5.950 -7.201 -12.046 1.00 0.00 C ATOM 448 CE LYS A 30 -4.907 -6.161 -12.444 1.00 0.00 C ATOM 449 NZ LYS A 30 -4.037 -5.750 -11.308 1.00 0.00 N ATOM 0 H LYS A 30 -6.317 -5.917 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.027 -4.768 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.774 -5.650 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.284 -7.259 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.919 -7.287 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.413 -5.676 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.466 -8.003 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.374 -7.649 -12.945 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.286 -6.564 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.412 -5.282 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.057 -5.647 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.370 -4.842 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.075 -6.474 -10.562 1.00 0.00 H new ATOM 463 N LYS A 31 -8.886 -7.630 -7.958 1.00 0.00 N ATOM 464 CA LYS A 31 -9.991 -8.559 -7.768 1.00 0.00 C ATOM 465 C LYS A 31 -11.251 -7.808 -7.344 1.00 0.00 C ATOM 466 O LYS A 31 -12.352 -8.098 -7.813 1.00 0.00 O ATOM 467 CB LYS A 31 -9.630 -9.599 -6.704 1.00 0.00 C ATOM 468 CG LYS A 31 -10.720 -10.635 -6.471 1.00 0.00 C ATOM 469 CD LYS A 31 -10.922 -11.514 -7.693 1.00 0.00 C ATOM 470 CE LYS A 31 -9.751 -12.460 -7.899 1.00 0.00 C ATOM 471 NZ LYS A 31 -9.674 -13.491 -6.830 1.00 0.00 N ATOM 0 H LYS A 31 -8.086 -7.802 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.181 -9.065 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.714 -10.109 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.419 -9.088 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.457 -11.256 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.655 -10.132 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.841 -12.090 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.045 -10.888 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.846 -12.949 -8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.823 -11.889 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.024 -14.248 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.325 -13.056 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.620 -13.892 -6.665 1.00 0.00 H new ATOM 485 N MET A 32 -11.074 -6.839 -6.457 1.00 0.00 N ATOM 486 CA MET A 32 -12.188 -6.047 -5.949 1.00 0.00 C ATOM 487 C MET A 32 -12.670 -5.039 -6.989 1.00 0.00 C ATOM 488 O MET A 32 -13.823 -4.606 -6.957 1.00 0.00 O ATOM 489 CB MET A 32 -11.773 -5.314 -4.673 1.00 0.00 C ATOM 490 CG MET A 32 -11.394 -6.237 -3.528 1.00 0.00 C ATOM 491 SD MET A 32 -10.759 -5.336 -2.101 1.00 0.00 S ATOM 492 CE MET A 32 -12.151 -4.277 -1.714 1.00 0.00 C ATOM 0 H MET A 32 -10.165 -6.581 -6.072 1.00 0.00 H new ATOM 0 HA MET A 32 -13.009 -6.728 -5.726 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.927 -4.664 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.593 -4.671 -4.352 1.00 0.00 H new ATOM 0 HG2 MET A 32 -12.267 -6.818 -3.229 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.641 -6.947 -3.871 1.00 0.00 H new ATOM 0 HE1 MET A 32 -11.866 -3.573 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 32 -12.449 -3.727 -2.607 1.00 0.00 H new ATOM 0 HE3 MET A 32 -12.986 -4.886 -1.367 1.00 0.00 H new ATOM 502 N GLY A 33 -11.782 -4.672 -7.906 1.00 0.00 N ATOM 503 CA GLY A 33 -12.126 -3.715 -8.940 1.00 0.00 C ATOM 504 C GLY A 33 -11.792 -2.299 -8.527 1.00 0.00 C ATOM 505 O GLY A 33 -12.663 -1.427 -8.490 1.00 0.00 O ATOM 0 H GLY A 33 -10.825 -5.023 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.591 -3.962 -9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.191 -3.787 -9.163 1.00 0.00 H new ATOM 509 N ASN A 34 -10.525 -2.075 -8.214 1.00 0.00 N ATOM 510 CA ASN A 34 -10.080 -0.801 -7.670 1.00 0.00 C ATOM 511 C ASN A 34 -8.893 -0.255 -8.448 1.00 0.00 C ATOM 512 O ASN A 34 -8.398 -0.896 -9.377 1.00 0.00 O ATOM 513 CB ASN A 34 -9.685 -0.983 -6.206 1.00 0.00 C ATOM 514 CG ASN A 34 -10.850 -1.397 -5.331 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.960 -0.878 -5.460 1.00 0.00 O ATOM 516 ND2 ASN A 34 -10.614 -2.371 -4.469 1.00 0.00 N ATOM 0 H ASN A 34 -9.782 -2.764 -8.328 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.901 -0.089 -7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.899 -1.735 -6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.267 -0.050 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.367 -2.722 -3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.679 -2.772 -4.396 1.00 0.00 H new ATOM 523 N LEU A 35 -8.441 0.931 -8.059 1.00 0.00 N ATOM 524 CA LEU A 35 -7.264 1.549 -8.654 1.00 0.00 C ATOM 525 C LEU A 35 -6.168 1.645 -7.603 1.00 0.00 C ATOM 526 O LEU A 35 -6.259 2.454 -6.678 1.00 0.00 O ATOM 527 CB LEU A 35 -7.582 2.952 -9.200 1.00 0.00 C ATOM 528 CG LEU A 35 -8.342 3.006 -10.530 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.777 2.531 -10.367 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.309 4.418 -11.093 1.00 0.00 C ATOM 0 H LEU A 35 -8.878 1.489 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.934 0.931 -9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.165 3.487 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.644 3.494 -9.320 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.848 2.333 -11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.288 2.582 -11.328 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.781 1.502 -10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.292 3.168 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.852 4.446 -12.038 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.777 5.103 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.275 4.719 -11.260 1.00 0.00 H new ATOM 542 N ILE A 36 -5.141 0.823 -7.738 1.00 0.00 N ATOM 543 CA ILE A 36 -4.121 0.735 -6.715 1.00 0.00 C ATOM 544 C ILE A 36 -2.733 0.963 -7.297 1.00 0.00 C ATOM 545 O ILE A 36 -2.387 0.437 -8.357 1.00 0.00 O ATOM 546 CB ILE A 36 -4.172 -0.625 -5.980 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.211 -0.617 -4.786 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.847 -1.773 -6.933 1.00 0.00 C ATOM 549 CD1 ILE A 36 -3.248 -1.883 -3.957 1.00 0.00 C ATOM 0 H ILE A 36 -4.995 0.212 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.326 1.524 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.185 -0.779 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.195 -0.464 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.451 0.232 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.890 -2.718 -6.392 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.573 -1.787 -7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.846 -1.634 -7.342 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.540 -1.799 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.253 -2.029 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.978 -2.735 -4.581 1.00 0.00 H new ATOM 561 N LYS A 37 -1.955 1.779 -6.613 1.00 0.00 N ATOM 562 CA LYS A 37 -0.567 1.992 -6.970 1.00 0.00 C ATOM 563 C LYS A 37 0.338 1.512 -5.851 1.00 0.00 C ATOM 564 O LYS A 37 0.448 2.152 -4.804 1.00 0.00 O ATOM 565 CB LYS A 37 -0.301 3.455 -7.288 1.00 0.00 C ATOM 566 CG LYS A 37 -0.773 3.856 -8.672 1.00 0.00 C ATOM 567 CD LYS A 37 0.215 4.804 -9.307 1.00 0.00 C ATOM 568 CE LYS A 37 -0.144 5.129 -10.747 1.00 0.00 C ATOM 569 NZ LYS A 37 0.734 6.194 -11.298 1.00 0.00 N ATOM 0 H LYS A 37 -2.265 2.310 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.351 1.414 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.799 4.079 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.768 3.651 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.889 2.969 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.752 4.330 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.255 5.726 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.211 4.363 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.055 4.230 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.185 5.449 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.532 6.322 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.556 7.086 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.730 5.921 -11.176 1.00 0.00 H new ATOM 583 N VAL A 38 0.952 0.363 -6.063 1.00 0.00 N ATOM 584 CA VAL A 38 1.823 -0.224 -5.059 1.00 0.00 C ATOM 585 C VAL A 38 3.277 0.161 -5.304 1.00 0.00 C ATOM 586 O VAL A 38 3.810 -0.048 -6.392 1.00 0.00 O ATOM 587 CB VAL A 38 1.712 -1.760 -5.034 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.446 -2.327 -3.832 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.260 -2.203 -5.030 1.00 0.00 C ATOM 0 H VAL A 38 0.865 -0.183 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 38 1.497 0.169 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 38 2.179 -2.147 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.357 -3.413 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.499 -2.049 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.010 -1.926 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.212 -3.292 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.240 -1.803 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.236 -1.833 -5.927 1.00 0.00 H new ATOM 599 N GLU A 39 3.899 0.726 -4.289 1.00 0.00 N ATOM 600 CA GLU A 39 5.299 1.106 -4.346 1.00 0.00 C ATOM 601 C GLU A 39 6.159 0.013 -3.731 1.00 0.00 C ATOM 602 O GLU A 39 5.860 -0.485 -2.649 1.00 0.00 O ATOM 603 CB GLU A 39 5.511 2.428 -3.599 1.00 0.00 C ATOM 604 CG GLU A 39 6.964 2.855 -3.501 1.00 0.00 C ATOM 605 CD GLU A 39 7.116 4.245 -2.929 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.835 5.215 -3.658 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.529 4.372 -1.757 1.00 0.00 O ATOM 0 H GLU A 39 3.448 0.936 -3.398 1.00 0.00 H new ATOM 0 HA GLU A 39 5.591 1.238 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.946 3.212 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.102 2.335 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.507 2.146 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.418 2.820 -4.491 1.00 0.00 H new ATOM 614 N THR A 40 7.217 -0.370 -4.422 1.00 0.00 N ATOM 615 CA THR A 40 8.129 -1.371 -3.907 1.00 0.00 C ATOM 616 C THR A 40 9.440 -0.714 -3.503 1.00 0.00 C ATOM 617 O THR A 40 10.256 -0.364 -4.355 1.00 0.00 O ATOM 618 CB THR A 40 8.397 -2.467 -4.956 1.00 0.00 C ATOM 619 OG1 THR A 40 7.157 -2.917 -5.517 1.00 0.00 O ATOM 620 CG2 THR A 40 9.133 -3.647 -4.337 1.00 0.00 C ATOM 0 H THR A 40 7.465 -0.002 -5.341 1.00 0.00 H new ATOM 0 HA THR A 40 7.669 -1.836 -3.035 1.00 0.00 H new ATOM 0 HB THR A 40 9.023 -2.041 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.333 -3.613 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.309 -4.406 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.088 -3.309 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.530 -4.072 -3.535 1.00 0.00 H new ATOM 628 N GLN A 41 9.623 -0.513 -2.210 1.00 0.00 N ATOM 629 CA GLN A 41 10.822 0.130 -1.706 1.00 0.00 C ATOM 630 C GLN A 41 11.742 -0.921 -1.103 1.00 0.00 C ATOM 631 O GLN A 41 11.428 -1.527 -0.081 1.00 0.00 O ATOM 632 CB GLN A 41 10.439 1.201 -0.682 1.00 0.00 C ATOM 633 CG GLN A 41 11.558 2.176 -0.353 1.00 0.00 C ATOM 634 CD GLN A 41 11.039 3.493 0.203 1.00 0.00 C ATOM 635 OE1 GLN A 41 11.712 4.168 0.980 1.00 0.00 O ATOM 636 NE2 GLN A 41 9.835 3.875 -0.198 1.00 0.00 N ATOM 0 H GLN A 41 8.955 -0.787 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 41 11.356 0.622 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.584 1.761 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.117 0.711 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.232 1.720 0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.142 2.370 -1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.303 3.291 -0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.440 4.753 0.139 1.00 0.00 H new ATOM 645 N GLY A 42 12.862 -1.162 -1.763 1.00 0.00 N ATOM 646 CA GLY A 42 13.748 -2.223 -1.337 1.00 0.00 C ATOM 647 C GLY A 42 14.959 -1.709 -0.591 1.00 0.00 C ATOM 648 O GLY A 42 14.845 -1.177 0.512 1.00 0.00 O ATOM 0 H GLY A 42 13.173 -0.644 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.199 -2.914 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.077 -2.788 -2.209 1.00 0.00 H new ATOM 652 N ALA A 43 16.120 -1.845 -1.206 1.00 0.00 N ATOM 653 CA ALA A 43 17.369 -1.477 -0.558 1.00 0.00 C ATOM 654 C ALA A 43 17.718 -0.025 -0.853 1.00 0.00 C ATOM 655 O ALA A 43 18.491 0.260 -1.768 1.00 0.00 O ATOM 656 CB ALA A 43 18.491 -2.403 -0.998 1.00 0.00 C ATOM 0 H ALA A 43 16.226 -2.208 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 43 17.243 -1.583 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 43 19.418 -2.113 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 43 18.242 -3.430 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.619 -2.332 -2.078 1.00 0.00 H new ATOM 662 N THR A 44 17.099 0.882 -0.095 1.00 0.00 N ATOM 663 CA THR A 44 17.262 2.332 -0.265 1.00 0.00 C ATOM 664 C THR A 44 17.018 2.765 -1.712 1.00 0.00 C ATOM 665 O THR A 44 17.467 3.827 -2.146 1.00 0.00 O ATOM 666 CB THR A 44 18.645 2.833 0.221 1.00 0.00 C ATOM 667 OG1 THR A 44 19.710 2.082 -0.371 1.00 0.00 O ATOM 668 CG2 THR A 44 18.742 2.743 1.735 1.00 0.00 C ATOM 0 H THR A 44 16.464 0.631 0.662 1.00 0.00 H new ATOM 0 HA THR A 44 16.503 2.796 0.365 1.00 0.00 H new ATOM 0 HB THR A 44 18.742 3.874 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.391 1.653 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.720 3.099 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.964 3.359 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.612 1.707 2.047 1.00 0.00 H new ATOM 676 N GLY A 45 16.273 1.943 -2.437 1.00 0.00 N ATOM 677 CA GLY A 45 15.932 2.235 -3.808 1.00 0.00 C ATOM 678 C GLY A 45 14.497 1.862 -4.080 1.00 0.00 C ATOM 679 O GLY A 45 13.962 0.948 -3.446 1.00 0.00 O ATOM 0 H GLY A 45 15.894 1.063 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.084 3.295 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.592 1.685 -4.479 1.00 0.00 H new ATOM 683 N ILE A 46 13.860 2.560 -5.000 1.00 0.00 N ATOM 684 CA ILE A 46 12.442 2.354 -5.227 1.00 0.00 C ATOM 685 C ILE A 46 12.200 1.687 -6.575 1.00 0.00 C ATOM 686 O ILE A 46 12.716 2.137 -7.598 1.00 0.00 O ATOM 687 CB ILE A 46 11.641 3.676 -5.198 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.359 4.764 -4.385 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.255 3.420 -4.629 1.00 0.00 C ATOM 690 CD1 ILE A 46 12.441 4.492 -2.898 1.00 0.00 C ATOM 0 H ILE A 46 14.294 3.265 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 46 12.098 1.714 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 46 11.556 4.041 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.370 4.882 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.845 5.713 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.692 4.353 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.734 2.695 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.344 3.029 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.964 5.312 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.435 4.405 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.984 3.562 -2.728 1.00 0.00 H new ATOM 702 N GLU A 47 11.403 0.626 -6.571 1.00 0.00 N ATOM 703 CA GLU A 47 11.038 -0.065 -7.798 1.00 0.00 C ATOM 704 C GLU A 47 9.926 0.704 -8.503 1.00 0.00 C ATOM 705 O GLU A 47 10.006 0.997 -9.695 1.00 0.00 O ATOM 706 CB GLU A 47 10.572 -1.487 -7.474 1.00 0.00 C ATOM 707 CG GLU A 47 10.241 -2.325 -8.699 1.00 0.00 C ATOM 708 CD GLU A 47 11.468 -2.689 -9.503 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.879 -1.890 -10.365 1.00 0.00 O ATOM 710 OE2 GLU A 47 12.034 -3.778 -9.269 1.00 0.00 O ATOM 0 H GLU A 47 10.996 0.225 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 47 11.906 -0.121 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.350 -1.991 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.691 -1.433 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.734 -3.237 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.545 -1.776 -9.333 1.00 0.00 H new ATOM 717 N ASN A 48 8.896 1.047 -7.742 1.00 0.00 N ATOM 718 CA ASN A 48 7.759 1.787 -8.269 1.00 0.00 C ATOM 719 C ASN A 48 7.462 2.975 -7.371 1.00 0.00 C ATOM 720 O ASN A 48 6.574 2.909 -6.529 1.00 0.00 O ATOM 721 CB ASN A 48 6.519 0.890 -8.354 1.00 0.00 C ATOM 722 CG ASN A 48 5.353 1.554 -9.068 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.213 1.449 -10.285 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.505 2.236 -8.316 1.00 0.00 N ATOM 0 H ASN A 48 8.825 0.822 -6.750 1.00 0.00 H new ATOM 0 HA ASN A 48 8.008 2.135 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.779 -0.032 -8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.210 0.611 -7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.702 2.697 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.654 2.301 -7.309 1.00 0.00 H new ATOM 731 N GLU A 49 8.230 4.039 -7.521 1.00 0.00 N ATOM 732 CA GLU A 49 8.062 5.207 -6.671 1.00 0.00 C ATOM 733 C GLU A 49 6.818 5.994 -7.055 1.00 0.00 C ATOM 734 O GLU A 49 6.631 6.371 -8.216 1.00 0.00 O ATOM 735 CB GLU A 49 9.308 6.093 -6.701 1.00 0.00 C ATOM 736 CG GLU A 49 9.763 6.472 -8.089 1.00 0.00 C ATOM 737 CD GLU A 49 11.057 7.252 -8.065 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.008 8.486 -7.877 1.00 0.00 O ATOM 739 OE2 GLU A 49 12.132 6.634 -8.216 1.00 0.00 O ATOM 0 H GLU A 49 8.971 4.120 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 49 7.927 4.856 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.107 7.003 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.121 5.575 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.894 5.570 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.990 7.067 -8.575 1.00 0.00 H new ATOM 746 N LEU A 50 5.958 6.211 -6.074 1.00 0.00 N ATOM 747 CA LEU A 50 4.714 6.929 -6.289 1.00 0.00 C ATOM 748 C LEU A 50 4.978 8.422 -6.404 1.00 0.00 C ATOM 749 O LEU A 50 5.926 8.943 -5.812 1.00 0.00 O ATOM 750 CB LEU A 50 3.739 6.654 -5.140 1.00 0.00 C ATOM 751 CG LEU A 50 3.445 5.175 -4.878 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.487 5.023 -3.708 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.879 4.514 -6.125 1.00 0.00 C ATOM 0 H LEU A 50 6.101 5.897 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 50 4.268 6.580 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.142 7.095 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.799 7.163 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 50 4.380 4.677 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.289 3.965 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.932 5.459 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.552 5.535 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.676 3.463 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.953 5.013 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.601 4.592 -6.938 1.00 0.00 H new ATOM 765 N THR A 51 4.150 9.107 -7.175 1.00 0.00 N ATOM 766 CA THR A 51 4.286 10.539 -7.334 1.00 0.00 C ATOM 767 C THR A 51 3.176 11.257 -6.575 1.00 0.00 C ATOM 768 O THR A 51 2.255 10.616 -6.065 1.00 0.00 O ATOM 769 CB THR A 51 4.284 10.954 -8.820 1.00 0.00 C ATOM 770 OG1 THR A 51 3.070 10.547 -9.470 1.00 0.00 O ATOM 771 CG2 THR A 51 5.474 10.351 -9.548 1.00 0.00 C ATOM 0 H THR A 51 3.379 8.692 -7.698 1.00 0.00 H new ATOM 0 HA THR A 51 5.250 10.831 -6.918 1.00 0.00 H new ATOM 0 HB THR A 51 4.354 12.041 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.972 9.574 -9.400 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.453 10.656 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.398 10.700 -9.086 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.426 9.264 -9.486 1.00 0.00 H new ATOM 779 N GLU A 52 3.262 12.579 -6.509 1.00 0.00 N ATOM 780 CA GLU A 52 2.336 13.375 -5.712 1.00 0.00 C ATOM 781 C GLU A 52 0.894 13.163 -6.167 1.00 0.00 C ATOM 782 O GLU A 52 -0.014 13.027 -5.345 1.00 0.00 O ATOM 783 CB GLU A 52 2.695 14.855 -5.818 1.00 0.00 C ATOM 784 CG GLU A 52 2.187 15.683 -4.653 1.00 0.00 C ATOM 785 CD GLU A 52 2.944 15.392 -3.376 1.00 0.00 C ATOM 786 OE1 GLU A 52 2.754 14.306 -2.794 1.00 0.00 O ATOM 787 OE2 GLU A 52 3.749 16.249 -2.952 1.00 0.00 O ATOM 0 H GLU A 52 3.968 13.126 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 52 2.420 13.052 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.779 14.955 -5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.285 15.255 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.278 16.742 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.127 15.481 -4.500 1.00 0.00 H new ATOM 794 N LYS A 53 0.695 13.126 -7.480 1.00 0.00 N ATOM 795 CA LYS A 53 -0.634 12.956 -8.051 1.00 0.00 C ATOM 796 C LYS A 53 -1.276 11.647 -7.586 1.00 0.00 C ATOM 797 O LYS A 53 -2.462 11.610 -7.282 1.00 0.00 O ATOM 798 CB LYS A 53 -0.570 13.003 -9.584 1.00 0.00 C ATOM 799 CG LYS A 53 0.255 11.883 -10.203 1.00 0.00 C ATOM 800 CD LYS A 53 0.355 11.996 -11.720 1.00 0.00 C ATOM 801 CE LYS A 53 -0.994 11.831 -12.410 1.00 0.00 C ATOM 802 NZ LYS A 53 -1.764 13.104 -12.467 1.00 0.00 N ATOM 0 H LYS A 53 1.441 13.212 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.256 13.779 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.584 12.956 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.151 13.961 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.257 11.896 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.190 10.923 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.776 12.967 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.045 11.238 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.838 11.459 -13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.580 11.079 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.644 13.002 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.194 13.873 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.993 13.327 -13.457 1.00 0.00 H new ATOM 816 N ASP A 54 -0.477 10.588 -7.503 1.00 0.00 N ATOM 817 CA ASP A 54 -0.986 9.272 -7.122 1.00 0.00 C ATOM 818 C ASP A 54 -1.427 9.294 -5.674 1.00 0.00 C ATOM 819 O ASP A 54 -2.483 8.774 -5.310 1.00 0.00 O ATOM 820 CB ASP A 54 0.087 8.191 -7.292 1.00 0.00 C ATOM 821 CG ASP A 54 0.761 8.214 -8.648 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.059 8.142 -9.675 1.00 0.00 O ATOM 823 OD2 ASP A 54 2.009 8.297 -8.689 1.00 0.00 O ATOM 0 H ASP A 54 0.525 10.614 -7.694 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.829 9.039 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.843 8.317 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.367 7.212 -7.138 1.00 0.00 H new ATOM 828 N VAL A 55 -0.601 9.923 -4.865 1.00 0.00 N ATOM 829 CA VAL A 55 -0.815 10.007 -3.437 1.00 0.00 C ATOM 830 C VAL A 55 -2.102 10.751 -3.100 1.00 0.00 C ATOM 831 O VAL A 55 -2.878 10.320 -2.247 1.00 0.00 O ATOM 832 CB VAL A 55 0.376 10.719 -2.782 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.105 11.003 -1.319 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.632 9.882 -2.952 1.00 0.00 C ATOM 0 H VAL A 55 0.245 10.395 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.906 8.991 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 55 0.525 11.679 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.966 11.508 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.774 11.641 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.072 10.065 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.475 10.392 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.489 8.910 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.835 9.742 -4.014 1.00 0.00 H new ATOM 844 N ASN A 56 -2.323 11.861 -3.784 1.00 0.00 N ATOM 845 CA ASN A 56 -3.462 12.724 -3.498 1.00 0.00 C ATOM 846 C ASN A 56 -4.750 12.164 -4.098 1.00 0.00 C ATOM 847 O ASN A 56 -5.846 12.629 -3.783 1.00 0.00 O ATOM 848 CB ASN A 56 -3.183 14.137 -4.008 1.00 0.00 C ATOM 849 CG ASN A 56 -2.131 14.842 -3.172 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.076 14.680 -1.952 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.265 15.599 -3.819 1.00 0.00 N ATOM 0 H ASN A 56 -1.727 12.189 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.603 12.764 -2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.851 14.090 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.106 14.717 -3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.520 16.072 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.341 15.711 -4.830 1.00 0.00 H new ATOM 858 N ILE A 57 -4.612 11.164 -4.959 1.00 0.00 N ATOM 859 CA ILE A 57 -5.766 10.454 -5.495 1.00 0.00 C ATOM 860 C ILE A 57 -6.142 9.294 -4.576 1.00 0.00 C ATOM 861 O ILE A 57 -7.319 9.070 -4.295 1.00 0.00 O ATOM 862 CB ILE A 57 -5.503 9.931 -6.929 1.00 0.00 C ATOM 863 CG1 ILE A 57 -5.416 11.101 -7.912 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.590 8.956 -7.362 1.00 0.00 C ATOM 865 CD1 ILE A 57 -5.080 10.687 -9.329 1.00 0.00 C ATOM 0 H ILE A 57 -3.712 10.826 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.595 11.160 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.551 9.399 -6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.368 11.632 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.660 11.803 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.381 8.604 -8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.610 8.107 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.557 9.458 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.036 11.571 -9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.114 10.183 -9.341 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.848 10.009 -9.702 1.00 0.00 H new ATOM 877 N GLY A 58 -5.132 8.572 -4.102 1.00 0.00 N ATOM 878 CA GLY A 58 -5.362 7.449 -3.209 1.00 0.00 C ATOM 879 C GLY A 58 -6.080 7.840 -1.927 1.00 0.00 C ATOM 880 O GLY A 58 -5.685 8.789 -1.240 1.00 0.00 O ATOM 0 H GLY A 58 -4.151 8.746 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.949 6.693 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.405 6.992 -2.957 1.00 0.00 H new ATOM 884 N GLU A 59 -7.125 7.092 -1.607 1.00 0.00 N ATOM 885 CA GLU A 59 -7.931 7.332 -0.420 1.00 0.00 C ATOM 886 C GLU A 59 -7.194 6.855 0.827 1.00 0.00 C ATOM 887 O GLU A 59 -6.987 7.616 1.770 1.00 0.00 O ATOM 888 CB GLU A 59 -9.271 6.595 -0.540 1.00 0.00 C ATOM 889 CG GLU A 59 -10.118 7.025 -1.730 1.00 0.00 C ATOM 890 CD GLU A 59 -10.818 8.349 -1.504 1.00 0.00 C ATOM 891 OE1 GLU A 59 -10.235 9.399 -1.835 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.959 8.339 -0.995 1.00 0.00 O ATOM 0 H GLU A 59 -7.439 6.298 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.114 8.403 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.078 5.525 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.843 6.754 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.484 7.101 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.862 6.256 -1.937 1.00 0.00 H new ATOM 899 N VAL A 60 -6.794 5.592 0.818 1.00 0.00 N ATOM 900 CA VAL A 60 -6.094 5.000 1.947 1.00 0.00 C ATOM 901 C VAL A 60 -4.699 4.554 1.539 1.00 0.00 C ATOM 902 O VAL A 60 -4.452 4.251 0.369 1.00 0.00 O ATOM 903 CB VAL A 60 -6.864 3.796 2.534 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.163 4.251 3.177 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.140 2.759 1.455 1.00 0.00 C ATOM 0 H VAL A 60 -6.944 4.955 0.036 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.022 5.770 2.716 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.243 3.337 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.689 3.388 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.944 4.955 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.788 4.738 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.683 1.919 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.739 3.209 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.196 2.406 1.040 1.00 0.00 H new ATOM 915 N VAL A 61 -3.788 4.538 2.501 1.00 0.00 N ATOM 916 CA VAL A 61 -2.416 4.125 2.254 1.00 0.00 C ATOM 917 C VAL A 61 -2.084 2.886 3.067 1.00 0.00 C ATOM 918 O VAL A 61 -2.187 2.895 4.287 1.00 0.00 O ATOM 919 CB VAL A 61 -1.410 5.230 2.630 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.033 4.909 2.071 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.888 6.591 2.157 1.00 0.00 C ATOM 0 H VAL A 61 -3.977 4.808 3.466 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.335 3.917 1.187 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.337 5.267 3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.665 5.700 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.314 3.960 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.089 4.836 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.158 7.350 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.003 6.580 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.847 6.821 2.621 1.00 0.00 H new ATOM 931 N ILE A 62 -1.690 1.825 2.401 1.00 0.00 N ATOM 932 CA ILE A 62 -1.310 0.607 3.096 1.00 0.00 C ATOM 933 C ILE A 62 0.206 0.500 3.163 1.00 0.00 C ATOM 934 O ILE A 62 0.893 0.699 2.163 1.00 0.00 O ATOM 935 CB ILE A 62 -1.896 -0.666 2.423 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.417 -0.753 2.622 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.228 -1.925 2.962 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.212 0.213 1.771 1.00 0.00 C ATOM 0 H ILE A 62 -1.623 1.776 1.384 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.725 0.666 4.102 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.692 -0.591 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.743 -1.769 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.646 -0.568 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.656 -2.801 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.158 -1.884 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.392 -1.992 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.276 0.086 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.917 1.235 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.017 0.015 0.717 1.00 0.00 H new ATOM 950 N PHE A 63 0.726 0.211 4.343 1.00 0.00 N ATOM 951 CA PHE A 63 2.154 0.044 4.521 1.00 0.00 C ATOM 952 C PHE A 63 2.489 -1.380 4.916 1.00 0.00 C ATOM 953 O PHE A 63 2.055 -1.866 5.957 1.00 0.00 O ATOM 954 CB PHE A 63 2.701 1.003 5.578 1.00 0.00 C ATOM 955 CG PHE A 63 2.762 2.428 5.129 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.799 2.863 4.323 1.00 0.00 C ATOM 957 CD2 PHE A 63 1.790 3.335 5.514 1.00 0.00 C ATOM 958 CE1 PHE A 63 3.865 4.175 3.906 1.00 0.00 C ATOM 959 CE2 PHE A 63 1.850 4.648 5.102 1.00 0.00 C ATOM 960 CZ PHE A 63 2.890 5.068 4.297 1.00 0.00 C ATOM 0 H PHE A 63 0.177 0.087 5.194 1.00 0.00 H new ATOM 0 HA PHE A 63 2.623 0.271 3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.077 0.940 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.702 0.680 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.566 2.166 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.976 3.010 6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.678 4.503 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.086 5.347 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.940 6.097 3.973 1.00 0.00 H new ATOM 970 N ALA A 64 3.241 -2.043 4.067 1.00 0.00 N ATOM 971 CA ALA A 64 3.815 -3.329 4.399 1.00 0.00 C ATOM 972 C ALA A 64 5.323 -3.165 4.430 1.00 0.00 C ATOM 973 O ALA A 64 5.990 -3.303 3.406 1.00 0.00 O ATOM 974 CB ALA A 64 3.395 -4.381 3.381 1.00 0.00 C ATOM 0 H ALA A 64 3.472 -1.709 3.131 1.00 0.00 H new ATOM 0 HA ALA A 64 3.459 -3.668 5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.836 -5.341 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.309 -4.470 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.739 -4.086 2.390 1.00 0.00 H new ATOM 980 N VAL A 65 5.860 -2.831 5.593 1.00 0.00 N ATOM 981 CA VAL A 65 7.244 -2.391 5.659 1.00 0.00 C ATOM 982 C VAL A 65 8.043 -3.065 6.767 1.00 0.00 C ATOM 983 O VAL A 65 7.584 -3.223 7.899 1.00 0.00 O ATOM 984 CB VAL A 65 7.351 -0.859 5.818 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.852 -0.154 4.563 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.582 -0.381 7.042 1.00 0.00 C ATOM 0 H VAL A 65 5.370 -2.855 6.487 1.00 0.00 H new ATOM 0 HA VAL A 65 7.679 -2.691 4.706 1.00 0.00 H new ATOM 0 HB VAL A 65 8.402 -0.608 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.935 0.925 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.454 -0.463 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.809 -0.419 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.674 0.702 7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.530 -0.648 6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.990 -0.854 7.935 1.00 0.00 H new ATOM 996 N ASP A 66 9.245 -3.468 6.394 1.00 0.00 N ATOM 997 CA ASP A 66 10.240 -3.999 7.316 1.00 0.00 C ATOM 998 C ASP A 66 11.263 -2.914 7.632 1.00 0.00 C ATOM 999 O ASP A 66 11.914 -2.923 8.678 1.00 0.00 O ATOM 1000 CB ASP A 66 10.920 -5.221 6.680 1.00 0.00 C ATOM 1001 CG ASP A 66 12.290 -5.535 7.258 1.00 0.00 C ATOM 1002 OD1 ASP A 66 12.365 -6.256 8.276 1.00 0.00 O ATOM 1003 OD2 ASP A 66 13.303 -5.084 6.680 1.00 0.00 O ATOM 0 H ASP A 66 9.565 -3.436 5.426 1.00 0.00 H new ATOM 0 HA ASP A 66 9.763 -4.310 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.275 -6.090 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.019 -5.052 5.608 1.00 0.00 H new ATOM 1008 N THR A 67 11.366 -1.956 6.723 1.00 0.00 N ATOM 1009 CA THR A 67 12.332 -0.880 6.845 1.00 0.00 C ATOM 1010 C THR A 67 11.623 0.476 6.762 1.00 0.00 C ATOM 1011 O THR A 67 10.392 0.542 6.813 1.00 0.00 O ATOM 1012 CB THR A 67 13.425 -0.998 5.749 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.469 -0.035 5.959 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.832 -0.817 4.356 1.00 0.00 C ATOM 0 H THR A 67 10.785 -1.904 5.886 1.00 0.00 H new ATOM 0 HA THR A 67 12.820 -0.958 7.816 1.00 0.00 H new ATOM 0 HB THR A 67 13.849 -2.000 5.820 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.147 -0.129 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.622 -0.905 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.078 -1.584 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.371 0.168 4.282 1.00 0.00 H new ATOM 1022 N LYS A 68 12.400 1.541 6.653 1.00 0.00 N ATOM 1023 CA LYS A 68 11.869 2.895 6.588 1.00 0.00 C ATOM 1024 C LYS A 68 11.530 3.265 5.145 1.00 0.00 C ATOM 1025 O LYS A 68 12.175 2.788 4.211 1.00 0.00 O ATOM 1026 CB LYS A 68 12.909 3.873 7.141 1.00 0.00 C ATOM 1027 CG LYS A 68 12.469 5.329 7.141 1.00 0.00 C ATOM 1028 CD LYS A 68 13.667 6.260 7.245 1.00 0.00 C ATOM 1029 CE LYS A 68 14.546 6.169 6.006 1.00 0.00 C ATOM 1030 NZ LYS A 68 15.814 6.928 6.160 1.00 0.00 N ATOM 0 H LYS A 68 13.418 1.492 6.607 1.00 0.00 H new ATOM 0 HA LYS A 68 10.958 2.949 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.157 3.582 8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.823 3.783 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.914 5.545 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.791 5.508 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.323 7.286 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.252 6.006 8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.773 5.123 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.998 6.552 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.380 6.838 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.600 7.931 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.351 6.547 6.965 1.00 0.00 H new ATOM 1044 N VAL A 69 10.518 4.108 4.965 1.00 0.00 N ATOM 1045 CA VAL A 69 10.163 4.592 3.637 1.00 0.00 C ATOM 1046 C VAL A 69 10.262 6.112 3.588 1.00 0.00 C ATOM 1047 O VAL A 69 9.941 6.798 4.560 1.00 0.00 O ATOM 1048 CB VAL A 69 8.743 4.154 3.205 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.610 2.644 3.242 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.677 4.799 4.072 1.00 0.00 C ATOM 0 H VAL A 69 9.932 4.468 5.718 1.00 0.00 H new ATOM 0 HA VAL A 69 10.872 4.147 2.939 1.00 0.00 H new ATOM 0 HB VAL A 69 8.593 4.492 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.604 2.360 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.337 2.198 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.794 2.287 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.692 4.470 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.828 4.507 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.745 5.883 3.986 1.00 0.00 H new ATOM 1060 N ARG A 70 10.715 6.637 2.457 1.00 0.00 N ATOM 1061 CA ARG A 70 10.877 8.080 2.300 1.00 0.00 C ATOM 1062 C ARG A 70 9.530 8.765 2.068 1.00 0.00 C ATOM 1063 O ARG A 70 9.309 9.892 2.506 1.00 0.00 O ATOM 1064 CB ARG A 70 11.822 8.393 1.129 1.00 0.00 C ATOM 1065 CG ARG A 70 11.228 8.086 -0.241 1.00 0.00 C ATOM 1066 CD ARG A 70 12.134 8.545 -1.372 1.00 0.00 C ATOM 1067 NE ARG A 70 11.438 8.525 -2.659 1.00 0.00 N ATOM 1068 CZ ARG A 70 12.050 8.488 -3.845 1.00 0.00 C ATOM 1069 NH1 ARG A 70 13.375 8.437 -3.918 1.00 0.00 N ATOM 1070 NH2 ARG A 70 11.332 8.490 -4.960 1.00 0.00 N ATOM 0 H ARG A 70 10.976 6.090 1.637 1.00 0.00 H new ATOM 0 HA ARG A 70 11.309 8.465 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.096 9.447 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.741 7.820 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.054 7.013 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.258 8.574 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.492 9.554 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.011 7.900 -1.422 1.00 0.00 H new ATOM 0 HE ARG A 70 10.418 8.540 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.933 8.426 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.835 8.409 -4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.314 8.520 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.798 8.462 -5.867 1.00 0.00 H new ATOM 1084 N ASN A 71 8.621 8.066 1.399 1.00 0.00 N ATOM 1085 CA ASN A 71 7.391 8.681 0.909 1.00 0.00 C ATOM 1086 C ASN A 71 6.305 8.780 1.972 1.00 0.00 C ATOM 1087 O ASN A 71 5.274 9.415 1.740 1.00 0.00 O ATOM 1088 CB ASN A 71 6.870 7.951 -0.330 1.00 0.00 C ATOM 1089 CG ASN A 71 7.625 8.367 -1.578 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.124 9.490 -1.666 1.00 0.00 O ATOM 1091 ND2 ASN A 71 7.716 7.479 -2.549 1.00 0.00 N ATOM 0 H ASN A 71 8.711 7.073 1.183 1.00 0.00 H new ATOM 0 HA ASN A 71 7.650 9.704 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.966 6.875 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.808 8.162 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.213 7.713 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.290 6.559 -2.440 1.00 0.00 H new ATOM 1098 N LYS A 72 6.534 8.179 3.141 1.00 0.00 N ATOM 1099 CA LYS A 72 5.568 8.261 4.242 1.00 0.00 C ATOM 1100 C LYS A 72 5.363 9.716 4.635 1.00 0.00 C ATOM 1101 O LYS A 72 4.342 10.076 5.212 1.00 0.00 O ATOM 1102 CB LYS A 72 6.024 7.449 5.459 1.00 0.00 C ATOM 1103 CG LYS A 72 4.946 7.305 6.526 1.00 0.00 C ATOM 1104 CD LYS A 72 5.432 6.496 7.717 1.00 0.00 C ATOM 1105 CE LYS A 72 4.302 6.209 8.696 1.00 0.00 C ATOM 1106 NZ LYS A 72 4.778 5.471 9.898 1.00 0.00 N ATOM 0 H LYS A 72 7.371 7.635 3.351 1.00 0.00 H new ATOM 0 HA LYS A 72 4.626 7.836 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.334 6.457 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.899 7.927 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.633 8.294 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.069 6.823 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.861 5.556 7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.227 7.040 8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.843 7.148 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.528 5.626 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.187 5.722 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.713 4.448 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.767 5.727 10.093 1.00 0.00 H new ATOM 1120 N GLU A 73 6.362 10.528 4.312 1.00 0.00 N ATOM 1121 CA GLU A 73 6.328 11.971 4.514 1.00 0.00 C ATOM 1122 C GLU A 73 4.962 12.565 4.154 1.00 0.00 C ATOM 1123 O GLU A 73 4.354 13.268 4.960 1.00 0.00 O ATOM 1124 CB GLU A 73 7.419 12.603 3.649 1.00 0.00 C ATOM 1125 CG GLU A 73 7.536 14.106 3.783 1.00 0.00 C ATOM 1126 CD GLU A 73 7.977 14.532 5.166 1.00 0.00 C ATOM 1127 OE1 GLU A 73 9.192 14.461 5.451 1.00 0.00 O ATOM 1128 OE2 GLU A 73 7.115 14.934 5.969 1.00 0.00 O ATOM 0 H GLU A 73 7.232 10.197 3.896 1.00 0.00 H new ATOM 0 HA GLU A 73 6.502 12.183 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.377 12.152 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.224 12.358 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.249 14.479 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.573 14.564 3.555 1.00 0.00 H new ATOM 1135 N ARG A 74 4.474 12.271 2.953 1.00 0.00 N ATOM 1136 CA ARG A 74 3.201 12.816 2.508 1.00 0.00 C ATOM 1137 C ARG A 74 2.017 11.995 3.024 1.00 0.00 C ATOM 1138 O ARG A 74 0.947 12.544 3.288 1.00 0.00 O ATOM 1139 CB ARG A 74 3.186 12.889 0.989 1.00 0.00 C ATOM 1140 CG ARG A 74 3.278 11.539 0.309 1.00 0.00 C ATOM 1141 CD ARG A 74 3.707 11.700 -1.128 1.00 0.00 C ATOM 1142 NE ARG A 74 5.156 11.679 -1.288 1.00 0.00 N ATOM 1143 CZ ARG A 74 5.786 12.225 -2.327 1.00 0.00 C ATOM 1144 NH1 ARG A 74 5.120 12.984 -3.190 1.00 0.00 N ATOM 1145 NH2 ARG A 74 7.092 12.047 -2.482 1.00 0.00 N ATOM 0 H ARG A 74 4.938 11.664 2.277 1.00 0.00 H new ATOM 0 HA ARG A 74 3.094 13.819 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.270 13.385 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.018 13.510 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.990 10.906 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.312 11.037 0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.268 10.901 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.316 12.640 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 74 5.716 11.223 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.122 13.151 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.606 13.400 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.615 11.491 -1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.573 12.466 -3.278 1.00 0.00 H new ATOM 1159 N PHE A 75 2.203 10.681 3.171 1.00 0.00 N ATOM 1160 CA PHE A 75 1.162 9.814 3.715 1.00 0.00 C ATOM 1161 C PHE A 75 0.913 10.113 5.195 1.00 0.00 C ATOM 1162 O PHE A 75 -0.021 9.585 5.796 1.00 0.00 O ATOM 1163 CB PHE A 75 1.558 8.347 3.552 1.00 0.00 C ATOM 1164 CG PHE A 75 1.893 7.954 2.141 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.022 8.225 1.102 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.078 7.298 1.861 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.329 7.849 -0.190 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.392 6.923 0.572 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.516 7.198 -0.456 1.00 0.00 C ATOM 0 H PHE A 75 3.065 10.197 2.920 1.00 0.00 H new ATOM 0 HA PHE A 75 0.243 10.008 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.418 8.141 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.741 7.720 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.092 8.736 1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.767 7.077 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.640 8.064 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.323 6.415 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.758 6.905 -1.467 1.00 0.00 H new ATOM 1179 N ASP A 76 1.768 10.949 5.773 1.00 0.00 N ATOM 1180 CA ASP A 76 1.643 11.360 7.167 1.00 0.00 C ATOM 1181 C ASP A 76 0.291 12.019 7.417 1.00 0.00 C ATOM 1182 O ASP A 76 -0.373 11.742 8.416 1.00 0.00 O ATOM 1183 CB ASP A 76 2.771 12.331 7.520 1.00 0.00 C ATOM 1184 CG ASP A 76 2.766 12.741 8.976 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.110 13.751 9.312 1.00 0.00 O ATOM 1186 OD2 ASP A 76 3.442 12.070 9.786 1.00 0.00 O ATOM 0 H ASP A 76 2.566 11.361 5.290 1.00 0.00 H new ATOM 0 HA ASP A 76 1.715 10.475 7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.729 11.868 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.684 13.222 6.897 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.124 12.869 6.486 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.400 13.543 6.612 1.00 0.00 C ATOM 1193 C GLY A 77 -2.492 12.832 5.846 1.00 0.00 C ATOM 1194 O GLY A 77 -3.324 13.468 5.193 1.00 0.00 O ATOM 0 H GLY A 77 0.402 13.103 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.676 13.604 7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.308 14.566 6.247 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.487 11.509 5.917 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.464 10.695 5.212 1.00 0.00 C ATOM 1200 C LYS A 78 -3.907 9.531 6.086 1.00 0.00 C ATOM 1201 O LYS A 78 -3.395 9.343 7.192 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.878 10.166 3.898 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.582 11.252 2.875 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.050 10.676 1.572 1.00 0.00 C ATOM 1205 CE LYS A 78 -3.049 9.738 0.910 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.358 10.396 0.649 1.00 0.00 N ATOM 0 H LYS A 78 -1.811 10.973 6.461 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.328 11.318 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.958 9.623 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.575 9.450 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.491 11.820 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.853 11.950 3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.809 11.490 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.122 10.138 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.634 9.375 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.204 8.868 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.852 9.894 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.938 10.369 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.200 11.385 0.369 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.853 8.752 5.587 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.338 7.585 6.309 1.00 0.00 C ATOM 1222 C VAL A 79 -4.553 6.359 5.879 1.00 0.00 C ATOM 1223 O VAL A 79 -4.560 5.996 4.703 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.841 7.341 6.063 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.326 6.142 6.863 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.648 8.584 6.410 1.00 0.00 C ATOM 0 H VAL A 79 -5.301 8.906 4.684 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.197 7.771 7.374 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.986 7.125 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.388 5.986 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.770 5.254 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.167 6.325 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.706 8.393 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.498 8.834 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.319 9.417 5.788 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.860 5.729 6.815 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.992 4.618 6.467 1.00 0.00 C ATOM 1238 C VAL A 80 -3.295 3.379 7.306 1.00 0.00 C ATOM 1239 O VAL A 80 -3.926 3.459 8.361 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.492 4.979 6.622 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -1.199 6.362 6.058 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -1.042 4.876 8.072 1.00 0.00 C ATOM 0 H VAL A 80 -3.881 5.964 7.807 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.194 4.398 5.419 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.919 4.252 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.140 6.588 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.455 6.385 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.793 7.105 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.014 5.136 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.627 5.562 8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.190 3.856 8.427 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.841 2.242 6.806 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.927 0.975 7.509 1.00 0.00 C ATOM 1254 C LEU A 81 -1.568 0.286 7.399 1.00 0.00 C ATOM 1255 O LEU A 81 -1.174 -0.159 6.321 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.058 0.120 6.904 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.460 -1.151 7.673 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.448 -2.269 7.469 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.630 -0.850 9.155 1.00 0.00 C ATOM 0 H LEU A 81 -2.397 2.173 5.890 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.166 1.122 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.942 0.749 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.760 -0.173 5.897 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.416 -1.490 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.763 -3.151 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.384 -2.513 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.471 -1.945 7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.914 -1.761 9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.690 -0.475 9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.408 -0.098 9.287 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.843 0.234 8.507 1.00 0.00 N ATOM 1272 CA GLU A 82 0.528 -0.263 8.503 1.00 0.00 C ATOM 1273 C GLU A 82 0.615 -1.634 9.164 1.00 0.00 C ATOM 1274 O GLU A 82 0.194 -1.810 10.311 1.00 0.00 O ATOM 1275 CB GLU A 82 1.446 0.737 9.217 1.00 0.00 C ATOM 1276 CG GLU A 82 2.923 0.369 9.178 1.00 0.00 C ATOM 1277 CD GLU A 82 3.796 1.428 9.820 1.00 0.00 C ATOM 1278 OE1 GLU A 82 3.828 1.502 11.069 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.449 2.195 9.088 1.00 0.00 O ATOM 0 H GLU A 82 -1.181 0.530 9.423 1.00 0.00 H new ATOM 0 HA GLU A 82 0.854 -0.370 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.316 1.720 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.132 0.822 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.072 -0.581 9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.232 0.225 8.143 1.00 0.00 H new ATOM 1286 N VAL A 83 1.160 -2.598 8.430 1.00 0.00 N ATOM 1287 CA VAL A 83 1.294 -3.972 8.903 1.00 0.00 C ATOM 1288 C VAL A 83 2.650 -4.551 8.488 1.00 0.00 C ATOM 1289 O VAL A 83 3.372 -3.936 7.700 1.00 0.00 O ATOM 1290 CB VAL A 83 0.169 -4.875 8.341 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.165 -4.555 8.997 1.00 0.00 C ATOM 1292 CG2 VAL A 83 0.073 -4.733 6.826 1.00 0.00 C ATOM 0 H VAL A 83 1.522 -2.449 7.488 1.00 0.00 H new ATOM 0 HA VAL A 83 1.218 -3.950 9.990 1.00 0.00 H new ATOM 0 HB VAL A 83 0.418 -5.910 8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.938 -5.203 8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.090 -4.718 10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.424 -3.514 8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.723 -5.375 6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.146 -3.696 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.020 -5.026 6.372 1.00 0.00 H new ATOM 1302 N PRO A 84 3.024 -5.732 9.023 1.00 0.00 N ATOM 1303 CA PRO A 84 4.231 -6.446 8.592 1.00 0.00 C ATOM 1304 C PRO A 84 4.157 -6.814 7.116 1.00 0.00 C ATOM 1305 O PRO A 84 3.073 -7.065 6.589 1.00 0.00 O ATOM 1306 CB PRO A 84 4.244 -7.709 9.463 1.00 0.00 C ATOM 1307 CG PRO A 84 3.372 -7.386 10.626 1.00 0.00 C ATOM 1308 CD PRO A 84 2.321 -6.454 10.099 1.00 0.00 C ATOM 0 HA PRO A 84 5.132 -5.842 8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.865 -8.571 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.256 -7.956 9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.923 -8.288 11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.945 -6.918 11.427 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.454 -6.996 9.721 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.960 -5.775 10.872 1.00 0.00 H new ATOM 1316 N VAL A 85 5.308 -6.856 6.456 1.00 0.00 N ATOM 1317 CA VAL A 85 5.366 -7.098 5.017 1.00 0.00 C ATOM 1318 C VAL A 85 4.787 -8.470 4.644 1.00 0.00 C ATOM 1319 O VAL A 85 4.257 -8.651 3.549 1.00 0.00 O ATOM 1320 CB VAL A 85 6.815 -6.963 4.482 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.715 -8.057 5.037 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.836 -6.956 2.959 1.00 0.00 C ATOM 0 H VAL A 85 6.219 -6.725 6.896 1.00 0.00 H new ATOM 0 HA VAL A 85 4.749 -6.334 4.543 1.00 0.00 H new ATOM 0 HB VAL A 85 7.208 -6.007 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.724 -7.934 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.740 -7.990 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.327 -9.032 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.864 -6.860 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.411 -7.887 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.248 -6.115 2.591 1.00 0.00 H new ATOM 1332 N SER A 86 4.863 -9.421 5.566 1.00 0.00 N ATOM 1333 CA SER A 86 4.368 -10.772 5.320 1.00 0.00 C ATOM 1334 C SER A 86 2.833 -10.821 5.334 1.00 0.00 C ATOM 1335 O SER A 86 2.224 -11.696 4.713 1.00 0.00 O ATOM 1336 CB SER A 86 4.945 -11.732 6.369 1.00 0.00 C ATOM 1337 OG SER A 86 4.570 -13.076 6.114 1.00 0.00 O ATOM 0 H SER A 86 5.264 -9.283 6.494 1.00 0.00 H new ATOM 0 HA SER A 86 4.696 -11.081 4.327 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.032 -11.653 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.598 -11.439 7.360 1.00 0.00 H new ATOM 0 HG SER A 86 4.956 -13.659 6.800 1.00 0.00 H new ATOM 1343 N ALA A 87 2.209 -9.867 6.019 1.00 0.00 N ATOM 1344 CA ALA A 87 0.759 -9.888 6.221 1.00 0.00 C ATOM 1345 C ALA A 87 -0.027 -9.771 4.903 1.00 0.00 C ATOM 1346 O ALA A 87 -0.861 -10.632 4.611 1.00 0.00 O ATOM 1347 CB ALA A 87 0.338 -8.802 7.205 1.00 0.00 C ATOM 0 H ALA A 87 2.682 -9.069 6.444 1.00 0.00 H new ATOM 0 HA ALA A 87 0.512 -10.862 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.743 -8.834 7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.830 -8.969 8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.626 -7.826 6.814 1.00 0.00 H new ATOM 1353 N PRO A 88 0.221 -8.729 4.072 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.536 -8.519 2.830 1.00 0.00 C ATOM 1355 C PRO A 88 -0.227 -9.560 1.758 1.00 0.00 C ATOM 1356 O PRO A 88 -0.794 -9.526 0.669 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.094 -7.127 2.355 1.00 0.00 C ATOM 1358 CG PRO A 88 0.620 -6.520 3.512 1.00 0.00 C ATOM 1359 CD PRO A 88 1.222 -7.668 4.259 1.00 0.00 C ATOM 0 HA PRO A 88 -1.608 -8.606 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.558 -7.198 1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.952 -6.522 2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.389 -5.824 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.066 -5.957 4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.194 -7.951 3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.372 -7.433 5.313 1.00 0.00 H new ATOM 1367 N ILE A 89 0.676 -10.477 2.062 1.00 0.00 N ATOM 1368 CA ILE A 89 1.005 -11.544 1.136 1.00 0.00 C ATOM 1369 C ILE A 89 -0.094 -12.604 1.131 1.00 0.00 C ATOM 1370 O ILE A 89 -0.526 -13.061 0.072 1.00 0.00 O ATOM 1371 CB ILE A 89 2.366 -12.193 1.480 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.501 -11.191 1.235 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.581 -13.463 0.670 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.887 -11.766 1.438 1.00 0.00 C ATOM 0 H ILE A 89 1.193 -10.503 2.941 1.00 0.00 H new ATOM 0 HA ILE A 89 1.082 -11.105 0.141 1.00 0.00 H new ATOM 0 HB ILE A 89 2.364 -12.468 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.422 -10.811 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.371 -10.340 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.545 -13.901 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.787 -14.175 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.566 -13.223 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.633 -10.995 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.987 -12.120 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.040 -12.598 0.751 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.552 -12.984 2.316 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.573 -14.015 2.438 1.00 0.00 C ATOM 1388 C LYS A 90 -2.970 -13.408 2.577 1.00 0.00 C ATOM 1389 O LYS A 90 -3.969 -14.028 2.203 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.266 -14.922 3.632 1.00 0.00 C ATOM 1391 CG LYS A 90 -1.189 -14.184 4.960 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.862 -15.129 6.103 1.00 0.00 C ATOM 1393 CE LYS A 90 -0.908 -14.414 7.442 1.00 0.00 C ATOM 1394 NZ LYS A 90 -0.573 -15.324 8.569 1.00 0.00 N ATOM 0 H LYS A 90 -0.234 -12.595 3.204 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.560 -14.609 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.035 -15.692 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.319 -15.432 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.429 -13.405 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.139 -13.687 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.570 -15.957 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.129 -15.557 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.209 -13.578 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.903 -13.996 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.616 -14.797 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.255 -16.109 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.386 -15.703 8.436 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.038 -12.193 3.107 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.321 -11.552 3.386 1.00 0.00 C ATOM 1410 C ASP A 91 -4.453 -10.226 2.651 1.00 0.00 C ATOM 1411 O ASP A 91 -4.990 -9.267 3.201 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.492 -11.311 4.887 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.696 -12.588 5.677 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.735 -13.251 5.486 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -3.837 -12.913 6.524 1.00 0.00 O ATOM 0 H ASP A 91 -2.223 -11.631 3.352 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.100 -12.228 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.612 -10.792 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.345 -10.652 5.048 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.003 -10.187 1.403 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.001 -8.952 0.619 1.00 0.00 C ATOM 1422 C ALA A 92 -5.375 -8.287 0.601 1.00 0.00 C ATOM 1423 O ALA A 92 -5.496 -7.093 0.880 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.541 -9.236 -0.801 1.00 0.00 C ATOM 0 H ALA A 92 -3.633 -10.998 0.908 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.306 -8.261 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.543 -8.310 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.532 -9.648 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.217 -9.953 -1.266 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.407 -9.065 0.298 1.00 0.00 N ATOM 1431 CA GLU A 93 -7.764 -8.538 0.223 1.00 0.00 C ATOM 1432 C GLU A 93 -8.225 -8.025 1.583 1.00 0.00 C ATOM 1433 O GLU A 93 -8.896 -6.998 1.675 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.744 -9.607 -0.274 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.496 -10.079 -1.701 1.00 0.00 C ATOM 1436 CD GLU A 93 -7.367 -11.088 -1.818 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -6.826 -11.524 -0.779 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -7.028 -11.467 -2.955 1.00 0.00 O ATOM 0 H GLU A 93 -6.330 -10.063 0.100 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.752 -7.710 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.692 -10.467 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.758 -9.212 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.411 -10.523 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.267 -9.216 -2.326 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.840 -8.730 2.639 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.298 -8.394 3.979 1.00 0.00 C ATOM 1447 C LYS A 94 -7.615 -7.124 4.471 1.00 0.00 C ATOM 1448 O LYS A 94 -8.217 -6.320 5.180 1.00 0.00 O ATOM 1449 CB LYS A 94 -8.032 -9.553 4.943 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.692 -9.375 6.304 1.00 0.00 C ATOM 1451 CD LYS A 94 -8.462 -10.580 7.199 1.00 0.00 C ATOM 1452 CE LYS A 94 -7.000 -10.720 7.588 1.00 0.00 C ATOM 1453 NZ LYS A 94 -6.760 -11.929 8.416 1.00 0.00 N ATOM 0 H LYS A 94 -7.214 -9.534 2.593 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.373 -8.217 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.390 -10.479 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.956 -9.661 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.296 -8.482 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.763 -9.218 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.071 -10.487 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.790 -11.483 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.388 -10.770 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.685 -9.834 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.751 -11.988 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.324 -11.870 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.037 -12.777 7.881 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.362 -6.947 4.079 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.614 -5.745 4.416 1.00 0.00 C ATOM 1469 C VAL A 95 -6.254 -4.528 3.751 1.00 0.00 C ATOM 1470 O VAL A 95 -6.415 -3.475 4.369 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.138 -5.870 3.978 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.370 -4.595 4.271 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.475 -7.052 4.663 1.00 0.00 C ATOM 0 H VAL A 95 -5.839 -7.625 3.524 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.640 -5.620 5.498 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.123 -6.036 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.334 -4.713 3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.824 -3.764 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.399 -4.391 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.436 -7.123 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.512 -6.914 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.001 -7.969 4.396 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.634 -4.698 2.490 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.301 -3.647 1.736 1.00 0.00 C ATOM 1485 C ILE A 96 -8.659 -3.318 2.355 1.00 0.00 C ATOM 1486 O ILE A 96 -8.974 -2.151 2.596 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.467 -4.058 0.255 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.089 -4.212 -0.393 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.308 -3.038 -0.503 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.136 -4.768 -1.797 1.00 0.00 C ATOM 0 H ILE A 96 -6.489 -5.561 1.966 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.679 -2.753 1.776 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.989 -5.014 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.596 -3.240 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.477 -4.867 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.410 -3.351 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.295 -2.969 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.821 -2.064 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.123 -4.849 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.599 -5.755 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.720 -4.102 -2.433 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.442 -4.355 2.639 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.757 -4.185 3.262 1.00 0.00 C ATOM 1504 C ASN A 97 -10.641 -3.516 4.627 1.00 0.00 C ATOM 1505 O ASN A 97 -11.472 -2.682 4.993 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.474 -5.532 3.407 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.130 -5.986 2.117 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -12.609 -5.170 1.331 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.165 -7.291 1.891 1.00 0.00 N ATOM 0 H ASN A 97 -9.191 -5.325 2.448 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.344 -3.540 2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.758 -6.287 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.231 -5.454 4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.600 -7.650 1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.757 -7.937 2.567 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.606 -3.880 5.376 1.00 0.00 N ATOM 1517 CA ALA A 98 -9.379 -3.305 6.695 1.00 0.00 C ATOM 1518 C ALA A 98 -9.109 -1.810 6.596 1.00 0.00 C ATOM 1519 O ALA A 98 -9.671 -1.019 7.354 1.00 0.00 O ATOM 1520 CB ALA A 98 -8.222 -4.005 7.393 1.00 0.00 C ATOM 0 H ALA A 98 -8.911 -4.571 5.092 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.283 -3.452 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.068 -3.561 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.452 -5.065 7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.316 -3.891 6.798 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.258 -1.428 5.648 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.913 -0.027 5.438 1.00 0.00 C ATOM 1528 C ALA A 99 -9.141 0.785 5.033 1.00 0.00 C ATOM 1529 O ALA A 99 -9.343 1.907 5.499 1.00 0.00 O ATOM 1530 CB ALA A 99 -6.830 0.095 4.378 1.00 0.00 C ATOM 0 H ALA A 99 -7.793 -2.074 5.010 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.535 0.374 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.582 1.146 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.941 -0.446 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.190 -0.328 3.440 1.00 0.00 H new ATOM 1536 N LEU A 100 -9.967 0.200 4.176 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.172 0.865 3.700 1.00 0.00 C ATOM 1538 C LEU A 100 -12.174 1.065 4.831 1.00 0.00 C ATOM 1539 O LEU A 100 -12.864 2.083 4.891 1.00 0.00 O ATOM 1540 CB LEU A 100 -11.813 0.055 2.571 1.00 0.00 C ATOM 1541 CG LEU A 100 -10.935 -0.148 1.336 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -11.658 -0.997 0.303 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -10.535 1.194 0.740 1.00 0.00 C ATOM 0 H LEU A 100 -9.824 -0.736 3.796 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.886 1.846 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.095 -0.923 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.733 0.553 2.265 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.029 -0.673 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.019 -1.131 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.894 -1.970 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.580 -0.499 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.910 1.030 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.430 1.745 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.978 1.769 1.480 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.235 0.100 5.741 1.00 0.00 N ATOM 1556 CA ALA A 101 -13.171 0.151 6.860 1.00 0.00 C ATOM 1557 C ALA A 101 -12.807 1.259 7.845 1.00 0.00 C ATOM 1558 O ALA A 101 -13.653 1.727 8.608 1.00 0.00 O ATOM 1559 CB ALA A 101 -13.213 -1.193 7.568 1.00 0.00 C ATOM 0 H ALA A 101 -11.645 -0.732 5.726 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.160 0.376 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.914 -1.144 8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.535 -1.963 6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.220 -1.437 7.944 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.548 1.686 7.816 1.00 0.00 N ATOM 1566 CA LEU A 102 -11.069 2.721 8.725 1.00 0.00 C ATOM 1567 C LEU A 102 -11.749 4.059 8.438 1.00 0.00 C ATOM 1568 O LEU A 102 -11.860 4.913 9.319 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.550 2.875 8.608 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.741 1.605 8.887 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -7.252 1.881 8.744 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -9.055 1.065 10.275 1.00 0.00 C ATOM 0 H LEU A 102 -10.841 1.331 7.172 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.319 2.416 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.313 3.224 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.226 3.652 9.300 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.023 0.849 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.692 0.968 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.041 2.220 7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.955 2.653 9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.471 0.163 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.802 1.816 11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.117 0.829 10.342 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.199 4.239 7.200 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.883 5.467 6.813 1.00 0.00 C ATOM 1586 C ILE A 103 -14.339 5.206 6.432 1.00 0.00 C ATOM 1587 O ILE A 103 -15.206 6.047 6.663 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.175 6.182 5.640 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -11.990 5.234 4.449 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.838 6.745 6.096 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.401 5.901 3.223 1.00 0.00 C ATOM 0 H ILE A 103 -12.103 3.553 6.451 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.852 6.116 7.688 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.805 7.009 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.343 4.410 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.956 4.801 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.350 7.246 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.000 7.460 6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.204 5.933 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.300 5.168 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.058 6.707 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.420 6.309 3.467 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.608 4.039 5.861 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.956 3.709 5.409 1.00 0.00 C ATOM 1605 C ASP A 104 -16.242 2.219 5.585 1.00 0.00 C ATOM 1606 O ASP A 104 -16.884 1.815 6.554 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.133 4.120 3.938 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.487 3.737 3.370 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -17.615 2.621 2.822 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -18.425 4.558 3.452 1.00 0.00 O ATOM 0 H ASP A 104 -13.916 3.308 5.700 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.669 4.263 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -16.001 5.198 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.350 3.653 3.340 1.00 0.00 H new