USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 658 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 51 THR OG1 : rot -54:sc= 2.2 USER MOD Set 1.2: A 55 THR OG1 : rot 39:sc= 1.22 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -2.33! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 47 CYS SG : rot -80:sc= -2.5! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.02 F(o=-2!,f=-1) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 166:sc= 0.432 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -1:sc= 1.27 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot -130:sc= -0.691 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.126 -18.873 -6.048 1.00 0.00 N ATOM 88 CA ASP A 10 -9.936 -17.862 -6.719 1.00 0.00 C ATOM 89 C ASP A 10 -9.590 -16.464 -6.213 1.00 0.00 C ATOM 90 O ASP A 10 -9.346 -16.267 -5.024 1.00 0.00 O ATOM 91 CB ASP A 10 -11.423 -18.143 -6.502 1.00 0.00 C ATOM 92 CG ASP A 10 -11.817 -19.543 -6.932 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.687 -19.852 -8.135 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.256 -20.328 -6.066 1.00 0.00 O ATOM 0 HA ASP A 10 -9.718 -17.907 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.665 -18.008 -5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.012 -17.415 -7.060 1.00 0.00 H new ATOM 99 N ALA A 11 -9.569 -15.499 -7.126 1.00 0.00 N ATOM 100 CA ALA A 11 -9.255 -14.121 -6.773 1.00 0.00 C ATOM 101 C ALA A 11 -10.524 -13.290 -6.617 1.00 0.00 C ATOM 102 O ALA A 11 -10.730 -12.639 -5.593 1.00 0.00 O ATOM 103 CB ALA A 11 -8.342 -13.502 -7.822 1.00 0.00 C ATOM 0 H ALA A 11 -9.766 -15.647 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.737 -14.128 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.116 -12.472 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.416 -14.074 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.840 -13.516 -8.792 1.00 0.00 H new ATOM 109 N SER A 12 -11.372 -13.316 -7.640 1.00 0.00 N ATOM 110 CA SER A 12 -12.620 -12.562 -7.619 1.00 0.00 C ATOM 111 C SER A 12 -13.407 -12.849 -6.343 1.00 0.00 C ATOM 112 O SER A 12 -14.241 -12.048 -5.920 1.00 0.00 O ATOM 113 CB SER A 12 -13.470 -12.907 -8.843 1.00 0.00 C ATOM 114 OG SER A 12 -13.720 -14.300 -8.915 1.00 0.00 O ATOM 0 H SER A 12 -11.217 -13.851 -8.494 1.00 0.00 H new ATOM 0 HA SER A 12 -12.374 -11.500 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.416 -12.367 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.959 -12.579 -9.748 1.00 0.00 H new ATOM 0 HG SER A 12 -14.267 -14.494 -9.705 1.00 0.00 H new ATOM 120 N LYS A 13 -13.133 -13.998 -5.733 1.00 0.00 N ATOM 121 CA LYS A 13 -13.812 -14.391 -4.504 1.00 0.00 C ATOM 122 C LYS A 13 -13.172 -13.726 -3.290 1.00 0.00 C ATOM 123 O LYS A 13 -13.842 -13.454 -2.293 1.00 0.00 O ATOM 124 CB LYS A 13 -13.775 -15.913 -4.343 1.00 0.00 C ATOM 125 CG LYS A 13 -14.189 -16.668 -5.595 1.00 0.00 C ATOM 126 CD LYS A 13 -15.689 -16.905 -5.633 1.00 0.00 C ATOM 127 CE LYS A 13 -16.164 -17.242 -7.038 1.00 0.00 C ATOM 128 NZ LYS A 13 -17.362 -18.127 -7.021 1.00 0.00 N ATOM 0 H LYS A 13 -12.446 -14.673 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.849 -14.062 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.766 -16.216 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.433 -16.199 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.886 -16.104 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.668 -17.624 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.947 -17.719 -4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.208 -16.016 -5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.400 -16.322 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.359 -17.731 -7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.655 -18.334 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.130 -19.016 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.139 -17.650 -6.520 1.00 0.00 H new ATOM 142 N CYS A 14 -11.873 -13.464 -3.382 1.00 0.00 N ATOM 143 CA CYS A 14 -11.142 -12.830 -2.291 1.00 0.00 C ATOM 144 C CYS A 14 -11.696 -11.438 -2.003 1.00 0.00 C ATOM 145 O CYS A 14 -12.237 -10.777 -2.890 1.00 0.00 O ATOM 146 CB CYS A 14 -9.653 -12.737 -2.631 1.00 0.00 C ATOM 147 SG CYS A 14 -8.587 -12.437 -1.203 1.00 0.00 S ATOM 0 H CYS A 14 -11.305 -13.681 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.266 -13.444 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.343 -13.664 -3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.506 -11.936 -3.355 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.348 -12.377 -1.592 1.00 0.00 H new ATOM 153 N LEU A 15 -11.561 -11.000 -0.756 1.00 0.00 N ATOM 154 CA LEU A 15 -12.050 -9.686 -0.349 1.00 0.00 C ATOM 155 C LEU A 15 -10.925 -8.848 0.251 1.00 0.00 C ATOM 156 O LEU A 15 -10.092 -9.356 1.001 1.00 0.00 O ATOM 157 CB LEU A 15 -13.187 -9.835 0.664 1.00 0.00 C ATOM 158 CG LEU A 15 -14.597 -9.932 0.080 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.163 -8.544 -0.178 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.589 -10.753 -1.200 1.00 0.00 C ATOM 0 H LEU A 15 -11.117 -11.535 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.426 -9.175 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.000 -10.728 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.155 -8.984 1.344 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.237 -10.435 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.167 -8.632 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.205 -7.988 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.523 -8.016 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.601 -10.811 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.935 -10.279 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.225 -11.758 -0.985 1.00 0.00 H new ATOM 172 N ALA A 16 -10.910 -7.562 -0.083 1.00 0.00 N ATOM 173 CA ALA A 16 -9.891 -6.653 0.425 1.00 0.00 C ATOM 174 C ALA A 16 -10.522 -5.491 1.186 1.00 0.00 C ATOM 175 O ALA A 16 -11.213 -4.655 0.602 1.00 0.00 O ATOM 176 CB ALA A 16 -9.029 -6.133 -0.716 1.00 0.00 C ATOM 0 H ALA A 16 -11.592 -7.126 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.259 -7.208 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.272 -5.455 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.541 -6.971 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.655 -5.600 -1.431 1.00 0.00 H new ATOM 182 N THR A 17 -10.281 -5.445 2.492 1.00 0.00 N ATOM 183 CA THR A 17 -10.828 -4.386 3.333 1.00 0.00 C ATOM 184 C THR A 17 -9.717 -3.594 4.012 1.00 0.00 C ATOM 185 O THR A 17 -8.798 -4.169 4.594 1.00 0.00 O ATOM 186 CB THR A 17 -11.769 -4.956 4.411 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.124 -6.025 5.110 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.064 -5.457 3.789 1.00 0.00 C ATOM 0 H THR A 17 -9.711 -6.128 2.991 1.00 0.00 H new ATOM 0 HA THR A 17 -11.395 -3.723 2.679 1.00 0.00 H new ATOM 0 HB THR A 17 -12.007 -4.157 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.729 -6.380 5.794 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.712 -5.855 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.568 -4.633 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.841 -6.243 3.067 1.00 0.00 H new ATOM 196 N GLY A 18 -9.806 -2.270 3.933 1.00 0.00 N ATOM 197 CA GLY A 18 -8.802 -1.421 4.544 1.00 0.00 C ATOM 198 C GLY A 18 -8.888 0.016 4.068 1.00 0.00 C ATOM 199 O GLY A 18 -9.387 0.303 2.979 1.00 0.00 O ATOM 0 H GLY A 18 -10.557 -1.770 3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.918 -1.449 5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.811 -1.816 4.319 1.00 0.00 H new ATOM 203 N PRO A 19 -8.397 0.950 4.897 1.00 0.00 N ATOM 204 CA PRO A 19 -8.411 2.379 4.576 1.00 0.00 C ATOM 205 C PRO A 19 -7.445 2.731 3.450 1.00 0.00 C ATOM 206 O PRO A 19 -7.615 3.738 2.765 1.00 0.00 O ATOM 207 CB PRO A 19 -7.970 3.041 5.884 1.00 0.00 C ATOM 208 CG PRO A 19 -7.170 1.998 6.585 1.00 0.00 C ATOM 209 CD PRO A 19 -7.789 0.680 6.211 1.00 0.00 C ATOM 0 HA PRO A 19 -9.389 2.707 4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.376 3.935 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.828 3.349 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.124 2.038 6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.194 2.148 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.043 -0.113 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.534 0.364 6.941 1.00 0.00 H new ATOM 217 N GLY A 20 -6.431 1.892 3.264 1.00 0.00 N ATOM 218 CA GLY A 20 -5.452 2.131 2.218 1.00 0.00 C ATOM 219 C GLY A 20 -5.986 1.802 0.838 1.00 0.00 C ATOM 220 O GLY A 20 -5.479 2.303 -0.166 1.00 0.00 O ATOM 0 H GLY A 20 -6.269 1.051 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.144 3.176 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.563 1.531 2.413 1.00 0.00 H new ATOM 224 N ILE A 21 -7.011 0.957 0.788 1.00 0.00 N ATOM 225 CA ILE A 21 -7.612 0.561 -0.480 1.00 0.00 C ATOM 226 C ILE A 21 -8.828 1.422 -0.803 1.00 0.00 C ATOM 227 O ILE A 21 -9.620 1.088 -1.684 1.00 0.00 O ATOM 228 CB ILE A 21 -8.034 -0.921 -0.463 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.942 -1.201 0.736 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.808 -1.820 -0.429 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.649 -2.536 0.658 1.00 0.00 C ATOM 0 H ILE A 21 -7.442 0.534 1.610 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.854 0.705 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.592 -1.136 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.347 -1.167 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.686 -0.408 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.122 -2.864 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.197 -1.635 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.225 -1.607 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.275 -2.668 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.271 -2.567 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.911 -3.337 0.614 1.00 0.00 H new ATOM 243 N ALA A 22 -8.969 2.532 -0.085 1.00 0.00 N ATOM 244 CA ALA A 22 -10.087 3.443 -0.298 1.00 0.00 C ATOM 245 C ALA A 22 -9.808 4.390 -1.460 1.00 0.00 C ATOM 246 O ALA A 22 -8.662 4.760 -1.711 1.00 0.00 O ATOM 247 CB ALA A 22 -10.375 4.230 0.971 1.00 0.00 C ATOM 0 H ALA A 22 -8.323 2.822 0.649 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.966 2.849 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.212 4.906 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.626 3.541 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.493 4.808 1.249 1.00 0.00 H new ATOM 253 N SER A 23 -10.865 4.778 -2.167 1.00 0.00 N ATOM 254 CA SER A 23 -10.734 5.679 -3.307 1.00 0.00 C ATOM 255 C SER A 23 -9.799 6.839 -2.977 1.00 0.00 C ATOM 256 O SER A 23 -9.124 7.378 -3.854 1.00 0.00 O ATOM 257 CB SER A 23 -12.105 6.217 -3.719 1.00 0.00 C ATOM 258 OG SER A 23 -12.996 5.160 -4.028 1.00 0.00 O ATOM 0 H SER A 23 -11.821 4.483 -1.971 1.00 0.00 H new ATOM 0 HA SER A 23 -10.308 5.115 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.519 6.822 -2.912 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.997 6.871 -4.584 1.00 0.00 H new ATOM 0 HG SER A 23 -13.866 5.530 -4.287 1.00 0.00 H new ATOM 264 N THR A 24 -9.763 7.218 -1.703 1.00 0.00 N ATOM 265 CA THR A 24 -8.912 8.314 -1.255 1.00 0.00 C ATOM 266 C THR A 24 -8.304 8.016 0.111 1.00 0.00 C ATOM 267 O THR A 24 -8.867 7.254 0.898 1.00 0.00 O ATOM 268 CB THR A 24 -9.695 9.638 -1.178 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.826 9.488 -0.312 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.162 10.072 -2.559 1.00 0.00 C ATOM 0 H THR A 24 -10.313 6.782 -0.963 1.00 0.00 H new ATOM 0 HA THR A 24 -8.114 8.415 -1.990 1.00 0.00 H new ATOM 0 HB THR A 24 -9.031 10.405 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.318 10.334 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.713 11.009 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.298 10.213 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.811 9.305 -2.981 1.00 0.00 H new ATOM 278 N VAL A 25 -7.154 8.622 0.387 1.00 0.00 N ATOM 279 CA VAL A 25 -6.472 8.423 1.660 1.00 0.00 C ATOM 280 C VAL A 25 -5.719 9.679 2.082 1.00 0.00 C ATOM 281 O VAL A 25 -5.752 10.698 1.392 1.00 0.00 O ATOM 282 CB VAL A 25 -5.482 7.244 1.587 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.209 5.957 1.228 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.376 7.539 0.585 1.00 0.00 C ATOM 0 H VAL A 25 -6.675 9.255 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.240 8.198 2.400 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.026 7.113 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.494 5.136 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.961 5.740 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.694 6.071 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.686 6.696 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.812 7.697 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.837 8.435 0.892 1.00 0.00 H new ATOM 294 N LYS A 26 -5.038 9.600 3.220 1.00 0.00 N ATOM 295 CA LYS A 26 -4.274 10.729 3.735 1.00 0.00 C ATOM 296 C LYS A 26 -2.780 10.523 3.510 1.00 0.00 C ATOM 297 O LYS A 26 -2.303 9.391 3.427 1.00 0.00 O ATOM 298 CB LYS A 26 -4.554 10.922 5.228 1.00 0.00 C ATOM 299 CG LYS A 26 -4.294 12.337 5.718 1.00 0.00 C ATOM 300 CD LYS A 26 -4.962 12.593 7.058 1.00 0.00 C ATOM 301 CE LYS A 26 -6.383 13.108 6.883 1.00 0.00 C ATOM 302 NZ LYS A 26 -7.112 13.173 8.181 1.00 0.00 N ATOM 0 H LYS A 26 -5.000 8.764 3.804 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.585 11.623 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.593 10.661 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.934 10.230 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.220 12.500 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.664 13.052 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.977 11.672 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.378 13.319 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.357 14.099 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.923 12.458 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.076 13.528 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.159 12.223 8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.611 13.813 8.829 1.00 0.00 H new ATOM 316 N THR A 27 -2.043 11.626 3.415 1.00 0.00 N ATOM 317 CA THR A 27 -0.602 11.566 3.200 1.00 0.00 C ATOM 318 C THR A 27 0.156 11.689 4.517 1.00 0.00 C ATOM 319 O THR A 27 -0.302 12.350 5.448 1.00 0.00 O ATOM 320 CB THR A 27 -0.130 12.677 2.243 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.640 13.944 2.675 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.591 12.398 0.820 1.00 0.00 C ATOM 0 H THR A 27 -2.420 12.571 3.484 1.00 0.00 H new ATOM 0 HA THR A 27 -0.390 10.596 2.751 1.00 0.00 H new ATOM 0 HB THR A 27 0.960 12.700 2.257 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.334 14.646 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.246 13.196 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.178 11.447 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.680 12.351 0.793 1.00 0.00 H new ATOM 330 N GLY A 28 1.319 11.049 4.587 1.00 0.00 N ATOM 331 CA GLY A 28 2.122 11.101 5.795 1.00 0.00 C ATOM 332 C GLY A 28 1.676 10.090 6.832 1.00 0.00 C ATOM 333 O GLY A 28 2.497 9.541 7.566 1.00 0.00 O ATOM 0 H GLY A 28 1.719 10.496 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.166 10.920 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.067 12.103 6.221 1.00 0.00 H new ATOM 337 N GLU A 29 0.370 9.844 6.893 1.00 0.00 N ATOM 338 CA GLU A 29 -0.183 8.893 7.850 1.00 0.00 C ATOM 339 C GLU A 29 0.174 7.461 7.463 1.00 0.00 C ATOM 340 O GLU A 29 0.320 7.144 6.283 1.00 0.00 O ATOM 341 CB GLU A 29 -1.704 9.046 7.933 1.00 0.00 C ATOM 342 CG GLU A 29 -2.156 10.090 8.941 1.00 0.00 C ATOM 343 CD GLU A 29 -2.280 9.531 10.344 1.00 0.00 C ATOM 344 OE1 GLU A 29 -3.059 8.574 10.536 1.00 0.00 O ATOM 345 OE2 GLU A 29 -1.598 10.051 11.252 1.00 0.00 O ATOM 0 H GLU A 29 -0.323 10.290 6.292 1.00 0.00 H new ATOM 0 HA GLU A 29 0.251 9.106 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.088 9.313 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.144 8.084 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.446 10.917 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.118 10.497 8.630 1.00 0.00 H new ATOM 352 N GLU A 30 0.314 6.600 8.467 1.00 0.00 N ATOM 353 CA GLU A 30 0.657 5.203 8.232 1.00 0.00 C ATOM 354 C GLU A 30 -0.577 4.402 7.821 1.00 0.00 C ATOM 355 O GLU A 30 -1.442 4.108 8.646 1.00 0.00 O ATOM 356 CB GLU A 30 1.281 4.589 9.486 1.00 0.00 C ATOM 357 CG GLU A 30 1.749 3.156 9.295 1.00 0.00 C ATOM 358 CD GLU A 30 2.833 2.760 10.280 1.00 0.00 C ATOM 359 OE1 GLU A 30 2.495 2.456 11.442 1.00 0.00 O ATOM 360 OE2 GLU A 30 4.018 2.755 9.886 1.00 0.00 O ATOM 0 H GLU A 30 0.195 6.846 9.450 1.00 0.00 H new ATOM 0 HA GLU A 30 1.382 5.166 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.128 5.200 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.552 4.619 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.899 2.482 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.124 3.032 8.279 1.00 0.00 H new ATOM 367 N VAL A 31 -0.649 4.053 6.541 1.00 0.00 N ATOM 368 CA VAL A 31 -1.775 3.288 6.019 1.00 0.00 C ATOM 369 C VAL A 31 -1.606 1.800 6.304 1.00 0.00 C ATOM 370 O VAL A 31 -0.491 1.316 6.495 1.00 0.00 O ATOM 371 CB VAL A 31 -1.939 3.494 4.501 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.208 2.818 4.005 1.00 0.00 C ATOM 373 CG2 VAL A 31 -1.947 4.977 4.164 1.00 0.00 C ATOM 0 H VAL A 31 0.059 4.288 5.846 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.668 3.653 6.525 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.090 3.034 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.307 2.974 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.156 1.749 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.071 3.246 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.064 5.105 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.776 5.463 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.007 5.428 4.483 1.00 0.00 H new ATOM 383 N GLY A 32 -2.722 1.077 6.329 1.00 0.00 N ATOM 384 CA GLY A 32 -2.676 -0.350 6.591 1.00 0.00 C ATOM 385 C GLY A 32 -3.996 -1.036 6.301 1.00 0.00 C ATOM 386 O GLY A 32 -5.007 -0.747 6.942 1.00 0.00 O ATOM 0 H GLY A 32 -3.657 1.454 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.893 -0.803 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.405 -0.516 7.634 1.00 0.00 H new ATOM 390 N PHE A 33 -3.988 -1.945 5.333 1.00 0.00 N ATOM 391 CA PHE A 33 -5.195 -2.672 4.957 1.00 0.00 C ATOM 392 C PHE A 33 -5.018 -4.171 5.179 1.00 0.00 C ATOM 393 O PHE A 33 -3.929 -4.636 5.517 1.00 0.00 O ATOM 394 CB PHE A 33 -5.545 -2.400 3.492 1.00 0.00 C ATOM 395 CG PHE A 33 -4.416 -2.685 2.543 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.474 -1.710 2.254 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.296 -3.926 1.941 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.434 -1.968 1.381 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.258 -4.191 1.068 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.327 -3.210 0.787 1.00 0.00 C ATOM 0 H PHE A 33 -3.159 -2.196 4.794 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.011 -2.322 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.406 -3.008 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.844 -1.357 3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.554 -0.737 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.022 -4.696 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.707 -1.200 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.175 -5.164 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.516 -3.414 0.103 1.00 0.00 H new ATOM 410 N VAL A 34 -6.098 -4.924 4.987 1.00 0.00 N ATOM 411 CA VAL A 34 -6.063 -6.370 5.166 1.00 0.00 C ATOM 412 C VAL A 34 -6.972 -7.070 4.162 1.00 0.00 C ATOM 413 O VAL A 34 -8.064 -6.590 3.858 1.00 0.00 O ATOM 414 CB VAL A 34 -6.488 -6.769 6.592 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.899 -6.283 6.884 1.00 0.00 C ATOM 416 CG2 VAL A 34 -6.386 -8.276 6.775 1.00 0.00 C ATOM 0 H VAL A 34 -7.007 -4.556 4.708 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.033 -6.685 5.000 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.811 -6.293 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.182 -6.574 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.936 -5.197 6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.592 -6.729 6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.690 -8.541 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.039 -8.775 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.356 -8.594 6.610 1.00 0.00 H new ATOM 426 N VAL A 35 -6.513 -8.206 3.650 1.00 0.00 N ATOM 427 CA VAL A 35 -7.286 -8.975 2.679 1.00 0.00 C ATOM 428 C VAL A 35 -7.926 -10.196 3.330 1.00 0.00 C ATOM 429 O VAL A 35 -7.236 -11.045 3.893 1.00 0.00 O ATOM 430 CB VAL A 35 -6.408 -9.436 1.502 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.215 -10.292 0.537 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.804 -8.237 0.787 1.00 0.00 C ATOM 0 H VAL A 35 -5.610 -8.616 3.890 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.068 -8.315 2.303 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.593 -10.044 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.578 -10.609 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.595 -11.170 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.051 -9.711 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.186 -8.581 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.603 -7.601 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.190 -7.668 1.485 1.00 0.00 H new ATOM 442 N ASP A 36 -9.250 -10.277 3.248 1.00 0.00 N ATOM 443 CA ASP A 36 -9.985 -11.395 3.828 1.00 0.00 C ATOM 444 C ASP A 36 -10.384 -12.399 2.751 1.00 0.00 C ATOM 445 O ASP A 36 -10.952 -12.030 1.725 1.00 0.00 O ATOM 446 CB ASP A 36 -11.230 -10.891 4.560 1.00 0.00 C ATOM 447 CG ASP A 36 -11.619 -11.784 5.721 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.697 -13.014 5.524 1.00 0.00 O ATOM 449 OD2 ASP A 36 -11.849 -11.251 6.829 1.00 0.00 O ATOM 0 H ASP A 36 -9.836 -9.582 2.786 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.332 -11.896 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.048 -9.881 4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.061 -10.830 3.858 1.00 0.00 H new ATOM 454 N ALA A 37 -10.081 -13.670 2.993 1.00 0.00 N ATOM 455 CA ALA A 37 -10.409 -14.728 2.046 1.00 0.00 C ATOM 456 C ALA A 37 -11.230 -15.827 2.711 1.00 0.00 C ATOM 457 O ALA A 37 -10.837 -16.372 3.744 1.00 0.00 O ATOM 458 CB ALA A 37 -9.139 -15.307 1.441 1.00 0.00 C ATOM 0 H ALA A 37 -9.608 -13.992 3.838 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.013 -14.293 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.399 -16.096 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.593 -14.521 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.514 -15.720 2.233 1.00 0.00 H new ATOM 464 N LYS A 38 -12.372 -16.150 2.116 1.00 0.00 N ATOM 465 CA LYS A 38 -13.249 -17.185 2.649 1.00 0.00 C ATOM 466 C LYS A 38 -13.396 -18.337 1.661 1.00 0.00 C ATOM 467 O LYS A 38 -12.964 -19.458 1.929 1.00 0.00 O ATOM 468 CB LYS A 38 -14.625 -16.598 2.973 1.00 0.00 C ATOM 469 CG LYS A 38 -14.572 -15.175 3.500 1.00 0.00 C ATOM 470 CD LYS A 38 -15.812 -14.832 4.308 1.00 0.00 C ATOM 471 CE LYS A 38 -15.513 -13.784 5.370 1.00 0.00 C ATOM 472 NZ LYS A 38 -16.717 -13.459 6.183 1.00 0.00 N ATOM 0 H LYS A 38 -12.713 -15.709 1.262 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.800 -17.571 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.241 -16.621 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.116 -17.232 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.686 -15.049 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.477 -14.480 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.592 -14.464 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.199 -15.733 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.720 -14.146 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.142 -12.877 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.472 -12.742 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.465 -13.090 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.056 -14.319 6.660 1.00 0.00 H new ATOM 486 N THR A 39 -14.008 -18.054 0.514 1.00 0.00 N ATOM 487 CA THR A 39 -14.211 -19.066 -0.514 1.00 0.00 C ATOM 488 C THR A 39 -13.074 -19.053 -1.530 1.00 0.00 C ATOM 489 O THR A 39 -12.921 -19.988 -2.315 1.00 0.00 O ATOM 490 CB THR A 39 -15.547 -18.856 -1.252 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.449 -17.730 -2.132 1.00 0.00 O ATOM 492 CG2 THR A 39 -16.682 -18.636 -0.264 1.00 0.00 C ATOM 0 H THR A 39 -14.371 -17.131 0.275 1.00 0.00 H new ATOM 0 HA THR A 39 -14.232 -20.031 -0.008 1.00 0.00 H new ATOM 0 HB THR A 39 -15.761 -19.753 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.302 -17.604 -2.599 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.615 -18.490 -0.808 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.773 -19.507 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.473 -17.753 0.340 1.00 0.00 H new ATOM 500 N ALA A 40 -12.280 -17.988 -1.509 1.00 0.00 N ATOM 501 CA ALA A 40 -11.155 -17.855 -2.427 1.00 0.00 C ATOM 502 C ALA A 40 -10.321 -19.131 -2.461 1.00 0.00 C ATOM 503 O ALA A 40 -9.981 -19.634 -3.530 1.00 0.00 O ATOM 504 CB ALA A 40 -10.291 -16.666 -2.034 1.00 0.00 C ATOM 0 H ALA A 40 -12.395 -17.204 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.552 -17.686 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.455 -16.579 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.888 -15.755 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.910 -16.811 -1.023 1.00 0.00 H new ATOM 510 N GLY A 41 -9.992 -19.649 -1.280 1.00 0.00 N ATOM 511 CA GLY A 41 -9.199 -20.861 -1.198 1.00 0.00 C ATOM 512 C GLY A 41 -7.760 -20.587 -0.806 1.00 0.00 C ATOM 513 O GLY A 41 -7.493 -19.769 0.075 1.00 0.00 O ATOM 0 H GLY A 41 -10.261 -19.251 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.648 -21.537 -0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.219 -21.371 -2.161 1.00 0.00 H new ATOM 517 N LYS A 42 -6.830 -21.272 -1.461 1.00 0.00 N ATOM 518 CA LYS A 42 -5.409 -21.100 -1.177 1.00 0.00 C ATOM 519 C LYS A 42 -4.772 -20.128 -2.165 1.00 0.00 C ATOM 520 O LYS A 42 -5.195 -20.032 -3.316 1.00 0.00 O ATOM 521 CB LYS A 42 -4.689 -22.449 -1.235 1.00 0.00 C ATOM 522 CG LYS A 42 -3.326 -22.439 -0.567 1.00 0.00 C ATOM 523 CD LYS A 42 -2.444 -23.565 -1.082 1.00 0.00 C ATOM 524 CE LYS A 42 -1.451 -24.023 -0.025 1.00 0.00 C ATOM 525 NZ LYS A 42 -0.260 -24.681 -0.631 1.00 0.00 N ATOM 0 H LYS A 42 -7.034 -21.952 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.311 -20.687 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.313 -23.205 -0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.571 -22.744 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.838 -21.481 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.448 -22.535 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.067 -24.406 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.905 -23.230 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.130 -23.166 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.941 -24.717 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.393 -24.979 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.563 -25.513 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.223 -24.011 -1.263 1.00 0.00 H new ATOM 539 N GLY A 43 -3.749 -19.412 -1.708 1.00 0.00 N ATOM 540 CA GLY A 43 -3.069 -18.459 -2.565 1.00 0.00 C ATOM 541 C GLY A 43 -2.403 -17.346 -1.780 1.00 0.00 C ATOM 542 O GLY A 43 -2.834 -17.009 -0.678 1.00 0.00 O ATOM 0 H GLY A 43 -3.379 -19.475 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.318 -18.980 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.786 -18.028 -3.264 1.00 0.00 H new ATOM 546 N LYS A 44 -1.346 -16.776 -2.348 1.00 0.00 N ATOM 547 CA LYS A 44 -0.617 -15.694 -1.695 1.00 0.00 C ATOM 548 C LYS A 44 -1.044 -14.338 -2.249 1.00 0.00 C ATOM 549 O LYS A 44 -1.400 -14.219 -3.421 1.00 0.00 O ATOM 550 CB LYS A 44 0.890 -15.882 -1.883 1.00 0.00 C ATOM 551 CG LYS A 44 1.430 -17.147 -1.238 1.00 0.00 C ATOM 552 CD LYS A 44 2.836 -17.462 -1.720 1.00 0.00 C ATOM 553 CE LYS A 44 2.817 -18.216 -3.041 1.00 0.00 C ATOM 554 NZ LYS A 44 4.172 -18.699 -3.424 1.00 0.00 N ATOM 0 H LYS A 44 -0.975 -17.045 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.851 -15.722 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.115 -15.903 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.410 -15.020 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.433 -17.031 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.770 -17.984 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.398 -16.535 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.355 -18.057 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.137 -19.065 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.428 -17.566 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.116 -19.208 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.815 -17.887 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.533 -19.340 -2.689 1.00 0.00 H new ATOM 568 N VAL A 45 -1.004 -13.318 -1.398 1.00 0.00 N ATOM 569 CA VAL A 45 -1.384 -11.970 -1.803 1.00 0.00 C ATOM 570 C VAL A 45 -0.163 -11.061 -1.903 1.00 0.00 C ATOM 571 O VAL A 45 0.535 -10.830 -0.916 1.00 0.00 O ATOM 572 CB VAL A 45 -2.392 -11.350 -0.817 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.778 -9.947 -1.259 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.622 -12.235 -0.688 1.00 0.00 C ATOM 0 H VAL A 45 -0.712 -13.399 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.852 -12.055 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.919 -11.278 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.491 -9.525 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.888 -9.319 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.233 -9.990 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.324 -11.782 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.099 -12.340 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.326 -13.218 -0.321 1.00 0.00 H new ATOM 584 N THR A 46 0.088 -10.547 -3.103 1.00 0.00 N ATOM 585 CA THR A 46 1.224 -9.664 -3.333 1.00 0.00 C ATOM 586 C THR A 46 0.773 -8.216 -3.485 1.00 0.00 C ATOM 587 O THR A 46 -0.198 -7.930 -4.186 1.00 0.00 O ATOM 588 CB THR A 46 2.014 -10.079 -4.589 1.00 0.00 C ATOM 589 OG1 THR A 46 1.162 -10.036 -5.739 1.00 0.00 O ATOM 590 CG2 THR A 46 2.588 -11.479 -4.429 1.00 0.00 C ATOM 0 H THR A 46 -0.480 -10.727 -3.930 1.00 0.00 H new ATOM 0 HA THR A 46 1.872 -9.750 -2.461 1.00 0.00 H new ATOM 0 HB THR A 46 2.838 -9.378 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.672 -10.299 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.141 -11.750 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.258 -11.501 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.776 -12.190 -4.275 1.00 0.00 H new ATOM 598 N CYS A 47 1.485 -7.307 -2.827 1.00 0.00 N ATOM 599 CA CYS A 47 1.157 -5.888 -2.890 1.00 0.00 C ATOM 600 C CYS A 47 2.340 -5.079 -3.412 1.00 0.00 C ATOM 601 O CYS A 47 3.497 -5.423 -3.168 1.00 0.00 O ATOM 602 CB CYS A 47 0.744 -5.377 -1.509 1.00 0.00 C ATOM 603 SG CYS A 47 0.602 -3.577 -1.399 1.00 0.00 S ATOM 0 H CYS A 47 2.293 -7.528 -2.244 1.00 0.00 H new ATOM 0 HA CYS A 47 0.322 -5.764 -3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.213 -5.823 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.473 -5.719 -0.774 1.00 0.00 H new ATOM 0 HG CYS A 47 1.784 -3.056 -1.254 1.00 0.00 H new ATOM 609 N THR A 48 2.042 -4.003 -4.134 1.00 0.00 N ATOM 610 CA THR A 48 3.081 -3.146 -4.693 1.00 0.00 C ATOM 611 C THR A 48 2.620 -1.695 -4.758 1.00 0.00 C ATOM 612 O THR A 48 1.805 -1.329 -5.604 1.00 0.00 O ATOM 613 CB THR A 48 3.488 -3.608 -6.105 1.00 0.00 C ATOM 614 OG1 THR A 48 4.097 -4.902 -6.041 1.00 0.00 O ATOM 615 CG2 THR A 48 4.455 -2.619 -6.740 1.00 0.00 C ATOM 0 H THR A 48 1.090 -3.704 -4.345 1.00 0.00 H new ATOM 0 HA THR A 48 3.944 -3.220 -4.031 1.00 0.00 H new ATOM 0 HB THR A 48 2.589 -3.660 -6.719 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.351 -5.189 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.728 -2.966 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.979 -1.641 -6.814 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.351 -2.540 -6.125 1.00 0.00 H new ATOM 623 N VAL A 49 3.148 -0.870 -3.859 1.00 0.00 N ATOM 624 CA VAL A 49 2.793 0.543 -3.815 1.00 0.00 C ATOM 625 C VAL A 49 3.547 1.332 -4.880 1.00 0.00 C ATOM 626 O VAL A 49 4.764 1.504 -4.796 1.00 0.00 O ATOM 627 CB VAL A 49 3.090 1.154 -2.433 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.801 2.647 -2.436 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.281 0.449 -1.355 1.00 0.00 C ATOM 0 H VAL A 49 3.824 -1.157 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 49 1.722 0.607 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 49 4.148 1.013 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.017 3.061 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.427 3.137 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.751 2.814 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.503 0.893 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.218 0.557 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.542 -0.609 -1.338 1.00 0.00 H new ATOM 639 N LEU A 50 2.817 1.811 -5.880 1.00 0.00 N ATOM 640 CA LEU A 50 3.415 2.584 -6.964 1.00 0.00 C ATOM 641 C LEU A 50 3.171 4.076 -6.767 1.00 0.00 C ATOM 642 O LEU A 50 2.039 4.550 -6.867 1.00 0.00 O ATOM 643 CB LEU A 50 2.847 2.136 -8.311 1.00 0.00 C ATOM 644 CG LEU A 50 3.779 2.284 -9.515 1.00 0.00 C ATOM 645 CD1 LEU A 50 3.216 1.546 -10.719 1.00 0.00 C ATOM 646 CD2 LEU A 50 3.998 3.753 -9.843 1.00 0.00 C ATOM 0 H LEU A 50 1.809 1.678 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 50 4.490 2.406 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.555 1.089 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.939 2.706 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 50 4.742 1.842 -9.261 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.892 1.662 -11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.112 0.487 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.240 1.958 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.663 3.839 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.041 4.220 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.446 4.254 -8.985 1.00 0.00 H new ATOM 658 N THR A 51 4.241 4.814 -6.489 1.00 0.00 N ATOM 659 CA THR A 51 4.144 6.253 -6.279 1.00 0.00 C ATOM 660 C THR A 51 3.915 6.986 -7.597 1.00 0.00 C ATOM 661 O THR A 51 4.368 6.560 -8.658 1.00 0.00 O ATOM 662 CB THR A 51 5.414 6.811 -5.609 1.00 0.00 C ATOM 663 OG1 THR A 51 6.526 6.709 -6.505 1.00 0.00 O ATOM 664 CG2 THR A 51 5.721 6.058 -4.323 1.00 0.00 C ATOM 0 H THR A 51 5.186 4.438 -6.404 1.00 0.00 H new ATOM 0 HA THR A 51 3.292 6.419 -5.620 1.00 0.00 H new ATOM 0 HB THR A 51 5.240 7.859 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.609 5.784 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.622 6.469 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.885 6.162 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.877 5.003 -4.548 1.00 0.00 H new ATOM 672 N PRO A 52 3.196 8.116 -7.528 1.00 0.00 N ATOM 673 CA PRO A 52 2.892 8.934 -8.707 1.00 0.00 C ATOM 674 C PRO A 52 4.127 9.637 -9.258 1.00 0.00 C ATOM 675 O PRO A 52 4.052 10.354 -10.256 1.00 0.00 O ATOM 676 CB PRO A 52 1.885 9.958 -8.178 1.00 0.00 C ATOM 677 CG PRO A 52 2.173 10.054 -6.719 1.00 0.00 C ATOM 678 CD PRO A 52 2.625 8.684 -6.295 1.00 0.00 C ATOM 0 HA PRO A 52 2.514 8.333 -9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.006 10.923 -8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.860 9.635 -8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.945 10.798 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.286 10.361 -6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.365 8.734 -5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.794 8.084 -5.923 1.00 0.00 H new ATOM 686 N ASP A 53 5.264 9.427 -8.604 1.00 0.00 N ATOM 687 CA ASP A 53 6.517 10.040 -9.030 1.00 0.00 C ATOM 688 C ASP A 53 7.259 9.135 -10.010 1.00 0.00 C ATOM 689 O ASP A 53 8.274 9.526 -10.585 1.00 0.00 O ATOM 690 CB ASP A 53 7.403 10.336 -7.820 1.00 0.00 C ATOM 691 CG ASP A 53 6.872 11.482 -6.980 1.00 0.00 C ATOM 692 OD1 ASP A 53 7.040 12.647 -7.394 1.00 0.00 O ATOM 693 OD2 ASP A 53 6.288 11.211 -5.909 1.00 0.00 O ATOM 0 H ASP A 53 5.344 8.836 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 53 6.281 10.977 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.480 9.441 -7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.410 10.575 -8.161 1.00 0.00 H new ATOM 698 N GLY A 54 6.746 7.922 -10.193 1.00 0.00 N ATOM 699 CA GLY A 54 7.372 6.981 -11.102 1.00 0.00 C ATOM 700 C GLY A 54 8.377 6.084 -10.406 1.00 0.00 C ATOM 701 O GLY A 54 9.313 5.585 -11.030 1.00 0.00 O ATOM 0 H GLY A 54 5.908 7.575 -9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.603 6.366 -11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.871 7.529 -11.901 1.00 0.00 H new ATOM 705 N THR A 55 8.183 5.878 -9.107 1.00 0.00 N ATOM 706 CA THR A 55 9.080 5.037 -8.324 1.00 0.00 C ATOM 707 C THR A 55 8.300 4.019 -7.501 1.00 0.00 C ATOM 708 O THR A 55 7.210 4.308 -7.009 1.00 0.00 O ATOM 709 CB THR A 55 9.958 5.880 -7.380 1.00 0.00 C ATOM 710 OG1 THR A 55 9.198 6.971 -6.848 1.00 0.00 O ATOM 711 CG2 THR A 55 11.180 6.414 -8.111 1.00 0.00 C ATOM 0 H THR A 55 7.412 6.282 -8.575 1.00 0.00 H new ATOM 0 HA THR A 55 9.721 4.512 -9.032 1.00 0.00 H new ATOM 0 HB THR A 55 10.294 5.241 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.288 6.669 -6.648 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.785 7.006 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.771 5.580 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.861 7.039 -8.945 1.00 0.00 H new ATOM 719 N GLU A 56 8.866 2.825 -7.354 1.00 0.00 N ATOM 720 CA GLU A 56 8.222 1.763 -6.590 1.00 0.00 C ATOM 721 C GLU A 56 8.696 1.774 -5.140 1.00 0.00 C ATOM 722 O GLU A 56 9.885 1.622 -4.863 1.00 0.00 O ATOM 723 CB GLU A 56 8.513 0.401 -7.223 1.00 0.00 C ATOM 724 CG GLU A 56 7.840 0.200 -8.571 1.00 0.00 C ATOM 725 CD GLU A 56 8.631 -0.712 -9.488 1.00 0.00 C ATOM 726 OE1 GLU A 56 9.851 -0.493 -9.635 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.029 -1.647 -10.058 1.00 0.00 O ATOM 0 H GLU A 56 9.769 2.569 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 56 7.146 1.940 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.590 0.289 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.185 -0.384 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.846 -0.219 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.707 1.168 -9.054 1.00 0.00 H new ATOM 734 N ALA A 57 7.755 1.953 -4.218 1.00 0.00 N ATOM 735 CA ALA A 57 8.075 1.983 -2.796 1.00 0.00 C ATOM 736 C ALA A 57 8.054 0.579 -2.201 1.00 0.00 C ATOM 737 O ALA A 57 7.812 -0.400 -2.905 1.00 0.00 O ATOM 738 CB ALA A 57 7.102 2.887 -2.055 1.00 0.00 C ATOM 0 H ALA A 57 6.765 2.079 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 57 9.083 2.383 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.353 2.900 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.168 3.899 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.087 2.511 -2.183 1.00 0.00 H new ATOM 744 N GLU A 58 8.309 0.490 -0.899 1.00 0.00 N ATOM 745 CA GLU A 58 8.321 -0.796 -0.209 1.00 0.00 C ATOM 746 C GLU A 58 7.011 -1.023 0.539 1.00 0.00 C ATOM 747 O GLU A 58 6.495 -0.120 1.198 1.00 0.00 O ATOM 748 CB GLU A 58 9.498 -0.865 0.767 1.00 0.00 C ATOM 749 CG GLU A 58 10.856 -0.797 0.088 1.00 0.00 C ATOM 750 CD GLU A 58 11.154 0.575 -0.484 1.00 0.00 C ATOM 751 OE1 GLU A 58 10.778 0.828 -1.648 1.00 0.00 O ATOM 752 OE2 GLU A 58 11.763 1.397 0.234 1.00 0.00 O ATOM 0 H GLU A 58 8.510 1.292 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 58 8.433 -1.581 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.416 -0.045 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.432 -1.791 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.631 -1.063 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.896 -1.536 -0.712 1.00 0.00 H new ATOM 759 N ALA A 59 6.478 -2.236 0.433 1.00 0.00 N ATOM 760 CA ALA A 59 5.230 -2.584 1.100 1.00 0.00 C ATOM 761 C ALA A 59 5.376 -3.872 1.902 1.00 0.00 C ATOM 762 O ALA A 59 5.582 -4.947 1.337 1.00 0.00 O ATOM 763 CB ALA A 59 4.107 -2.718 0.082 1.00 0.00 C ATOM 0 H ALA A 59 6.892 -2.994 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 59 4.982 -1.781 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.181 -2.978 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.978 -1.772 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.357 -3.500 -0.635 1.00 0.00 H new ATOM 769 N ASP A 60 5.272 -3.758 3.221 1.00 0.00 N ATOM 770 CA ASP A 60 5.392 -4.915 4.101 1.00 0.00 C ATOM 771 C ASP A 60 4.179 -5.830 3.964 1.00 0.00 C ATOM 772 O ASP A 60 3.045 -5.364 3.851 1.00 0.00 O ATOM 773 CB ASP A 60 5.543 -4.462 5.555 1.00 0.00 C ATOM 774 CG ASP A 60 6.890 -3.824 5.825 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.479 -3.256 4.881 1.00 0.00 O ATOM 776 OD2 ASP A 60 7.357 -3.889 6.982 1.00 0.00 O ATOM 0 H ASP A 60 5.105 -2.876 3.705 1.00 0.00 H new ATOM 0 HA ASP A 60 6.281 -5.474 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.753 -3.751 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.411 -5.319 6.215 1.00 0.00 H new ATOM 781 N VAL A 61 4.427 -7.136 3.974 1.00 0.00 N ATOM 782 CA VAL A 61 3.357 -8.118 3.850 1.00 0.00 C ATOM 783 C VAL A 61 3.449 -9.173 4.947 1.00 0.00 C ATOM 784 O VAL A 61 4.443 -9.893 5.047 1.00 0.00 O ATOM 785 CB VAL A 61 3.391 -8.817 2.477 1.00 0.00 C ATOM 786 CG1 VAL A 61 2.235 -9.796 2.347 1.00 0.00 C ATOM 787 CG2 VAL A 61 3.359 -7.789 1.356 1.00 0.00 C ATOM 0 H VAL A 61 5.360 -7.538 4.067 1.00 0.00 H new ATOM 0 HA VAL A 61 2.417 -7.575 3.949 1.00 0.00 H new ATOM 0 HB VAL A 61 4.321 -9.379 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.276 -10.280 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.308 -10.551 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.291 -9.260 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.384 -8.300 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.446 -7.198 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.224 -7.132 1.440 1.00 0.00 H new ATOM 797 N ILE A 62 2.406 -9.258 5.767 1.00 0.00 N ATOM 798 CA ILE A 62 2.370 -10.227 6.856 1.00 0.00 C ATOM 799 C ILE A 62 1.195 -11.186 6.699 1.00 0.00 C ATOM 800 O ILE A 62 0.072 -10.766 6.419 1.00 0.00 O ATOM 801 CB ILE A 62 2.270 -9.529 8.226 1.00 0.00 C ATOM 802 CG1 ILE A 62 3.492 -8.640 8.460 1.00 0.00 C ATOM 803 CG2 ILE A 62 2.137 -10.561 9.336 1.00 0.00 C ATOM 804 CD1 ILE A 62 3.353 -7.254 7.871 1.00 0.00 C ATOM 0 H ILE A 62 1.576 -8.669 5.698 1.00 0.00 H new ATOM 0 HA ILE A 62 3.303 -10.789 6.811 1.00 0.00 H new ATOM 0 HB ILE A 62 1.380 -8.899 8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.669 -8.554 9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.370 -9.122 8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.067 -10.054 10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.238 -11.156 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.010 -11.214 9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.257 -6.680 8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.207 -7.330 6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.495 -6.753 8.319 1.00 0.00 H new ATOM 816 N GLU A 63 1.460 -12.474 6.885 1.00 0.00 N ATOM 817 CA GLU A 63 0.424 -13.494 6.764 1.00 0.00 C ATOM 818 C GLU A 63 -0.172 -13.826 8.129 1.00 0.00 C ATOM 819 O GLU A 63 0.480 -13.664 9.160 1.00 0.00 O ATOM 820 CB GLU A 63 0.994 -14.760 6.122 1.00 0.00 C ATOM 821 CG GLU A 63 2.142 -15.375 6.904 1.00 0.00 C ATOM 822 CD GLU A 63 2.898 -16.419 6.107 1.00 0.00 C ATOM 823 OE1 GLU A 63 3.433 -16.072 5.032 1.00 0.00 O ATOM 824 OE2 GLU A 63 2.955 -17.583 6.555 1.00 0.00 O ATOM 0 H GLU A 63 2.384 -12.837 7.120 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.367 -13.099 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.197 -15.497 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.337 -14.524 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.831 -14.588 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.753 -15.830 7.815 1.00 0.00 H new ATOM 831 N ASN A 64 -1.417 -14.291 8.127 1.00 0.00 N ATOM 832 CA ASN A 64 -2.104 -14.646 9.364 1.00 0.00 C ATOM 833 C ASN A 64 -2.742 -16.027 9.255 1.00 0.00 C ATOM 834 O ASN A 64 -3.192 -16.430 8.184 1.00 0.00 O ATOM 835 CB ASN A 64 -3.172 -13.603 9.697 1.00 0.00 C ATOM 836 CG ASN A 64 -2.602 -12.406 10.433 1.00 0.00 C ATOM 837 OD1 ASN A 64 -1.996 -11.487 9.689 1.00 0.00 O flip ATOM 838 ND2 ASN A 64 -2.706 -12.309 11.656 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.971 -14.431 7.282 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.366 -14.669 10.166 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.647 -13.267 8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.949 -14.064 10.306 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.180 -13.040 12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.318 -11.498 12.138 1.00 0.00 H new ATOM 845 N GLU A 65 -2.777 -16.747 10.372 1.00 0.00 N ATOM 846 CA GLU A 65 -3.360 -18.083 10.402 1.00 0.00 C ATOM 847 C GLU A 65 -4.778 -18.070 9.840 1.00 0.00 C ATOM 848 O GLU A 65 -5.301 -19.102 9.422 1.00 0.00 O ATOM 849 CB GLU A 65 -3.371 -18.627 11.832 1.00 0.00 C ATOM 850 CG GLU A 65 -2.023 -18.538 12.529 1.00 0.00 C ATOM 851 CD GLU A 65 -0.937 -19.300 11.795 1.00 0.00 C ATOM 852 OE1 GLU A 65 -1.220 -20.412 11.302 1.00 0.00 O ATOM 853 OE2 GLU A 65 0.198 -18.785 11.716 1.00 0.00 O ATOM 0 H GLU A 65 -2.409 -16.427 11.268 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.747 -18.733 9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.109 -18.076 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.692 -19.668 11.813 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.732 -17.491 12.617 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.115 -18.929 13.542 1.00 0.00 H new ATOM 860 N ASP A 66 -5.395 -16.893 9.835 1.00 0.00 N ATOM 861 CA ASP A 66 -6.753 -16.745 9.324 1.00 0.00 C ATOM 862 C ASP A 66 -6.746 -16.547 7.811 1.00 0.00 C ATOM 863 O ASP A 66 -7.601 -15.851 7.263 1.00 0.00 O ATOM 864 CB ASP A 66 -7.449 -15.564 10.002 1.00 0.00 C ATOM 865 CG ASP A 66 -8.108 -15.952 11.311 1.00 0.00 C ATOM 866 OD1 ASP A 66 -8.449 -17.143 11.473 1.00 0.00 O ATOM 867 OD2 ASP A 66 -8.281 -15.067 12.175 1.00 0.00 O ATOM 0 H ASP A 66 -4.977 -16.029 10.179 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.302 -17.659 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.721 -14.774 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.201 -15.154 9.328 1.00 0.00 H new ATOM 872 N GLY A 67 -5.776 -17.162 7.143 1.00 0.00 N ATOM 873 CA GLY A 67 -5.675 -17.041 5.701 1.00 0.00 C ATOM 874 C GLY A 67 -5.835 -15.609 5.227 1.00 0.00 C ATOM 875 O GLY A 67 -6.474 -15.352 4.207 1.00 0.00 O ATOM 0 H GLY A 67 -5.057 -17.743 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.708 -17.423 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.438 -17.663 5.233 1.00 0.00 H new ATOM 879 N THR A 68 -5.253 -14.673 5.972 1.00 0.00 N ATOM 880 CA THR A 68 -5.336 -13.260 5.624 1.00 0.00 C ATOM 881 C THR A 68 -3.950 -12.637 5.516 1.00 0.00 C ATOM 882 O THR A 68 -2.952 -13.253 5.893 1.00 0.00 O ATOM 883 CB THR A 68 -6.161 -12.474 6.661 1.00 0.00 C ATOM 884 OG1 THR A 68 -6.001 -13.059 7.959 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.634 -12.460 6.284 1.00 0.00 C ATOM 0 H THR A 68 -4.720 -14.868 6.819 1.00 0.00 H new ATOM 0 HA THR A 68 -5.833 -13.202 4.655 1.00 0.00 H new ATOM 0 HB THR A 68 -5.798 -11.447 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.527 -12.553 8.613 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.196 -11.899 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.756 -11.988 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.008 -13.483 6.241 1.00 0.00 H new ATOM 893 N TYR A 69 -3.893 -11.414 5.001 1.00 0.00 N ATOM 894 CA TYR A 69 -2.627 -10.709 4.842 1.00 0.00 C ATOM 895 C TYR A 69 -2.762 -9.247 5.254 1.00 0.00 C ATOM 896 O TYR A 69 -3.724 -8.573 4.884 1.00 0.00 O ATOM 897 CB TYR A 69 -2.147 -10.800 3.393 1.00 0.00 C ATOM 898 CG TYR A 69 -1.530 -12.136 3.042 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.303 -13.290 3.002 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.176 -12.244 2.752 1.00 0.00 C ATOM 901 CE1 TYR A 69 -1.745 -14.513 2.683 1.00 0.00 C ATOM 902 CE2 TYR A 69 0.391 -13.462 2.430 1.00 0.00 C ATOM 903 CZ TYR A 69 -0.398 -14.594 2.396 1.00 0.00 C ATOM 904 OH TYR A 69 0.163 -15.809 2.078 1.00 0.00 O ATOM 0 H TYR A 69 -4.710 -10.890 4.686 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.892 -11.184 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.990 -10.612 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.416 -10.012 3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.358 -13.230 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.444 -11.360 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.360 -15.401 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.445 -13.528 2.206 1.00 0.00 H new ATOM 0 HH TYR A 69 1.120 -15.692 1.902 1.00 0.00 H new ATOM 914 N ASP A 70 -1.792 -8.762 6.022 1.00 0.00 N ATOM 915 CA ASP A 70 -1.802 -7.379 6.483 1.00 0.00 C ATOM 916 C ASP A 70 -0.689 -6.577 5.816 1.00 0.00 C ATOM 917 O ASP A 70 0.492 -6.898 5.957 1.00 0.00 O ATOM 918 CB ASP A 70 -1.644 -7.325 8.003 1.00 0.00 C ATOM 919 CG ASP A 70 -2.792 -8.000 8.728 1.00 0.00 C ATOM 920 OD1 ASP A 70 -2.704 -9.222 8.973 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.778 -7.306 9.052 1.00 0.00 O ATOM 0 H ASP A 70 -0.989 -9.306 6.338 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.760 -6.937 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.707 -7.805 8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.578 -6.285 8.322 1.00 0.00 H new ATOM 926 N ILE A 71 -1.074 -5.534 5.087 1.00 0.00 N ATOM 927 CA ILE A 71 -0.108 -4.686 4.397 1.00 0.00 C ATOM 928 C ILE A 71 -0.207 -3.242 4.874 1.00 0.00 C ATOM 929 O ILE A 71 -1.290 -2.758 5.206 1.00 0.00 O ATOM 930 CB ILE A 71 -0.313 -4.726 2.872 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.289 -6.172 2.370 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.756 -3.901 2.173 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.097 -6.387 1.109 1.00 0.00 C ATOM 0 H ILE A 71 -2.047 -5.256 4.959 1.00 0.00 H new ATOM 0 HA ILE A 71 0.882 -5.077 4.633 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.287 -4.296 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.744 -6.467 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.672 -6.826 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.598 -3.939 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.697 -2.867 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.740 -4.305 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.035 -7.434 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.138 -6.124 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.701 -5.759 0.311 1.00 0.00 H new ATOM 945 N PHE A 72 0.930 -2.555 4.906 1.00 0.00 N ATOM 946 CA PHE A 72 0.973 -1.164 5.341 1.00 0.00 C ATOM 947 C PHE A 72 1.907 -0.345 4.455 1.00 0.00 C ATOM 948 O PHE A 72 2.844 -0.879 3.860 1.00 0.00 O ATOM 949 CB PHE A 72 1.430 -1.078 6.799 1.00 0.00 C ATOM 950 CG PHE A 72 0.848 -2.152 7.674 1.00 0.00 C ATOM 951 CD1 PHE A 72 1.182 -3.481 7.477 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.035 -1.830 8.693 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.649 -4.472 8.280 1.00 0.00 C ATOM 954 CE2 PHE A 72 -0.570 -2.815 9.500 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.230 -4.137 9.293 1.00 0.00 C ATOM 0 H PHE A 72 1.835 -2.940 4.635 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.033 -0.752 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.518 -1.141 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.154 -0.103 7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.868 -3.747 6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.307 -0.798 8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.919 -5.505 8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.254 -2.551 10.293 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.650 -4.908 9.922 1.00 0.00 H new ATOM 965 N TYR A 73 1.644 0.954 4.371 1.00 0.00 N ATOM 966 CA TYR A 73 2.459 1.847 3.556 1.00 0.00 C ATOM 967 C TYR A 73 2.225 3.304 3.944 1.00 0.00 C ATOM 968 O TYR A 73 1.221 3.638 4.574 1.00 0.00 O ATOM 969 CB TYR A 73 2.144 1.646 2.073 1.00 0.00 C ATOM 970 CG TYR A 73 0.763 2.118 1.677 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.510 3.461 1.430 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.289 1.219 1.550 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.750 3.896 1.069 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.553 1.645 1.188 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.778 2.984 0.949 1.00 0.00 C ATOM 976 OH TYR A 73 -3.035 3.413 0.589 1.00 0.00 O ATOM 0 H TYR A 73 0.873 1.412 4.857 1.00 0.00 H new ATOM 0 HA TYR A 73 3.507 1.606 3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.885 2.179 1.477 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.241 0.588 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.313 4.178 1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.116 0.170 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.930 4.944 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.360 0.933 1.093 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.583 2.642 0.332 1.00 0.00 H new ATOM 986 N THR A 74 3.159 4.170 3.561 1.00 0.00 N ATOM 987 CA THR A 74 3.057 5.591 3.868 1.00 0.00 C ATOM 988 C THR A 74 3.189 6.436 2.607 1.00 0.00 C ATOM 989 O THR A 74 3.949 6.100 1.700 1.00 0.00 O ATOM 990 CB THR A 74 4.134 6.025 4.879 1.00 0.00 C ATOM 991 OG1 THR A 74 4.059 5.212 6.055 1.00 0.00 O ATOM 992 CG2 THR A 74 3.963 7.489 5.257 1.00 0.00 C ATOM 0 H THR A 74 3.995 3.911 3.037 1.00 0.00 H new ATOM 0 HA THR A 74 2.072 5.750 4.307 1.00 0.00 H new ATOM 0 HB THR A 74 5.111 5.898 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.749 5.494 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.735 7.773 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.050 8.108 4.364 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.981 7.637 5.706 1.00 0.00 H new ATOM 1000 N ALA A 75 2.445 7.536 2.557 1.00 0.00 N ATOM 1001 CA ALA A 75 2.481 8.432 1.407 1.00 0.00 C ATOM 1002 C ALA A 75 3.257 9.704 1.728 1.00 0.00 C ATOM 1003 O ALA A 75 2.747 10.603 2.394 1.00 0.00 O ATOM 1004 CB ALA A 75 1.068 8.772 0.959 1.00 0.00 C ATOM 0 H ALA A 75 1.810 7.828 3.300 1.00 0.00 H new ATOM 0 HA ALA A 75 2.994 7.920 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.110 9.442 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.544 7.857 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.536 9.261 1.775 1.00 0.00 H new ATOM 1010 N ALA A 76 4.495 9.773 1.249 1.00 0.00 N ATOM 1011 CA ALA A 76 5.341 10.936 1.484 1.00 0.00 C ATOM 1012 C ALA A 76 4.695 12.205 0.937 1.00 0.00 C ATOM 1013 O ALA A 76 4.651 13.233 1.613 1.00 0.00 O ATOM 1014 CB ALA A 76 6.712 10.727 0.858 1.00 0.00 C ATOM 0 H ALA A 76 4.934 9.037 0.696 1.00 0.00 H new ATOM 0 HA ALA A 76 5.460 11.056 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.333 11.604 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.184 9.849 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.603 10.578 -0.216 1.00 0.00 H new ATOM 1020 N LYS A 77 4.195 12.126 -0.291 1.00 0.00 N ATOM 1021 CA LYS A 77 3.550 13.266 -0.930 1.00 0.00 C ATOM 1022 C LYS A 77 2.228 12.856 -1.572 1.00 0.00 C ATOM 1023 O LYS A 77 2.031 11.704 -1.961 1.00 0.00 O ATOM 1024 CB LYS A 77 4.475 13.875 -1.987 1.00 0.00 C ATOM 1025 CG LYS A 77 5.793 14.378 -1.425 1.00 0.00 C ATOM 1026 CD LYS A 77 5.633 15.732 -0.755 1.00 0.00 C ATOM 1027 CE LYS A 77 5.499 16.850 -1.779 1.00 0.00 C ATOM 1028 NZ LYS A 77 5.456 18.191 -1.135 1.00 0.00 N ATOM 0 H LYS A 77 4.224 11.283 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 77 3.344 14.012 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.678 13.127 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.959 14.701 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.181 13.658 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.527 14.453 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.753 15.719 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.493 15.926 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.338 16.808 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.592 16.699 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.364 18.925 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.641 18.241 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.333 18.346 -0.597 1.00 0.00 H new ATOM 1042 N PRO A 78 1.301 13.818 -1.687 1.00 0.00 N ATOM 1043 CA PRO A 78 -0.017 13.580 -2.283 1.00 0.00 C ATOM 1044 C PRO A 78 0.062 13.340 -3.787 1.00 0.00 C ATOM 1045 O PRO A 78 1.007 13.772 -4.446 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.778 14.875 -1.987 1.00 0.00 C ATOM 1047 CG PRO A 78 0.280 15.912 -1.844 1.00 0.00 C ATOM 1048 CD PRO A 78 1.469 15.213 -1.245 1.00 0.00 C ATOM 0 HA PRO A 78 -0.493 12.687 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.468 15.122 -2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.371 14.786 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.531 16.349 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.057 16.727 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.407 15.638 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.477 15.292 -0.158 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.939 12.647 -4.324 1.00 0.00 N ATOM 1057 CA GLY A 79 -0.963 12.362 -5.747 1.00 0.00 C ATOM 1058 C GLY A 79 -1.801 11.144 -6.079 1.00 0.00 C ATOM 1059 O GLY A 79 -2.762 10.830 -5.376 1.00 0.00 O ATOM 0 H GLY A 79 -1.732 12.279 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.357 13.227 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.056 12.206 -6.101 1.00 0.00 H new ATOM 1063 N THR A 80 -1.438 10.453 -7.156 1.00 0.00 N ATOM 1064 CA THR A 80 -2.165 9.264 -7.582 1.00 0.00 C ATOM 1065 C THR A 80 -1.341 8.003 -7.348 1.00 0.00 C ATOM 1066 O THR A 80 -0.385 7.731 -8.074 1.00 0.00 O ATOM 1067 CB THR A 80 -2.548 9.344 -9.072 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.214 10.583 -9.341 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.450 8.183 -9.462 1.00 0.00 C ATOM 0 H THR A 80 -0.645 10.697 -7.749 1.00 0.00 H new ATOM 0 HA THR A 80 -3.074 9.217 -6.983 1.00 0.00 H new ATOM 0 HB THR A 80 -1.634 9.288 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.453 10.627 -10.291 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.707 8.261 -10.518 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.930 7.242 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.361 8.213 -8.864 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.719 7.235 -6.331 1.00 0.00 N ATOM 1078 CA TYR A 81 -1.014 6.003 -6.001 1.00 0.00 C ATOM 1079 C TYR A 81 -1.710 4.794 -6.618 1.00 0.00 C ATOM 1080 O TYR A 81 -2.939 4.732 -6.673 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.924 5.834 -4.483 1.00 0.00 C ATOM 1082 CG TYR A 81 0.110 6.727 -3.835 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.055 8.107 -3.985 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.139 6.191 -3.072 1.00 0.00 C ATOM 1085 CE1 TYR A 81 0.997 8.927 -3.395 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.085 7.003 -2.477 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.010 8.370 -2.641 1.00 0.00 C ATOM 1088 OH TYR A 81 2.951 9.183 -2.051 1.00 0.00 O ATOM 0 H TYR A 81 -2.510 7.445 -5.722 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.007 6.069 -6.414 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.899 6.044 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.689 4.794 -4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.738 8.546 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.201 5.121 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.941 9.998 -3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.879 6.570 -1.887 1.00 0.00 H new ATOM 0 HH TYR A 81 2.768 10.117 -2.283 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.916 3.835 -7.083 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.454 2.626 -7.696 1.00 0.00 C ATOM 1100 C VAL A 82 -1.000 1.379 -6.944 1.00 0.00 C ATOM 1101 O VAL A 82 0.193 1.078 -6.887 1.00 0.00 O ATOM 1102 CB VAL A 82 -1.028 2.507 -9.171 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.449 1.161 -9.741 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.614 3.649 -9.988 1.00 0.00 C ATOM 0 H VAL A 82 0.103 3.872 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.540 2.702 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 82 0.059 2.573 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.140 1.095 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.977 0.361 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.533 1.062 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.303 3.549 -11.028 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.702 3.617 -9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.257 4.600 -9.592 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.957 0.659 -6.371 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.654 -0.556 -5.625 1.00 0.00 C ATOM 1116 C ILE A 83 -2.061 -1.799 -6.410 1.00 0.00 C ATOM 1117 O ILE A 83 -3.206 -1.926 -6.841 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.367 -0.570 -4.260 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.827 0.550 -3.367 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -2.193 -1.922 -3.585 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.622 0.746 -2.096 1.00 0.00 C ATOM 0 H ILE A 83 -2.949 0.895 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.576 -0.567 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.432 -0.400 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.791 0.329 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.823 1.483 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.703 -1.916 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.620 -2.701 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.132 -2.119 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.182 1.555 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.652 0.998 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.605 -0.173 -1.511 1.00 0.00 H new ATOM 1133 N TYR A 84 -1.114 -2.713 -6.591 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.373 -3.946 -7.324 1.00 0.00 C ATOM 1135 C TYR A 84 -1.556 -5.121 -6.368 1.00 0.00 C ATOM 1136 O TYR A 84 -0.675 -5.427 -5.566 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.226 -4.238 -8.293 1.00 0.00 C ATOM 1138 CG TYR A 84 -0.107 -3.229 -9.413 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -1.139 -3.052 -10.326 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.037 -2.455 -9.558 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -1.037 -2.131 -11.351 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.148 -1.531 -10.580 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.110 -1.374 -11.473 1.00 0.00 C ATOM 1144 OH TYR A 84 0.217 -0.456 -12.493 1.00 0.00 O ATOM 0 H TYR A 84 -0.160 -2.623 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.295 -3.815 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.711 -4.263 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.368 -5.230 -8.722 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.037 -3.645 -10.233 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.853 -2.577 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.849 -2.005 -12.052 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.043 -0.935 -10.678 1.00 0.00 H new ATOM 0 HH TYR A 84 1.085 -0.005 -12.438 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.710 -5.775 -6.459 1.00 0.00 N ATOM 1155 CA VAL A 85 -3.012 -6.917 -5.605 1.00 0.00 C ATOM 1156 C VAL A 85 -3.279 -8.168 -6.434 1.00 0.00 C ATOM 1157 O VAL A 85 -4.166 -8.181 -7.287 1.00 0.00 O ATOM 1158 CB VAL A 85 -4.231 -6.639 -4.706 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.498 -7.822 -3.788 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -4.020 -5.366 -3.900 1.00 0.00 C ATOM 0 H VAL A 85 -3.451 -5.533 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.137 -7.082 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.105 -6.498 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.363 -7.607 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.696 -8.710 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.626 -7.997 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.891 -5.185 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.135 -5.475 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.882 -4.524 -4.579 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.507 -9.219 -6.176 1.00 0.00 N ATOM 1171 CA ARG A 86 -2.662 -10.476 -6.899 1.00 0.00 C ATOM 1172 C ARG A 86 -2.781 -11.648 -5.931 1.00 0.00 C ATOM 1173 O ARG A 86 -2.037 -11.739 -4.954 1.00 0.00 O ATOM 1174 CB ARG A 86 -1.476 -10.695 -7.840 1.00 0.00 C ATOM 1175 CG ARG A 86 -1.144 -12.161 -8.069 1.00 0.00 C ATOM 1176 CD ARG A 86 0.068 -12.323 -8.973 1.00 0.00 C ATOM 1177 NE ARG A 86 -0.300 -12.322 -10.387 1.00 0.00 N ATOM 1178 CZ ARG A 86 0.587 -12.338 -11.376 1.00 0.00 C ATOM 1179 NH1 ARG A 86 1.885 -12.356 -11.108 1.00 0.00 N ATOM 1180 NH2 ARG A 86 0.174 -12.336 -12.638 1.00 0.00 N ATOM 0 H ARG A 86 -1.769 -9.225 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.578 -10.419 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.693 -10.226 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.600 -10.192 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.953 -12.646 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.002 -12.664 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.774 -11.515 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.578 -13.256 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.291 -12.308 -10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.206 -12.358 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.563 -12.368 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.824 -12.322 -12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.855 -12.348 -13.397 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.722 -12.545 -6.208 1.00 0.00 N ATOM 1195 CA PHE A 87 -3.941 -13.711 -5.362 1.00 0.00 C ATOM 1196 C PHE A 87 -3.674 -15.001 -6.133 1.00 0.00 C ATOM 1197 O PHE A 87 -4.326 -15.281 -7.138 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.371 -13.714 -4.819 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.704 -14.936 -4.012 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -6.134 -16.097 -4.633 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -5.587 -14.923 -2.631 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -6.441 -17.224 -3.893 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -5.892 -16.047 -1.885 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.320 -17.198 -2.517 1.00 0.00 C ATOM 0 H PHE A 87 -4.345 -12.486 -7.013 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.244 -13.657 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.518 -12.829 -4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.068 -13.639 -5.654 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.231 -16.122 -5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.254 -14.025 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.775 -18.123 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.796 -16.025 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.560 -18.077 -1.936 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.712 -15.783 -5.654 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.375 -17.032 -6.310 1.00 0.00 C ATOM 1216 C GLY A 88 -2.131 -16.860 -7.796 1.00 0.00 C ATOM 1217 O GLY A 88 -2.488 -17.724 -8.595 1.00 0.00 O ATOM 0 H GLY A 88 -2.160 -15.573 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.484 -17.454 -5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.183 -17.748 -6.158 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.521 -15.738 -8.167 1.00 0.00 N ATOM 1222 CA GLY A 89 -1.242 -15.474 -9.567 1.00 0.00 C ATOM 1223 C GLY A 89 -2.465 -14.992 -10.322 1.00 0.00 C ATOM 1224 O GLY A 89 -2.557 -15.155 -11.538 1.00 0.00 O ATOM 0 H GLY A 89 -1.215 -15.008 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.454 -14.725 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.864 -16.382 -10.036 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.410 -14.399 -9.598 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.634 -13.893 -10.206 1.00 0.00 C ATOM 1230 C VAL A 90 -4.916 -12.461 -9.765 1.00 0.00 C ATOM 1231 O VAL A 90 -5.127 -12.196 -8.581 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.845 -14.776 -9.850 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -7.040 -14.419 -10.720 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.490 -16.248 -9.995 1.00 0.00 C ATOM 0 H VAL A 90 -3.350 -14.258 -8.590 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.483 -13.915 -11.285 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.115 -14.591 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.886 -15.053 -10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.306 -13.374 -10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.786 -14.574 -11.769 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.356 -16.858 -9.740 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.194 -16.451 -11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.665 -16.491 -9.325 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.918 -11.542 -10.724 1.00 0.00 N ATOM 1245 CA ASP A 91 -5.176 -10.136 -10.434 1.00 0.00 C ATOM 1246 C ASP A 91 -6.665 -9.892 -10.207 1.00 0.00 C ATOM 1247 O ASP A 91 -7.442 -9.804 -11.158 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.672 -9.257 -11.580 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.687 -7.782 -11.228 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.957 -7.386 -10.296 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.430 -7.024 -11.886 1.00 0.00 O ATOM 0 H ASP A 91 -4.744 -11.745 -11.708 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.640 -9.874 -9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.657 -9.555 -11.843 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.291 -9.424 -12.461 1.00 0.00 H new ATOM 1256 N ILE A 92 -7.055 -9.786 -8.940 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.450 -9.552 -8.589 1.00 0.00 C ATOM 1258 C ILE A 92 -9.089 -8.531 -9.524 1.00 0.00 C ATOM 1259 O ILE A 92 -8.414 -7.695 -10.125 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.589 -9.059 -7.137 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.557 -7.968 -6.844 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.431 -10.219 -6.166 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.404 -7.659 -5.372 1.00 0.00 C ATOM 0 H ILE A 92 -6.425 -9.858 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.966 -10.507 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.585 -8.635 -7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.591 -8.276 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.844 -7.057 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.532 -9.854 -5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.201 -10.965 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.447 -10.670 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.656 -6.877 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.359 -7.320 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.086 -8.557 -4.843 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.422 -8.599 -9.650 1.00 0.00 N ATOM 1276 CA PRO A 93 -11.183 -7.687 -10.510 1.00 0.00 C ATOM 1277 C PRO A 93 -11.209 -6.263 -9.964 1.00 0.00 C ATOM 1278 O PRO A 93 -11.856 -5.383 -10.531 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.592 -8.287 -10.505 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.675 -9.047 -9.226 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.290 -9.571 -8.965 1.00 0.00 C ATOM 0 HA PRO A 93 -10.744 -7.603 -11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.354 -7.509 -10.553 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.748 -8.939 -11.364 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.009 -8.405 -8.411 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.393 -9.863 -9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.074 -9.620 -7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.159 -10.577 -9.364 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.501 -6.044 -8.861 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.443 -4.726 -8.238 1.00 0.00 C ATOM 1291 C ASN A 94 -9.088 -4.069 -8.482 1.00 0.00 C ATOM 1292 O ASN A 94 -8.892 -2.895 -8.171 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.706 -4.837 -6.736 1.00 0.00 C ATOM 1294 CG ASN A 94 -12.186 -4.905 -6.411 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.814 -3.889 -6.116 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.749 -6.106 -6.463 1.00 0.00 N ATOM 0 H ASN A 94 -9.959 -6.762 -8.380 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.215 -4.103 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.210 -5.727 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.264 -3.979 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.741 -6.214 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.189 -6.921 -6.712 1.00 0.00 H new ATOM 1303 N SER A 95 -8.157 -4.834 -9.042 1.00 0.00 N ATOM 1304 CA SER A 95 -6.820 -4.328 -9.324 1.00 0.00 C ATOM 1305 C SER A 95 -6.714 -3.847 -10.768 1.00 0.00 C ATOM 1306 O SER A 95 -7.293 -4.429 -11.687 1.00 0.00 O ATOM 1307 CB SER A 95 -5.773 -5.412 -9.059 1.00 0.00 C ATOM 1308 OG SER A 95 -4.551 -4.845 -8.619 1.00 0.00 O ATOM 0 H SER A 95 -8.305 -5.807 -9.309 1.00 0.00 H new ATOM 0 HA SER A 95 -6.633 -3.483 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.147 -6.107 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.603 -5.988 -9.969 1.00 0.00 H new ATOM 0 HG SER A 95 -3.812 -5.210 -9.148 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.959 -2.758 -10.975 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.267 -2.058 -9.890 1.00 0.00 C ATOM 1316 C PRO A 96 -6.232 -1.331 -8.960 1.00 0.00 C ATOM 1317 O PRO A 96 -7.440 -1.302 -9.202 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.376 -1.053 -10.626 1.00 0.00 C ATOM 1319 CG PRO A 96 -5.062 -0.824 -11.930 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.722 -2.128 -12.285 1.00 0.00 C ATOM 0 HA PRO A 96 -4.717 -2.746 -9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.276 -0.125 -10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.370 -1.447 -10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.798 -0.024 -11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.349 -0.525 -12.699 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.653 -1.972 -12.830 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.082 -2.743 -12.917 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.693 -0.743 -7.896 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.508 -0.017 -6.930 1.00 0.00 C ATOM 1330 C PHE A 97 -6.200 1.477 -6.972 1.00 0.00 C ATOM 1331 O PHE A 97 -5.121 1.912 -6.569 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.269 -0.558 -5.519 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.943 -1.875 -5.260 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.679 -2.973 -6.061 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -7.843 -2.013 -4.214 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.297 -4.186 -5.825 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.463 -3.225 -3.973 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.192 -4.311 -4.780 1.00 0.00 C ATOM 0 H PHE A 97 -4.696 -0.756 -7.682 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.555 -0.162 -7.195 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.197 -0.670 -5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.626 0.173 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.981 -2.880 -6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.062 -1.165 -3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.081 -5.035 -6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.159 -3.322 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.679 -5.257 -4.595 1.00 0.00 H new ATOM 1348 N THR A 98 -7.155 2.259 -7.467 1.00 0.00 N ATOM 1349 CA THR A 98 -6.986 3.703 -7.565 1.00 0.00 C ATOM 1350 C THR A 98 -7.049 4.359 -6.190 1.00 0.00 C ATOM 1351 O THR A 98 -8.117 4.453 -5.584 1.00 0.00 O ATOM 1352 CB THR A 98 -8.060 4.334 -8.472 1.00 0.00 C ATOM 1353 OG1 THR A 98 -8.105 3.648 -9.728 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.774 5.810 -8.703 1.00 0.00 C ATOM 0 H THR A 98 -8.054 1.916 -7.806 1.00 0.00 H new ATOM 0 HA THR A 98 -6.003 3.877 -8.003 1.00 0.00 H new ATOM 0 HB THR A 98 -9.025 4.242 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.791 4.054 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.545 6.234 -9.346 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.770 6.334 -7.747 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.801 5.922 -9.182 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.899 4.812 -5.702 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.824 5.461 -4.399 1.00 0.00 C ATOM 1364 C VAL A 99 -5.275 6.878 -4.522 1.00 0.00 C ATOM 1365 O VAL A 99 -4.118 7.076 -4.892 1.00 0.00 O ATOM 1366 CB VAL A 99 -4.940 4.662 -3.424 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -5.100 5.186 -2.005 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.274 3.180 -3.494 1.00 0.00 C ATOM 0 H VAL A 99 -5.006 4.741 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.840 5.501 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.898 4.791 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.468 4.609 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.806 6.235 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.141 5.090 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.640 2.631 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.320 3.030 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.102 2.816 -4.507 1.00 0.00 H new ATOM 1378 N MET A 100 -6.112 7.860 -4.206 1.00 0.00 N ATOM 1379 CA MET A 100 -5.709 9.260 -4.279 1.00 0.00 C ATOM 1380 C MET A 100 -5.352 9.796 -2.897 1.00 0.00 C ATOM 1381 O MET A 100 -6.233 10.070 -2.081 1.00 0.00 O ATOM 1382 CB MET A 100 -6.828 10.104 -4.894 1.00 0.00 C ATOM 1383 CG MET A 100 -6.493 11.584 -4.985 1.00 0.00 C ATOM 1384 SD MET A 100 -7.333 12.403 -6.355 1.00 0.00 S ATOM 1385 CE MET A 100 -5.937 12.874 -7.374 1.00 0.00 C ATOM 0 H MET A 100 -7.073 7.713 -3.897 1.00 0.00 H new ATOM 0 HA MET A 100 -4.825 9.325 -4.913 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.049 9.728 -5.893 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.733 9.981 -4.300 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.768 12.073 -4.051 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.416 11.702 -5.101 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.294 13.393 -8.263 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.280 13.534 -6.808 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.386 11.982 -7.671 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.057 9.943 -2.640 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.584 10.448 -1.357 1.00 0.00 C ATOM 1397 C ALA A 101 -3.681 11.968 -1.296 1.00 0.00 C ATOM 1398 O ALA A 101 -3.225 12.667 -2.201 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.153 9.997 -1.106 1.00 0.00 C ATOM 0 H ALA A 101 -3.316 9.719 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.224 10.038 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.814 10.382 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.111 8.908 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.507 10.378 -1.897 1.00 0.00 H new ATOM 1405 N THR A 102 -4.278 12.477 -0.222 1.00 0.00 N ATOM 1406 CA THR A 102 -4.436 13.915 -0.044 1.00 0.00 C ATOM 1407 C THR A 102 -3.986 14.349 1.347 1.00 0.00 C ATOM 1408 O THR A 102 -4.116 13.599 2.314 1.00 0.00 O ATOM 1409 CB THR A 102 -5.898 14.350 -0.258 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.770 13.554 0.551 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.293 14.217 -1.722 1.00 0.00 C ATOM 0 H THR A 102 -4.660 11.914 0.538 1.00 0.00 H new ATOM 0 HA THR A 102 -3.808 14.398 -0.793 1.00 0.00 H new ATOM 0 HB THR A 102 -5.989 15.396 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.697 13.838 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.329 14.530 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.646 14.848 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.187 13.178 -2.035 1.00 0.00 H new