USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 62 LYS NZ :NH3+ -120:sc= -0.373 (180deg=-1.81!) USER MOD Set 1.2: A 64 GLN :FLIP amide:sc= -0.102 F(o=-1,f=-0.47) USER MOD Set 2.1: A 44 MET CE :methyl -145:sc= 0 (180deg=0) USER MOD Set 2.2: A 46 THR OG1 : rot 100:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= -0.0253 (180deg=-0.809) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 52 THR OG1 : rot -11:sc= 0.161 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -173:sc= 0 (180deg=-0.091) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -51:sc= 0.562 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= -2.02 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= -0.0512 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -5.789 5.845 -9.749 1.00 0.00 N ATOM 133 CA GLU A 12 -4.666 6.360 -8.975 1.00 0.00 C ATOM 134 C GLU A 12 -4.713 5.844 -7.539 1.00 0.00 C ATOM 135 O GLU A 12 -4.358 6.558 -6.601 1.00 0.00 O ATOM 136 CB GLU A 12 -4.673 7.890 -8.980 1.00 0.00 C ATOM 137 CG GLU A 12 -3.963 8.498 -10.178 1.00 0.00 C ATOM 138 CD GLU A 12 -4.759 8.357 -11.461 1.00 0.00 C ATOM 139 OE1 GLU A 12 -4.645 7.300 -12.116 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.495 9.303 -11.809 1.00 0.00 O ATOM 0 HA GLU A 12 -3.745 6.007 -9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.705 8.240 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.200 8.250 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.774 9.554 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.992 8.018 -10.302 1.00 0.00 H new ATOM 147 N ILE A 13 -5.153 4.601 -7.377 1.00 0.00 N ATOM 148 CA ILE A 13 -5.246 3.990 -6.057 1.00 0.00 C ATOM 149 C ILE A 13 -4.925 2.501 -6.117 1.00 0.00 C ATOM 150 O ILE A 13 -5.292 1.814 -7.071 1.00 0.00 O ATOM 151 CB ILE A 13 -6.648 4.178 -5.447 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.973 5.667 -5.310 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.735 3.485 -4.096 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.325 5.935 -4.687 1.00 0.00 C ATOM 0 H ILE A 13 -5.451 3.997 -8.143 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.514 4.492 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.382 3.725 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.202 6.145 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.938 6.131 -6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.732 3.627 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.542 2.419 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.994 3.911 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.488 7.011 -4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.105 5.487 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.358 5.501 -3.688 1.00 0.00 H new ATOM 166 N ILE A 14 -4.240 2.007 -5.091 1.00 0.00 N ATOM 167 CA ILE A 14 -3.872 0.598 -5.026 1.00 0.00 C ATOM 168 C ILE A 14 -4.005 0.061 -3.605 1.00 0.00 C ATOM 169 O ILE A 14 -3.350 0.547 -2.683 1.00 0.00 O ATOM 170 CB ILE A 14 -2.431 0.369 -5.516 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.089 1.350 -6.640 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.254 -1.067 -5.988 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.613 1.408 -6.964 1.00 0.00 C ATOM 0 H ILE A 14 -3.929 2.562 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.559 0.062 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.748 0.545 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.639 1.067 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.430 2.346 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.230 -1.213 -6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.461 -1.749 -5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.944 -1.268 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.445 2.123 -7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.058 1.721 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.270 0.422 -7.277 1.00 0.00 H new ATOM 185 N GLU A 15 -4.856 -0.946 -3.436 1.00 0.00 N ATOM 186 CA GLU A 15 -5.073 -1.550 -2.126 1.00 0.00 C ATOM 187 C GLU A 15 -4.479 -2.955 -2.070 1.00 0.00 C ATOM 188 O GLU A 15 -4.795 -3.808 -2.898 1.00 0.00 O ATOM 189 CB GLU A 15 -6.569 -1.604 -1.806 1.00 0.00 C ATOM 190 CG GLU A 15 -6.894 -2.392 -0.549 1.00 0.00 C ATOM 191 CD GLU A 15 -8.270 -3.027 -0.599 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.271 -2.280 -0.573 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.347 -4.272 -0.664 1.00 0.00 O ATOM 0 H GLU A 15 -5.406 -1.361 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.571 -0.932 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.945 -0.587 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.097 -2.048 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.144 -3.170 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.834 -1.731 0.316 1.00 0.00 H new ATOM 200 N GLY A 16 -3.616 -3.187 -1.086 1.00 0.00 N ATOM 201 CA GLY A 16 -2.990 -4.488 -0.939 1.00 0.00 C ATOM 202 C GLY A 16 -2.787 -4.873 0.513 1.00 0.00 C ATOM 203 O GLY A 16 -2.955 -4.047 1.410 1.00 0.00 O ATOM 0 H GLY A 16 -3.339 -2.497 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.606 -5.242 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.027 -4.484 -1.449 1.00 0.00 H new ATOM 207 N GLU A 17 -2.427 -6.132 0.745 1.00 0.00 N ATOM 208 CA GLU A 17 -2.203 -6.624 2.099 1.00 0.00 C ATOM 209 C GLU A 17 -0.766 -6.365 2.542 1.00 0.00 C ATOM 210 O GLU A 17 0.160 -7.059 2.123 1.00 0.00 O ATOM 211 CB GLU A 17 -2.510 -8.121 2.178 1.00 0.00 C ATOM 212 CG GLU A 17 -2.454 -8.680 3.590 1.00 0.00 C ATOM 213 CD GLU A 17 -3.118 -10.038 3.707 1.00 0.00 C ATOM 214 OE1 GLU A 17 -2.960 -10.857 2.777 1.00 0.00 O ATOM 215 OE2 GLU A 17 -3.796 -10.282 4.726 1.00 0.00 O ATOM 0 H GLU A 17 -2.285 -6.829 0.014 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.874 -6.086 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.502 -8.302 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.800 -8.663 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.413 -8.760 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.940 -7.982 4.272 1.00 0.00 H new ATOM 222 N VAL A 18 -0.588 -5.359 3.393 1.00 0.00 N ATOM 223 CA VAL A 18 0.735 -5.007 3.895 1.00 0.00 C ATOM 224 C VAL A 18 1.584 -6.251 4.127 1.00 0.00 C ATOM 225 O VAL A 18 1.408 -6.960 5.118 1.00 0.00 O ATOM 226 CB VAL A 18 0.643 -4.209 5.209 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.026 -3.773 5.667 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.275 -3.008 5.040 1.00 0.00 C ATOM 0 H VAL A 18 -1.344 -4.774 3.749 1.00 0.00 H new ATOM 0 HA VAL A 18 1.207 -4.386 3.134 1.00 0.00 H new ATOM 0 HB VAL A 18 0.219 -4.856 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.941 -3.211 6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.649 -4.652 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.481 -3.143 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.328 -2.456 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.117 -2.358 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.273 -3.349 4.763 1.00 0.00 H new ATOM 238 N VAL A 19 2.506 -6.512 3.206 1.00 0.00 N ATOM 239 CA VAL A 19 3.385 -7.671 3.310 1.00 0.00 C ATOM 240 C VAL A 19 4.616 -7.353 4.152 1.00 0.00 C ATOM 241 O VAL A 19 4.898 -8.033 5.138 1.00 0.00 O ATOM 242 CB VAL A 19 3.839 -8.158 1.921 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.801 -9.328 2.054 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.636 -8.540 1.072 1.00 0.00 C ATOM 0 H VAL A 19 2.664 -5.936 2.379 1.00 0.00 H new ATOM 0 HA VAL A 19 2.811 -8.461 3.794 1.00 0.00 H new ATOM 0 HB VAL A 19 4.363 -7.343 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.111 -9.659 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.677 -9.016 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.306 -10.149 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.975 -8.882 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.082 -9.340 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.988 -7.673 0.949 1.00 0.00 H new ATOM 254 N GLU A 20 5.345 -6.314 3.756 1.00 0.00 N ATOM 255 CA GLU A 20 6.547 -5.907 4.475 1.00 0.00 C ATOM 256 C GLU A 20 6.754 -4.398 4.377 1.00 0.00 C ATOM 257 O GLU A 20 6.511 -3.794 3.332 1.00 0.00 O ATOM 258 CB GLU A 20 7.771 -6.638 3.922 1.00 0.00 C ATOM 259 CG GLU A 20 9.055 -6.332 4.675 1.00 0.00 C ATOM 260 CD GLU A 20 10.285 -6.884 3.981 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.299 -6.914 2.733 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.233 -7.287 4.687 1.00 0.00 O ATOM 0 H GLU A 20 5.125 -5.740 2.942 1.00 0.00 H new ATOM 0 HA GLU A 20 6.419 -6.172 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.588 -7.712 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.902 -6.369 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.159 -5.253 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.991 -6.750 5.680 1.00 0.00 H new ATOM 269 N ILE A 21 7.204 -3.796 5.473 1.00 0.00 N ATOM 270 CA ILE A 21 7.444 -2.359 5.511 1.00 0.00 C ATOM 271 C ILE A 21 8.882 -2.053 5.917 1.00 0.00 C ATOM 272 O ILE A 21 9.205 -2.010 7.103 1.00 0.00 O ATOM 273 CB ILE A 21 6.485 -1.653 6.487 1.00 0.00 C ATOM 274 CG1 ILE A 21 5.034 -1.853 6.045 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.818 -0.172 6.579 1.00 0.00 C ATOM 276 CD1 ILE A 21 4.023 -1.500 7.113 1.00 0.00 C ATOM 0 H ILE A 21 7.410 -4.281 6.346 1.00 0.00 H new ATOM 0 HA ILE A 21 7.265 -1.982 4.504 1.00 0.00 H new ATOM 0 HB ILE A 21 6.607 -2.094 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.845 -1.244 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.892 -2.893 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.131 0.313 7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.841 -0.051 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.721 0.285 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.016 -1.666 6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.186 -2.127 7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.137 -0.452 7.390 1.00 0.00 H new ATOM 288 N GLN A 22 9.739 -1.839 4.924 1.00 0.00 N ATOM 289 CA GLN A 22 11.142 -1.535 5.178 1.00 0.00 C ATOM 290 C GLN A 22 11.368 -0.029 5.253 1.00 0.00 C ATOM 291 O GLN A 22 10.671 0.746 4.598 1.00 0.00 O ATOM 292 CB GLN A 22 12.023 -2.142 4.085 1.00 0.00 C ATOM 293 CG GLN A 22 13.442 -2.441 4.543 1.00 0.00 C ATOM 294 CD GLN A 22 14.339 -1.219 4.499 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.964 -0.858 5.497 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.406 -0.575 3.340 1.00 0.00 N ATOM 0 H GLN A 22 9.486 -1.871 3.936 1.00 0.00 H new ATOM 0 HA GLN A 22 11.414 -1.972 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.563 -3.064 3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.060 -1.457 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.417 -2.832 5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.867 -3.222 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.871 -0.910 2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.993 0.255 3.251 1.00 0.00 H new ATOM 305 N ILE A 23 12.345 0.378 6.055 1.00 0.00 N ATOM 306 CA ILE A 23 12.663 1.792 6.214 1.00 0.00 C ATOM 307 C ILE A 23 14.112 2.076 5.833 1.00 0.00 C ATOM 308 O ILE A 23 15.040 1.672 6.534 1.00 0.00 O ATOM 309 CB ILE A 23 12.423 2.264 7.661 1.00 0.00 C ATOM 310 CG1 ILE A 23 10.979 1.980 8.079 1.00 0.00 C ATOM 311 CG2 ILE A 23 12.738 3.746 7.794 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.983 2.976 7.526 1.00 0.00 C ATOM 0 H ILE A 23 12.930 -0.251 6.605 1.00 0.00 H new ATOM 0 HA ILE A 23 12.000 2.341 5.546 1.00 0.00 H new ATOM 0 HB ILE A 23 13.089 1.711 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.703 0.979 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.917 1.982 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.564 4.064 8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.781 3.921 7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.095 4.316 7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.980 2.713 7.863 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.234 3.976 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.016 2.957 6.437 1.00 0.00 H new ATOM 437 N LYS A 33 13.610 11.489 4.044 1.00 0.00 N ATOM 438 CA LYS A 33 13.433 10.101 4.454 1.00 0.00 C ATOM 439 C LYS A 33 12.729 9.298 3.365 1.00 0.00 C ATOM 440 O LYS A 33 11.818 9.796 2.703 1.00 0.00 O ATOM 441 CB LYS A 33 12.630 10.031 5.755 1.00 0.00 C ATOM 442 CG LYS A 33 13.436 10.400 6.988 1.00 0.00 C ATOM 443 CD LYS A 33 12.908 9.701 8.229 1.00 0.00 C ATOM 444 CE LYS A 33 13.483 10.309 9.499 1.00 0.00 C ATOM 445 NZ LYS A 33 12.866 9.726 10.723 1.00 0.00 N ATOM 0 HA LYS A 33 14.419 9.668 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.772 10.699 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.238 9.021 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.481 10.131 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.403 11.479 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.820 9.770 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.159 8.641 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.561 10.147 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.323 11.387 9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.285 10.167 11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.841 9.903 10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.041 8.701 10.745 1.00 0.00 H new ATOM 459 N VAL A 34 13.155 8.052 3.186 1.00 0.00 N ATOM 460 CA VAL A 34 12.564 7.178 2.180 1.00 0.00 C ATOM 461 C VAL A 34 12.420 5.754 2.704 1.00 0.00 C ATOM 462 O VAL A 34 13.221 5.297 3.518 1.00 0.00 O ATOM 463 CB VAL A 34 13.406 7.156 0.891 1.00 0.00 C ATOM 464 CG1 VAL A 34 13.464 8.543 0.267 1.00 0.00 C ATOM 465 CG2 VAL A 34 14.805 6.633 1.178 1.00 0.00 C ATOM 0 H VAL A 34 13.908 7.625 3.725 1.00 0.00 H new ATOM 0 HA VAL A 34 11.576 7.580 1.953 1.00 0.00 H new ATOM 0 HB VAL A 34 12.930 6.483 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.063 8.508 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.455 8.875 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.916 9.241 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.386 6.624 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.292 7.279 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.740 5.620 1.576 1.00 0.00 H new ATOM 475 N GLY A 35 11.391 5.056 2.231 1.00 0.00 N ATOM 476 CA GLY A 35 11.161 3.690 2.663 1.00 0.00 C ATOM 477 C GLY A 35 10.513 2.843 1.586 1.00 0.00 C ATOM 478 O GLY A 35 9.959 3.369 0.620 1.00 0.00 O ATOM 0 H GLY A 35 10.713 5.412 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.110 3.239 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.526 3.694 3.549 1.00 0.00 H new ATOM 482 N LYS A 36 10.583 1.526 1.749 1.00 0.00 N ATOM 483 CA LYS A 36 10.000 0.603 0.783 1.00 0.00 C ATOM 484 C LYS A 36 8.809 -0.135 1.386 1.00 0.00 C ATOM 485 O LYS A 36 8.820 -0.494 2.564 1.00 0.00 O ATOM 486 CB LYS A 36 11.050 -0.404 0.310 1.00 0.00 C ATOM 487 CG LYS A 36 11.976 0.142 -0.764 1.00 0.00 C ATOM 488 CD LYS A 36 12.469 -0.959 -1.688 1.00 0.00 C ATOM 489 CE LYS A 36 13.725 -1.623 -1.143 1.00 0.00 C ATOM 490 NZ LYS A 36 13.424 -2.522 0.005 1.00 0.00 N ATOM 0 H LYS A 36 11.038 1.074 2.542 1.00 0.00 H new ATOM 0 HA LYS A 36 9.651 1.184 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.647 -0.723 1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.545 -1.290 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.452 0.900 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.828 0.634 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.686 -1.707 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.675 -0.543 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.206 -2.195 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.433 -0.857 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.163 -3.250 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.397 -1.966 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.501 -2.978 -0.144 1.00 0.00 H new ATOM 504 N LEU A 37 7.783 -0.359 0.572 1.00 0.00 N ATOM 505 CA LEU A 37 6.584 -1.056 1.025 1.00 0.00 C ATOM 506 C LEU A 37 6.186 -2.150 0.040 1.00 0.00 C ATOM 507 O LEU A 37 6.213 -1.948 -1.174 1.00 0.00 O ATOM 508 CB LEU A 37 5.431 -0.066 1.200 1.00 0.00 C ATOM 509 CG LEU A 37 4.030 -0.674 1.269 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.719 -1.137 2.684 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.989 0.328 0.794 1.00 0.00 C ATOM 0 H LEU A 37 7.757 -0.068 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 37 6.804 -1.521 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.603 0.504 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.458 0.642 0.372 1.00 0.00 H new ATOM 0 HG LEU A 37 3.998 -1.541 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.718 -1.567 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.446 -1.889 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.769 -0.287 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.998 -0.123 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.021 1.214 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.201 0.611 -0.237 1.00 0.00 H new ATOM 523 N THR A 38 5.813 -3.310 0.572 1.00 0.00 N ATOM 524 CA THR A 38 5.407 -4.437 -0.259 1.00 0.00 C ATOM 525 C THR A 38 3.970 -4.848 0.036 1.00 0.00 C ATOM 526 O THR A 38 3.612 -5.113 1.185 1.00 0.00 O ATOM 527 CB THR A 38 6.331 -5.651 -0.049 1.00 0.00 C ATOM 528 OG1 THR A 38 7.680 -5.304 -0.378 1.00 0.00 O ATOM 529 CG2 THR A 38 5.882 -6.827 -0.904 1.00 0.00 C ATOM 0 H THR A 38 5.784 -3.494 1.575 1.00 0.00 H new ATOM 0 HA THR A 38 5.482 -4.109 -1.296 1.00 0.00 H new ATOM 0 HB THR A 38 6.277 -5.943 1.000 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.261 -6.081 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.550 -7.673 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.865 -7.109 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.909 -6.543 -1.956 1.00 0.00 H new ATOM 537 N LEU A 39 3.149 -4.901 -1.007 1.00 0.00 N ATOM 538 CA LEU A 39 1.748 -5.282 -0.859 1.00 0.00 C ATOM 539 C LEU A 39 1.380 -6.394 -1.836 1.00 0.00 C ATOM 540 O LEU A 39 1.793 -6.378 -2.996 1.00 0.00 O ATOM 541 CB LEU A 39 0.843 -4.070 -1.084 1.00 0.00 C ATOM 542 CG LEU A 39 0.412 -3.311 0.172 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.595 -2.578 0.784 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.711 -2.338 -0.152 1.00 0.00 C ATOM 0 H LEU A 39 3.429 -4.685 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 39 1.603 -5.652 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.359 -3.374 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.053 -4.403 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 39 0.041 -4.032 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.270 -2.044 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.369 -3.297 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.996 -1.867 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.005 -1.807 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.367 -1.621 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.567 -2.888 -0.544 1.00 0.00 H new ATOM 556 N LYS A 40 0.599 -7.358 -1.361 1.00 0.00 N ATOM 557 CA LYS A 40 0.172 -8.477 -2.192 1.00 0.00 C ATOM 558 C LYS A 40 -1.133 -8.153 -2.912 1.00 0.00 C ATOM 559 O LYS A 40 -2.209 -8.182 -2.313 1.00 0.00 O ATOM 560 CB LYS A 40 -0.003 -9.736 -1.339 1.00 0.00 C ATOM 561 CG LYS A 40 -0.264 -10.991 -2.153 1.00 0.00 C ATOM 562 CD LYS A 40 -0.357 -12.221 -1.267 1.00 0.00 C ATOM 563 CE LYS A 40 -1.640 -12.225 -0.450 1.00 0.00 C ATOM 564 NZ LYS A 40 -2.064 -13.606 -0.089 1.00 0.00 N ATOM 0 H LYS A 40 0.249 -7.387 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 40 0.945 -8.657 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.893 -9.884 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.831 -9.583 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.191 -10.875 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.535 -11.126 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.315 -13.119 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.502 -12.254 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.494 -11.641 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.433 -11.738 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.942 -13.565 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.228 -14.156 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.318 -14.062 0.474 1.00 0.00 H new ATOM 621 N MET A 44 -0.011 -10.986 -6.843 1.00 0.00 N ATOM 622 CA MET A 44 1.338 -10.515 -7.137 1.00 0.00 C ATOM 623 C MET A 44 1.731 -9.374 -6.203 1.00 0.00 C ATOM 624 O MET A 44 0.957 -8.442 -5.990 1.00 0.00 O ATOM 625 CB MET A 44 1.435 -10.055 -8.592 1.00 0.00 C ATOM 626 CG MET A 44 1.134 -8.577 -8.784 1.00 0.00 C ATOM 627 SD MET A 44 1.487 -8.008 -10.458 1.00 0.00 S ATOM 628 CE MET A 44 1.067 -6.272 -10.321 1.00 0.00 C ATOM 0 HA MET A 44 2.028 -11.344 -6.979 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.438 -10.264 -8.965 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.742 -10.640 -9.196 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.085 -8.391 -8.555 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.723 -7.995 -8.075 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.633 -5.928 -11.260 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.346 -6.135 -9.516 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.967 -5.696 -10.104 1.00 0.00 H new ATOM 638 N GLU A 45 2.937 -9.456 -5.650 1.00 0.00 N ATOM 639 CA GLU A 45 3.430 -8.430 -4.739 1.00 0.00 C ATOM 640 C GLU A 45 4.226 -7.370 -5.494 1.00 0.00 C ATOM 641 O GLU A 45 5.139 -7.687 -6.257 1.00 0.00 O ATOM 642 CB GLU A 45 4.302 -9.060 -3.651 1.00 0.00 C ATOM 643 CG GLU A 45 3.530 -9.446 -2.400 1.00 0.00 C ATOM 644 CD GLU A 45 2.843 -10.791 -2.530 1.00 0.00 C ATOM 645 OE1 GLU A 45 2.619 -11.235 -3.676 1.00 0.00 O ATOM 646 OE2 GLU A 45 2.529 -11.400 -1.486 1.00 0.00 O ATOM 0 H GLU A 45 3.590 -10.222 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 45 2.570 -7.950 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.789 -9.947 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.092 -8.359 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.212 -9.471 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.784 -8.680 -2.187 1.00 0.00 H new ATOM 653 N THR A 46 3.873 -6.106 -5.276 1.00 0.00 N ATOM 654 CA THR A 46 4.552 -4.998 -5.935 1.00 0.00 C ATOM 655 C THR A 46 5.139 -4.028 -4.916 1.00 0.00 C ATOM 656 O THR A 46 4.477 -3.655 -3.948 1.00 0.00 O ATOM 657 CB THR A 46 3.597 -4.229 -6.868 1.00 0.00 C ATOM 658 OG1 THR A 46 3.043 -5.119 -7.844 1.00 0.00 O ATOM 659 CG2 THR A 46 4.323 -3.090 -7.567 1.00 0.00 C ATOM 0 H THR A 46 3.120 -5.825 -4.648 1.00 0.00 H new ATOM 0 HA THR A 46 5.358 -5.430 -6.528 1.00 0.00 H new ATOM 0 HB THR A 46 2.794 -3.809 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.140 -5.384 -7.570 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.628 -2.562 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.718 -2.399 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.144 -3.492 -8.160 1.00 0.00 H new ATOM 667 N ILE A 47 6.385 -3.624 -5.141 1.00 0.00 N ATOM 668 CA ILE A 47 7.060 -2.696 -4.243 1.00 0.00 C ATOM 669 C ILE A 47 6.684 -1.252 -4.560 1.00 0.00 C ATOM 670 O ILE A 47 6.517 -0.885 -5.723 1.00 0.00 O ATOM 671 CB ILE A 47 8.590 -2.846 -4.324 1.00 0.00 C ATOM 672 CG1 ILE A 47 9.000 -4.290 -4.026 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.269 -1.887 -3.358 1.00 0.00 C ATOM 674 CD1 ILE A 47 10.377 -4.646 -4.541 1.00 0.00 C ATOM 0 H ILE A 47 6.947 -3.925 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 47 6.733 -2.941 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 47 8.911 -2.599 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.971 -4.452 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.269 -4.966 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.350 -2.006 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.999 -0.862 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.945 -2.105 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.601 -5.684 -4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.406 -4.516 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.118 -3.995 -4.078 1.00 0.00 H new ATOM 686 N TYR A 48 6.555 -0.438 -3.519 1.00 0.00 N ATOM 687 CA TYR A 48 6.199 0.966 -3.686 1.00 0.00 C ATOM 688 C TYR A 48 7.231 1.873 -3.022 1.00 0.00 C ATOM 689 O TYR A 48 7.834 1.510 -2.013 1.00 0.00 O ATOM 690 CB TYR A 48 4.813 1.235 -3.097 1.00 0.00 C ATOM 691 CG TYR A 48 3.716 0.407 -3.727 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.526 0.402 -5.104 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.869 -0.369 -2.946 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.524 -0.352 -5.684 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.866 -1.128 -3.518 1.00 0.00 C ATOM 696 CZ TYR A 48 1.698 -1.116 -4.887 1.00 0.00 C ATOM 697 OH TYR A 48 0.699 -1.870 -5.460 1.00 0.00 O ATOM 0 H TYR A 48 6.692 -0.726 -2.550 1.00 0.00 H new ATOM 0 HA TYR A 48 6.182 1.186 -4.753 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.838 1.035 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.575 2.292 -3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.173 0.998 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.997 -0.379 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.389 -0.343 -6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.217 -1.727 -2.897 1.00 0.00 H new ATOM 0 HH TYR A 48 0.209 -2.350 -4.760 1.00 0.00 H new ATOM 707 N ASP A 49 7.427 3.054 -3.597 1.00 0.00 N ATOM 708 CA ASP A 49 8.384 4.015 -3.061 1.00 0.00 C ATOM 709 C ASP A 49 7.729 4.906 -2.010 1.00 0.00 C ATOM 710 O ASP A 49 6.913 5.771 -2.334 1.00 0.00 O ATOM 711 CB ASP A 49 8.961 4.874 -4.188 1.00 0.00 C ATOM 712 CG ASP A 49 7.882 5.498 -5.051 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.155 4.743 -5.731 1.00 0.00 O ATOM 714 OD2 ASP A 49 7.763 6.741 -5.046 1.00 0.00 O ATOM 0 H ASP A 49 6.936 3.369 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 49 9.193 3.459 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.580 5.662 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.612 4.261 -4.812 1.00 0.00 H new ATOM 719 N LEU A 50 8.090 4.689 -0.750 1.00 0.00 N ATOM 720 CA LEU A 50 7.537 5.472 0.350 1.00 0.00 C ATOM 721 C LEU A 50 8.363 6.731 0.591 1.00 0.00 C ATOM 722 O LEU A 50 9.558 6.657 0.877 1.00 0.00 O ATOM 723 CB LEU A 50 7.486 4.629 1.626 1.00 0.00 C ATOM 724 CG LEU A 50 6.822 3.258 1.498 1.00 0.00 C ATOM 725 CD1 LEU A 50 7.002 2.457 2.778 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.345 3.410 1.166 1.00 0.00 C ATOM 0 H LEU A 50 8.763 3.978 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 50 6.525 5.771 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.506 4.485 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.957 5.197 2.392 1.00 0.00 H new ATOM 0 HG LEU A 50 7.303 2.717 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.523 1.484 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.065 2.318 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.547 2.994 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.888 2.424 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.850 3.970 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.237 3.945 0.222 1.00 0.00 H new ATOM 738 N GLY A 51 7.717 7.888 0.476 1.00 0.00 N ATOM 739 CA GLY A 51 8.407 9.147 0.687 1.00 0.00 C ATOM 740 C GLY A 51 8.217 9.684 2.092 1.00 0.00 C ATOM 741 O GLY A 51 7.529 9.074 2.911 1.00 0.00 O ATOM 0 H GLY A 51 6.728 7.975 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.471 9.011 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.044 9.882 -0.032 1.00 0.00 H new ATOM 745 N THR A 52 8.828 10.831 2.374 1.00 0.00 N ATOM 746 CA THR A 52 8.725 11.449 3.689 1.00 0.00 C ATOM 747 C THR A 52 7.268 11.611 4.108 1.00 0.00 C ATOM 748 O THR A 52 6.882 11.228 5.212 1.00 0.00 O ATOM 749 CB THR A 52 9.412 12.827 3.718 1.00 0.00 C ATOM 750 OG1 THR A 52 10.760 12.712 3.249 1.00 0.00 O ATOM 751 CG2 THR A 52 9.407 13.405 5.125 1.00 0.00 C ATOM 0 H THR A 52 9.400 11.350 1.708 1.00 0.00 H new ATOM 0 HA THR A 52 9.230 10.785 4.390 1.00 0.00 H new ATOM 0 HB THR A 52 8.856 13.499 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.001 11.765 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.898 14.378 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.379 13.519 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.941 12.733 5.796 1.00 0.00 H new ATOM 759 N LYS A 53 6.462 12.181 3.219 1.00 0.00 N ATOM 760 CA LYS A 53 5.046 12.392 3.494 1.00 0.00 C ATOM 761 C LYS A 53 4.329 11.063 3.708 1.00 0.00 C ATOM 762 O LYS A 53 3.526 10.922 4.630 1.00 0.00 O ATOM 763 CB LYS A 53 4.390 13.158 2.343 1.00 0.00 C ATOM 764 CG LYS A 53 4.940 14.561 2.154 1.00 0.00 C ATOM 765 CD LYS A 53 4.224 15.565 3.041 1.00 0.00 C ATOM 766 CE LYS A 53 4.653 16.991 2.728 1.00 0.00 C ATOM 767 NZ LYS A 53 3.623 17.983 3.141 1.00 0.00 N ATOM 0 H LYS A 53 6.766 12.505 2.301 1.00 0.00 H new ATOM 0 HA LYS A 53 4.963 12.981 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.527 12.596 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.317 13.219 2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.006 14.569 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.835 14.856 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.147 15.470 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.433 15.342 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.591 17.208 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.842 17.087 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.953 18.942 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.734 17.792 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.461 17.909 4.166 1.00 0.00 H new ATOM 781 N MET A 54 4.626 10.091 2.852 1.00 0.00 N ATOM 782 CA MET A 54 4.011 8.772 2.951 1.00 0.00 C ATOM 783 C MET A 54 4.217 8.179 4.341 1.00 0.00 C ATOM 784 O MET A 54 3.270 7.706 4.970 1.00 0.00 O ATOM 785 CB MET A 54 4.593 7.834 1.891 1.00 0.00 C ATOM 786 CG MET A 54 3.916 7.955 0.535 1.00 0.00 C ATOM 787 SD MET A 54 4.084 6.460 -0.459 1.00 0.00 S ATOM 788 CE MET A 54 2.861 6.763 -1.733 1.00 0.00 C ATOM 0 H MET A 54 5.288 10.191 2.083 1.00 0.00 H new ATOM 0 HA MET A 54 2.940 8.883 2.779 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.657 8.043 1.777 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.506 6.805 2.241 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.858 8.174 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.345 8.798 -0.007 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.756 5.874 -2.355 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.903 6.997 -1.269 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.180 7.602 -2.351 1.00 0.00 H new ATOM 798 N ILE A 55 5.458 8.206 4.813 1.00 0.00 N ATOM 799 CA ILE A 55 5.787 7.672 6.128 1.00 0.00 C ATOM 800 C ILE A 55 4.976 8.361 7.220 1.00 0.00 C ATOM 801 O ILE A 55 4.337 7.703 8.041 1.00 0.00 O ATOM 802 CB ILE A 55 7.287 7.830 6.442 1.00 0.00 C ATOM 803 CG1 ILE A 55 8.125 7.016 5.454 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.577 7.398 7.872 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.586 7.407 5.436 1.00 0.00 C ATOM 0 H ILE A 55 6.253 8.592 4.304 1.00 0.00 H new ATOM 0 HA ILE A 55 5.538 6.611 6.108 1.00 0.00 H new ATOM 0 HB ILE A 55 7.556 8.881 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.043 5.959 5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.712 7.138 4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.641 7.515 8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.003 8.016 8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.296 6.353 8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.119 6.789 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.678 8.456 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.015 7.258 6.427 1.00 0.00 H new ATOM 817 N GLU A 56 5.004 9.690 7.222 1.00 0.00 N ATOM 818 CA GLU A 56 4.270 10.468 8.213 1.00 0.00 C ATOM 819 C GLU A 56 2.882 9.879 8.447 1.00 0.00 C ATOM 820 O GLU A 56 2.292 10.056 9.513 1.00 0.00 O ATOM 821 CB GLU A 56 4.149 11.925 7.762 1.00 0.00 C ATOM 822 CG GLU A 56 5.432 12.722 7.929 1.00 0.00 C ATOM 823 CD GLU A 56 5.196 14.220 7.898 1.00 0.00 C ATOM 824 OE1 GLU A 56 4.961 14.761 6.797 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.247 14.851 8.974 1.00 0.00 O ATOM 0 H GLU A 56 5.527 10.250 6.549 1.00 0.00 H new ATOM 0 HA GLU A 56 4.824 10.431 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.850 11.949 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.354 12.408 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.903 12.452 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.129 12.451 7.136 1.00 0.00 H new ATOM 832 N SER A 57 2.365 9.180 7.442 1.00 0.00 N ATOM 833 CA SER A 57 1.044 8.568 7.535 1.00 0.00 C ATOM 834 C SER A 57 1.128 7.190 8.183 1.00 0.00 C ATOM 835 O SER A 57 0.274 6.816 8.988 1.00 0.00 O ATOM 836 CB SER A 57 0.413 8.454 6.146 1.00 0.00 C ATOM 837 OG SER A 57 -0.037 9.716 5.685 1.00 0.00 O ATOM 0 H SER A 57 2.841 9.023 6.553 1.00 0.00 H new ATOM 0 HA SER A 57 0.418 9.206 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.141 8.046 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.424 7.756 6.179 1.00 0.00 H new ATOM 0 HG SER A 57 -0.435 9.616 4.795 1.00 0.00 H new ATOM 843 N LEU A 58 2.163 6.438 7.826 1.00 0.00 N ATOM 844 CA LEU A 58 2.361 5.099 8.372 1.00 0.00 C ATOM 845 C LEU A 58 2.544 5.150 9.885 1.00 0.00 C ATOM 846 O LEU A 58 2.517 4.120 10.560 1.00 0.00 O ATOM 847 CB LEU A 58 3.576 4.436 7.721 1.00 0.00 C ATOM 848 CG LEU A 58 3.607 4.444 6.193 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.556 3.376 5.672 1.00 0.00 C ATOM 850 CD2 LEU A 58 2.208 4.238 5.630 1.00 0.00 C ATOM 0 H LEU A 58 2.878 6.732 7.161 1.00 0.00 H new ATOM 0 HA LEU A 58 1.472 4.508 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.475 4.934 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.625 3.401 8.060 1.00 0.00 H new ATOM 0 HG LEU A 58 3.971 5.417 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.565 3.397 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.561 3.569 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.223 2.396 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.249 4.247 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.816 3.280 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.555 5.040 5.975 1.00 0.00 H new ATOM 862 N THR A 59 2.730 6.356 10.414 1.00 0.00 N ATOM 863 CA THR A 59 2.917 6.541 11.847 1.00 0.00 C ATOM 864 C THR A 59 1.582 6.754 12.553 1.00 0.00 C ATOM 865 O THR A 59 1.257 6.055 13.513 1.00 0.00 O ATOM 866 CB THR A 59 3.837 7.740 12.143 1.00 0.00 C ATOM 867 OG1 THR A 59 3.218 8.954 11.704 1.00 0.00 O ATOM 868 CG2 THR A 59 5.183 7.573 11.453 1.00 0.00 C ATOM 0 H THR A 59 2.755 7.219 9.871 1.00 0.00 H new ATOM 0 HA THR A 59 3.384 5.631 12.225 1.00 0.00 H new ATOM 0 HB THR A 59 4.001 7.786 13.220 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.930 8.856 10.772 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.816 8.432 11.677 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.665 6.664 11.812 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.033 7.503 10.376 1.00 0.00 H new ATOM 876 N LYS A 60 0.811 7.722 12.070 1.00 0.00 N ATOM 877 CA LYS A 60 -0.491 8.026 12.653 1.00 0.00 C ATOM 878 C LYS A 60 -1.307 6.754 12.855 1.00 0.00 C ATOM 879 O LYS A 60 -1.890 6.541 13.918 1.00 0.00 O ATOM 880 CB LYS A 60 -1.259 9.000 11.756 1.00 0.00 C ATOM 881 CG LYS A 60 -0.593 10.359 11.624 1.00 0.00 C ATOM 882 CD LYS A 60 -1.392 11.286 10.723 1.00 0.00 C ATOM 883 CE LYS A 60 -0.981 11.138 9.266 1.00 0.00 C ATOM 884 NZ LYS A 60 -1.287 12.363 8.476 1.00 0.00 N ATOM 0 H LYS A 60 1.065 8.310 11.276 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.326 8.489 13.626 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.367 8.560 10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.264 9.134 12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.487 10.811 12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.412 10.235 11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.455 11.068 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.246 12.319 11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.087 10.927 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.498 10.285 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.992 12.222 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.309 12.551 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.773 13.173 8.878 1.00 0.00 H new ATOM 898 N ASP A 61 -1.343 5.910 11.829 1.00 0.00 N ATOM 899 CA ASP A 61 -2.085 4.657 11.896 1.00 0.00 C ATOM 900 C ASP A 61 -1.144 3.479 12.127 1.00 0.00 C ATOM 901 O ASP A 61 -1.531 2.320 11.972 1.00 0.00 O ATOM 902 CB ASP A 61 -2.883 4.443 10.609 1.00 0.00 C ATOM 903 CG ASP A 61 -4.276 5.037 10.685 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.492 5.937 11.525 1.00 0.00 O ATOM 905 OD2 ASP A 61 -5.149 4.604 9.906 1.00 0.00 O ATOM 0 H ASP A 61 -0.867 6.071 10.941 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.775 4.717 12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.345 4.891 9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.957 3.375 10.405 1.00 0.00 H new ATOM 910 N LYS A 62 0.095 3.782 12.498 1.00 0.00 N ATOM 911 CA LYS A 62 1.093 2.750 12.751 1.00 0.00 C ATOM 912 C LYS A 62 0.867 1.542 11.848 1.00 0.00 C ATOM 913 O LYS A 62 0.801 0.406 12.318 1.00 0.00 O ATOM 914 CB LYS A 62 1.050 2.318 14.218 1.00 0.00 C ATOM 915 CG LYS A 62 1.538 3.386 15.181 1.00 0.00 C ATOM 916 CD LYS A 62 1.478 2.908 16.622 1.00 0.00 C ATOM 917 CE LYS A 62 2.529 1.845 16.901 1.00 0.00 C ATOM 918 NZ LYS A 62 2.010 0.472 16.652 1.00 0.00 N ATOM 0 H LYS A 62 0.432 4.735 12.630 1.00 0.00 H new ATOM 0 HA LYS A 62 2.075 3.168 12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.027 2.046 14.478 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.659 1.423 14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.562 3.662 14.931 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.930 4.283 15.069 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.627 3.754 17.293 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.487 2.505 16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.401 2.023 16.272 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.861 1.925 17.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.061 -0.083 17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.021 0.527 16.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.585 0.011 15.918 1.00 0.00 H new ATOM 932 N VAL A 63 0.751 1.794 10.548 1.00 0.00 N ATOM 933 CA VAL A 63 0.536 0.726 9.578 1.00 0.00 C ATOM 934 C VAL A 63 1.575 -0.378 9.736 1.00 0.00 C ATOM 935 O VAL A 63 2.777 -0.125 9.677 1.00 0.00 O ATOM 936 CB VAL A 63 0.586 1.261 8.134 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.376 0.130 7.139 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.449 2.357 7.936 1.00 0.00 C ATOM 0 H VAL A 63 0.802 2.728 10.142 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.456 0.317 9.772 1.00 0.00 H new ATOM 0 HB VAL A 63 1.572 1.690 7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.414 0.526 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.159 -0.617 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.597 -0.331 7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.400 2.723 6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.444 1.957 8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.246 3.177 8.624 1.00 0.00 H new ATOM 948 N GLN A 64 1.101 -1.604 9.937 1.00 0.00 N ATOM 949 CA GLN A 64 1.990 -2.748 10.104 1.00 0.00 C ATOM 950 C GLN A 64 1.550 -3.912 9.224 1.00 0.00 C ATOM 951 O GLN A 64 0.488 -3.867 8.603 1.00 0.00 O ATOM 952 CB GLN A 64 2.024 -3.184 11.570 1.00 0.00 C ATOM 953 CG GLN A 64 2.930 -2.328 12.439 1.00 0.00 C ATOM 954 CD GLN A 64 3.170 -2.935 13.808 1.00 0.00 C ATOM 955 OE1 GLN A 64 2.920 -2.156 14.854 1.00 0.00 O flip ATOM 956 NE2 GLN A 64 3.576 -4.092 13.924 1.00 0.00 N flip ATOM 0 H GLN A 64 0.108 -1.830 9.988 1.00 0.00 H new ATOM 0 HA GLN A 64 2.992 -2.446 9.799 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.012 -3.152 11.973 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.356 -4.221 11.624 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.886 -2.190 11.934 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.486 -1.340 12.557 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.755 -4.655 13.093 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.733 -4.487 14.851 1.00 0.00 H new ATOM 965 N ALA A 65 2.373 -4.955 9.175 1.00 0.00 N ATOM 966 CA ALA A 65 2.067 -6.133 8.372 1.00 0.00 C ATOM 967 C ALA A 65 0.803 -6.824 8.872 1.00 0.00 C ATOM 968 O ALA A 65 0.552 -6.888 10.075 1.00 0.00 O ATOM 969 CB ALA A 65 3.241 -7.100 8.386 1.00 0.00 C ATOM 0 H ALA A 65 3.257 -5.008 9.682 1.00 0.00 H new ATOM 0 HA ALA A 65 1.891 -5.808 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.999 -7.975 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.122 -6.608 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.444 -7.411 9.411 1.00 0.00 H new ATOM 975 N GLY A 66 0.009 -7.342 7.939 1.00 0.00 N ATOM 976 CA GLY A 66 -1.220 -8.022 8.305 1.00 0.00 C ATOM 977 C GLY A 66 -2.455 -7.221 7.944 1.00 0.00 C ATOM 978 O GLY A 66 -3.504 -7.788 7.640 1.00 0.00 O ATOM 0 H GLY A 66 0.195 -7.303 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.259 -8.990 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.218 -8.217 9.377 1.00 0.00 H new ATOM 982 N ASP A 67 -2.331 -5.898 7.979 1.00 0.00 N ATOM 983 CA ASP A 67 -3.447 -5.017 7.654 1.00 0.00 C ATOM 984 C ASP A 67 -3.410 -4.614 6.184 1.00 0.00 C ATOM 985 O ASP A 67 -2.370 -4.701 5.531 1.00 0.00 O ATOM 986 CB ASP A 67 -3.415 -3.770 8.539 1.00 0.00 C ATOM 987 CG ASP A 67 -4.069 -4.000 9.887 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.314 -4.081 9.937 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.336 -4.100 10.893 1.00 0.00 O ATOM 0 H ASP A 67 -1.469 -5.413 8.229 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.373 -5.561 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.381 -3.460 8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.922 -2.952 8.027 1.00 0.00 H new ATOM 994 N VAL A 68 -4.552 -4.172 5.667 1.00 0.00 N ATOM 995 CA VAL A 68 -4.651 -3.755 4.274 1.00 0.00 C ATOM 996 C VAL A 68 -4.718 -2.236 4.158 1.00 0.00 C ATOM 997 O VAL A 68 -5.695 -1.615 4.578 1.00 0.00 O ATOM 998 CB VAL A 68 -5.889 -4.366 3.591 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.054 -3.809 2.185 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.786 -5.884 3.562 1.00 0.00 C ATOM 0 H VAL A 68 -5.422 -4.094 6.193 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.753 -4.116 3.772 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.772 -4.094 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.934 -4.253 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.176 -2.727 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.170 -4.048 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.669 -6.299 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.895 -6.178 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.721 -6.264 4.582 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.675 -1.645 3.585 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.617 -0.199 3.413 1.00 0.00 C ATOM 1012 C ILE A 69 -3.622 0.179 1.936 1.00 0.00 C ATOM 1013 O ILE A 69 -3.049 -0.522 1.101 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.364 0.398 4.080 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.098 -0.198 3.461 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.393 0.149 5.581 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.577 0.587 2.277 1.00 0.00 C ATOM 0 H ILE A 69 -2.859 -2.145 3.232 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.505 0.212 3.894 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.358 1.475 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.320 -0.250 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.304 -1.221 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.501 0.577 6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.280 0.615 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.419 -0.924 5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.321 0.107 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.338 0.617 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.339 1.603 2.591 1.00 0.00 H new ATOM 1029 N THR A 70 -4.272 1.295 1.618 1.00 0.00 N ATOM 1030 CA THR A 70 -4.351 1.768 0.242 1.00 0.00 C ATOM 1031 C THR A 70 -3.334 2.873 -0.019 1.00 0.00 C ATOM 1032 O THR A 70 -2.783 3.456 0.915 1.00 0.00 O ATOM 1033 CB THR A 70 -5.760 2.294 -0.091 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.079 3.407 0.752 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.802 1.200 0.088 1.00 0.00 C ATOM 0 H THR A 70 -4.751 1.888 2.296 1.00 0.00 H new ATOM 0 HA THR A 70 -4.129 0.915 -0.399 1.00 0.00 H new ATOM 0 HB THR A 70 -5.768 2.614 -1.133 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.975 3.737 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.789 1.595 -0.153 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.572 0.367 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.792 0.854 1.121 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.089 3.156 -1.294 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.139 4.192 -1.677 1.00 0.00 C ATOM 1045 C ILE A 71 -2.718 5.096 -2.760 1.00 0.00 C ATOM 1046 O ILE A 71 -2.838 4.696 -3.918 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.817 3.585 -2.184 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.153 2.762 -1.079 1.00 0.00 C ATOM 1049 CG2 ILE A 71 0.118 4.683 -2.669 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.708 1.633 -1.601 1.00 0.00 C ATOM 0 H ILE A 71 -3.536 2.682 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.939 4.782 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.035 2.924 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.460 3.421 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.926 2.349 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.048 4.239 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.356 5.231 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.333 5.367 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.147 1.092 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.096 0.951 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.503 2.040 -2.226 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.074 6.317 -2.376 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.638 7.280 -3.315 1.00 0.00 C ATOM 1064 C ASP A 72 -2.536 8.085 -3.996 1.00 0.00 C ATOM 1065 O ASP A 72 -1.903 8.940 -3.375 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.604 8.222 -2.594 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.703 8.733 -3.505 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.420 9.625 -4.333 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.845 8.241 -3.391 1.00 0.00 O ATOM 0 H ASP A 72 -2.982 6.663 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.184 6.727 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.051 7.701 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.048 9.068 -2.190 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.311 7.807 -5.275 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.285 8.504 -6.042 1.00 0.00 C ATOM 1076 C LYS A 73 -1.714 9.936 -6.346 1.00 0.00 C ATOM 1077 O LYS A 73 -0.881 10.839 -6.428 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.998 7.758 -7.346 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.085 6.556 -7.172 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.154 5.625 -8.370 1.00 0.00 C ATOM 1081 CE LYS A 73 1.134 4.833 -8.536 1.00 0.00 C ATOM 1082 NZ LYS A 73 2.159 5.595 -9.303 1.00 0.00 N ATOM 0 H LYS A 73 -2.826 7.103 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.376 8.535 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.941 7.427 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.544 8.448 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.941 6.895 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.366 6.012 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.992 4.938 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.344 6.206 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.532 4.576 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.920 3.895 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.022 5.021 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.790 5.818 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.382 6.478 -8.801 1.00 0.00 H new ATOM 1096 N ALA A 74 -3.017 10.137 -6.512 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.555 11.459 -6.804 1.00 0.00 C ATOM 1098 C ALA A 74 -3.046 12.492 -5.804 1.00 0.00 C ATOM 1099 O ALA A 74 -2.584 13.568 -6.188 1.00 0.00 O ATOM 1100 CB ALA A 74 -5.076 11.423 -6.798 1.00 0.00 C ATOM 0 H ALA A 74 -3.720 9.400 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.213 11.752 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.464 12.418 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.426 10.721 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.429 11.104 -5.817 1.00 0.00 H new ATOM 1106 N THR A 75 -3.133 12.160 -4.520 1.00 0.00 N ATOM 1107 CA THR A 75 -2.682 13.059 -3.466 1.00 0.00 C ATOM 1108 C THR A 75 -1.321 12.635 -2.925 1.00 0.00 C ATOM 1109 O THR A 75 -0.517 13.471 -2.514 1.00 0.00 O ATOM 1110 CB THR A 75 -3.690 13.111 -2.302 1.00 0.00 C ATOM 1111 OG1 THR A 75 -3.354 12.126 -1.319 1.00 0.00 O ATOM 1112 CG2 THR A 75 -5.107 12.872 -2.803 1.00 0.00 C ATOM 0 H THR A 75 -3.512 11.274 -4.185 1.00 0.00 H new ATOM 0 HA THR A 75 -2.600 14.051 -3.911 1.00 0.00 H new ATOM 0 HB THR A 75 -3.642 14.103 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.080 12.056 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.801 12.913 -1.964 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.370 13.640 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.166 11.891 -3.275 1.00 0.00 H new ATOM 1120 N GLY A 76 -1.069 11.329 -2.929 1.00 0.00 N ATOM 1121 CA GLY A 76 0.197 10.817 -2.437 1.00 0.00 C ATOM 1122 C GLY A 76 0.139 10.440 -0.970 1.00 0.00 C ATOM 1123 O GLY A 76 1.145 10.508 -0.264 1.00 0.00 O ATOM 0 H GLY A 76 -1.718 10.617 -3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.484 9.944 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.972 11.569 -2.585 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.042 10.043 -0.509 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.229 9.654 0.883 1.00 0.00 C ATOM 1129 C LYS A 77 -1.623 8.184 0.990 1.00 0.00 C ATOM 1130 O LYS A 77 -2.130 7.597 0.033 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.300 10.529 1.539 1.00 0.00 C ATOM 1132 CG LYS A 77 -1.789 11.890 1.979 1.00 0.00 C ATOM 1133 CD LYS A 77 -1.813 12.890 0.836 1.00 0.00 C ATOM 1134 CE LYS A 77 -0.880 14.062 1.102 1.00 0.00 C ATOM 1135 NZ LYS A 77 -1.251 15.260 0.298 1.00 0.00 N ATOM 0 H LYS A 77 -1.885 9.982 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.282 9.797 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.123 10.669 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.705 10.005 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.401 12.261 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.771 11.793 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.521 12.394 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.829 13.257 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.906 14.314 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.144 13.771 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.592 16.037 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.201 15.028 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.219 15.553 0.539 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.388 7.597 2.158 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.721 6.196 2.388 1.00 0.00 C ATOM 1151 C ILE A 78 -2.774 6.054 3.482 1.00 0.00 C ATOM 1152 O ILE A 78 -2.608 6.569 4.588 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.476 5.379 2.781 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.613 5.524 1.716 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -0.842 3.916 2.976 1.00 0.00 C ATOM 1156 CD1 ILE A 78 2.005 5.232 2.231 1.00 0.00 C ATOM 0 H ILE A 78 -0.969 8.069 2.959 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.119 5.808 1.450 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.089 5.765 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.392 4.850 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.587 6.538 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.049 3.352 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.587 3.830 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.250 3.516 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.725 5.354 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.246 5.922 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.048 4.208 2.603 1.00 0.00 H new ATOM 1168 N SER A 79 -3.856 5.351 3.166 1.00 0.00 N ATOM 1169 CA SER A 79 -4.938 5.143 4.121 1.00 0.00 C ATOM 1170 C SER A 79 -4.982 3.689 4.583 1.00 0.00 C ATOM 1171 O SER A 79 -4.609 2.778 3.844 1.00 0.00 O ATOM 1172 CB SER A 79 -6.280 5.532 3.498 1.00 0.00 C ATOM 1173 OG SER A 79 -7.188 5.988 4.485 1.00 0.00 O ATOM 0 H SER A 79 -4.007 4.916 2.256 1.00 0.00 H new ATOM 0 HA SER A 79 -4.751 5.777 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.126 6.313 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.705 4.674 2.977 1.00 0.00 H new ATOM 0 HG SER A 79 -8.037 6.232 4.061 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.441 3.480 5.813 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.536 2.138 6.376 1.00 0.00 C ATOM 1181 C LYS A 80 -6.989 1.678 6.443 1.00 0.00 C ATOM 1182 O LYS A 80 -7.883 2.458 6.773 1.00 0.00 O ATOM 1183 CB LYS A 80 -4.915 2.104 7.774 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.770 0.703 8.342 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.326 0.733 9.795 1.00 0.00 C ATOM 1186 CE LYS A 80 -4.503 -0.623 10.460 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.940 -0.993 10.592 1.00 0.00 N ATOM 0 H LYS A 80 -5.753 4.223 6.439 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.987 1.458 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.933 2.575 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.529 2.699 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.721 0.177 8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.045 0.143 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.280 1.033 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.902 1.483 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.984 -1.384 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.040 -0.607 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.165 -1.158 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.532 -0.220 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.127 -1.859 10.048 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.217 0.407 6.129 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.562 -0.158 6.155 1.00 0.00 C ATOM 1203 C LEU A 81 -8.636 -1.344 7.111 1.00 0.00 C ATOM 1204 O LEU A 81 -7.636 -1.731 7.714 1.00 0.00 O ATOM 1205 CB LEU A 81 -8.980 -0.594 4.749 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.483 0.282 3.599 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.982 -0.253 2.266 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.925 1.724 3.796 1.00 0.00 C ATOM 0 H LEU A 81 -6.488 -0.251 5.854 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.247 0.613 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.624 -1.611 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.069 -0.627 4.709 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.393 0.255 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.618 0.383 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.614 -1.269 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.072 -0.258 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.562 2.332 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.014 1.770 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.517 2.105 4.732 1.00 0.00 H new