USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 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 44 MET CE :methyl -140:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot 90:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= -0.0231 (180deg=-0.0329) 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 165:sc= -0.945 USER MOD Single : A 52 THR OG1 : rot -16:sc= 0.346 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -169:sc=-0.00558 (180deg=-0.223) USER MOD Single : A 57 SER OG : rot -147:sc= 1.33 USER MOD Single : A 59 THR OG1 : rot -38:sc= 0.274 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=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 -168:sc= -0.894 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+ 179:sc= 0.0115 (180deg=0.0115) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -5.858 5.941 -9.713 1.00 0.00 N ATOM 133 CA GLU A 12 -4.655 6.368 -9.009 1.00 0.00 C ATOM 134 C GLU A 12 -4.667 5.876 -7.564 1.00 0.00 C ATOM 135 O GLU A 12 -4.264 6.594 -6.649 1.00 0.00 O ATOM 136 CB GLU A 12 -4.533 7.893 -9.038 1.00 0.00 C ATOM 137 CG GLU A 12 -3.793 8.421 -10.256 1.00 0.00 C ATOM 138 CD GLU A 12 -4.659 8.445 -11.500 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.411 9.425 -11.681 1.00 0.00 O ATOM 140 OE2 GLU A 12 -4.583 7.483 -12.293 1.00 0.00 O ATOM 0 HA GLU A 12 -3.795 5.932 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.531 8.330 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.017 8.225 -8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.433 9.429 -10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.916 7.801 -10.441 1.00 0.00 H new ATOM 147 N ILE A 13 -5.133 4.647 -7.368 1.00 0.00 N ATOM 148 CA ILE A 13 -5.198 4.059 -6.036 1.00 0.00 C ATOM 149 C ILE A 13 -4.893 2.565 -6.080 1.00 0.00 C ATOM 150 O ILE A 13 -5.315 1.862 -6.998 1.00 0.00 O ATOM 151 CB ILE A 13 -6.581 4.271 -5.393 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.910 5.763 -5.319 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.623 3.644 -4.008 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.169 6.066 -4.537 1.00 0.00 C ATOM 0 H ILE A 13 -5.471 4.040 -8.114 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.445 4.564 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.333 3.783 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.072 6.289 -4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.018 6.154 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.607 3.802 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.428 2.574 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.864 4.105 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.340 7.142 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.018 5.568 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.058 5.706 -3.514 1.00 0.00 H new ATOM 166 N ILE A 14 -4.160 2.087 -5.080 1.00 0.00 N ATOM 167 CA ILE A 14 -3.802 0.676 -5.002 1.00 0.00 C ATOM 168 C ILE A 14 -3.946 0.150 -3.579 1.00 0.00 C ATOM 169 O ILE A 14 -3.301 0.645 -2.656 1.00 0.00 O ATOM 170 CB ILE A 14 -2.360 0.434 -5.484 1.00 0.00 C ATOM 171 CG1 ILE A 14 -1.973 1.466 -6.545 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.214 -0.978 -6.033 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.498 1.463 -6.882 1.00 0.00 C ATOM 0 H ILE A 14 -3.802 2.656 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.490 0.139 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.686 0.544 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.545 1.274 -7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.255 2.459 -6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.189 -1.133 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.452 -1.699 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.896 -1.114 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.297 2.219 -7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.081 1.685 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.214 0.482 -7.263 1.00 0.00 H new ATOM 185 N GLU A 15 -4.796 -0.859 -3.409 1.00 0.00 N ATOM 186 CA GLU A 15 -5.023 -1.453 -2.097 1.00 0.00 C ATOM 187 C GLU A 15 -4.509 -2.890 -2.054 1.00 0.00 C ATOM 188 O GLU A 15 -4.915 -3.729 -2.856 1.00 0.00 O ATOM 189 CB GLU A 15 -6.513 -1.422 -1.749 1.00 0.00 C ATOM 190 CG GLU A 15 -6.860 -2.198 -0.490 1.00 0.00 C ATOM 191 CD GLU A 15 -8.343 -2.495 -0.379 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.153 -1.583 -0.647 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.693 -3.640 -0.023 1.00 0.00 O ATOM 0 H GLU A 15 -5.338 -1.281 -4.163 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.473 -0.866 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.827 -0.386 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.081 -1.829 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.304 -3.135 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.541 -1.629 0.383 1.00 0.00 H new ATOM 200 N GLY A 16 -3.613 -3.164 -1.111 1.00 0.00 N ATOM 201 CA GLY A 16 -3.058 -4.498 -0.980 1.00 0.00 C ATOM 202 C GLY A 16 -2.788 -4.875 0.463 1.00 0.00 C ATOM 203 O GLY A 16 -2.791 -4.018 1.346 1.00 0.00 O ATOM 0 H GLY A 16 -3.262 -2.486 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.748 -5.220 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.130 -4.559 -1.548 1.00 0.00 H new ATOM 207 N GLU A 17 -2.556 -6.162 0.703 1.00 0.00 N ATOM 208 CA GLU A 17 -2.286 -6.650 2.050 1.00 0.00 C ATOM 209 C GLU A 17 -0.830 -6.405 2.436 1.00 0.00 C ATOM 210 O GLU A 17 0.079 -7.056 1.920 1.00 0.00 O ATOM 211 CB GLU A 17 -2.607 -8.143 2.150 1.00 0.00 C ATOM 212 CG GLU A 17 -2.411 -8.716 3.544 1.00 0.00 C ATOM 213 CD GLU A 17 -3.079 -10.066 3.718 1.00 0.00 C ATOM 214 OE1 GLU A 17 -4.152 -10.280 3.117 1.00 0.00 O ATOM 215 OE2 GLU A 17 -2.528 -10.909 4.457 1.00 0.00 O ATOM 0 H GLU A 17 -2.550 -6.884 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.925 -6.101 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.640 -8.305 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.975 -8.690 1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.344 -8.814 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.812 -8.019 4.279 1.00 0.00 H new ATOM 222 N VAL A 18 -0.615 -5.461 3.346 1.00 0.00 N ATOM 223 CA VAL A 18 0.729 -5.129 3.802 1.00 0.00 C ATOM 224 C VAL A 18 1.560 -6.388 4.026 1.00 0.00 C ATOM 225 O VAL A 18 1.345 -7.124 4.988 1.00 0.00 O ATOM 226 CB VAL A 18 0.694 -4.313 5.108 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.067 -3.734 5.414 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.350 -3.210 5.018 1.00 0.00 C ATOM 0 H VAL A 18 -1.356 -4.912 3.783 1.00 0.00 H new ATOM 0 HA VAL A 18 1.189 -4.527 3.018 1.00 0.00 H new ATOM 0 HB VAL A 18 0.417 -4.979 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.022 -3.161 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.788 -4.545 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.377 -3.081 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.362 -2.643 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.105 -2.544 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.332 -3.652 4.850 1.00 0.00 H new ATOM 238 N VAL A 19 2.511 -6.629 3.129 1.00 0.00 N ATOM 239 CA VAL A 19 3.376 -7.799 3.228 1.00 0.00 C ATOM 240 C VAL A 19 4.632 -7.486 4.035 1.00 0.00 C ATOM 241 O VAL A 19 5.022 -8.252 4.915 1.00 0.00 O ATOM 242 CB VAL A 19 3.788 -8.312 1.836 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.667 -9.547 1.960 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.558 -8.606 0.991 1.00 0.00 C ATOM 0 H VAL A 19 2.702 -6.030 2.326 1.00 0.00 H new ATOM 0 HA VAL A 19 2.804 -8.574 3.737 1.00 0.00 H new ATOM 0 HB VAL A 19 4.365 -7.533 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.948 -9.895 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.565 -9.299 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.118 -10.334 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.868 -8.968 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.952 -9.367 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.971 -7.695 0.873 1.00 0.00 H new ATOM 254 N GLU A 20 5.260 -6.356 3.728 1.00 0.00 N ATOM 255 CA GLU A 20 6.472 -5.942 4.425 1.00 0.00 C ATOM 256 C GLU A 20 6.621 -4.424 4.404 1.00 0.00 C ATOM 257 O GLU A 20 6.136 -3.755 3.491 1.00 0.00 O ATOM 258 CB GLU A 20 7.701 -6.595 3.788 1.00 0.00 C ATOM 259 CG GLU A 20 8.965 -6.451 4.618 1.00 0.00 C ATOM 260 CD GLU A 20 8.981 -7.372 5.822 1.00 0.00 C ATOM 261 OE1 GLU A 20 8.484 -6.959 6.891 1.00 0.00 O ATOM 262 OE2 GLU A 20 9.490 -8.506 5.696 1.00 0.00 O ATOM 0 H GLU A 20 4.950 -5.711 3.001 1.00 0.00 H new ATOM 0 HA GLU A 20 6.393 -6.267 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.499 -7.654 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.869 -6.153 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.832 -6.662 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.059 -5.418 4.954 1.00 0.00 H new ATOM 269 N ILE A 21 7.294 -3.887 5.416 1.00 0.00 N ATOM 270 CA ILE A 21 7.507 -2.449 5.514 1.00 0.00 C ATOM 271 C ILE A 21 8.910 -2.134 6.021 1.00 0.00 C ATOM 272 O ILE A 21 9.224 -2.364 7.189 1.00 0.00 O ATOM 273 CB ILE A 21 6.476 -1.789 6.449 1.00 0.00 C ATOM 274 CG1 ILE A 21 5.056 -2.046 5.940 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.742 -0.295 6.561 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.991 -1.853 6.996 1.00 0.00 C ATOM 0 H ILE A 21 7.701 -4.427 6.180 1.00 0.00 H new ATOM 0 HA ILE A 21 7.386 -2.044 4.509 1.00 0.00 H new ATOM 0 HB ILE A 21 6.572 -2.230 7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.852 -1.377 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.995 -3.064 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.005 0.157 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.742 -0.133 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.670 0.162 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.010 -2.052 6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.170 -2.540 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.024 -0.827 7.363 1.00 0.00 H new ATOM 288 N GLN A 22 9.749 -1.606 5.136 1.00 0.00 N ATOM 289 CA GLN A 22 11.119 -1.259 5.495 1.00 0.00 C ATOM 290 C GLN A 22 11.335 0.249 5.421 1.00 0.00 C ATOM 291 O GLN A 22 10.646 0.949 4.679 1.00 0.00 O ATOM 292 CB GLN A 22 12.107 -1.973 4.571 1.00 0.00 C ATOM 293 CG GLN A 22 13.551 -1.884 5.039 1.00 0.00 C ATOM 294 CD GLN A 22 14.493 -2.710 4.186 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.399 -3.938 4.147 1.00 0.00 O ATOM 296 NE2 GLN A 22 15.408 -2.040 3.495 1.00 0.00 N ATOM 0 H GLN A 22 9.504 -1.409 4.166 1.00 0.00 H new ATOM 0 HA GLN A 22 11.293 -1.583 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.824 -3.023 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.031 -1.545 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.871 -0.842 5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.615 -2.220 6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.450 -1.023 3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.069 -2.543 2.902 1.00 0.00 H new ATOM 305 N ILE A 23 12.295 0.742 6.196 1.00 0.00 N ATOM 306 CA ILE A 23 12.602 2.167 6.218 1.00 0.00 C ATOM 307 C ILE A 23 14.088 2.413 5.985 1.00 0.00 C ATOM 308 O ILE A 23 14.918 2.126 6.848 1.00 0.00 O ATOM 309 CB ILE A 23 12.190 2.811 7.555 1.00 0.00 C ATOM 310 CG1 ILE A 23 10.667 2.816 7.697 1.00 0.00 C ATOM 311 CG2 ILE A 23 12.741 4.226 7.654 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.964 3.639 6.639 1.00 0.00 C ATOM 0 H ILE A 23 12.873 0.176 6.817 1.00 0.00 H new ATOM 0 HA ILE A 23 12.030 2.625 5.412 1.00 0.00 H new ATOM 0 HB ILE A 23 12.610 2.220 8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.302 1.790 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.403 3.203 8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.441 4.668 8.604 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.829 4.198 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.348 4.828 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.887 3.597 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.300 4.674 6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.198 3.239 5.652 1.00 0.00 H new ATOM 437 N LYS A 33 13.567 11.105 4.515 1.00 0.00 N ATOM 438 CA LYS A 33 13.504 9.683 4.829 1.00 0.00 C ATOM 439 C LYS A 33 12.688 8.930 3.784 1.00 0.00 C ATOM 440 O LYS A 33 11.697 9.446 3.267 1.00 0.00 O ATOM 441 CB LYS A 33 12.895 9.472 6.217 1.00 0.00 C ATOM 442 CG LYS A 33 11.545 10.144 6.397 1.00 0.00 C ATOM 443 CD LYS A 33 11.092 10.108 7.847 1.00 0.00 C ATOM 444 CE LYS A 33 11.586 11.324 8.616 1.00 0.00 C ATOM 445 NZ LYS A 33 10.783 11.566 9.846 1.00 0.00 N ATOM 0 HA LYS A 33 14.521 9.290 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.786 8.403 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.585 9.854 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.605 11.179 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.804 9.647 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.004 10.068 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.463 9.200 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.632 11.182 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.540 12.203 7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.151 12.403 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.789 11.727 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.847 10.737 10.471 1.00 0.00 H new ATOM 459 N VAL A 34 13.108 7.707 3.479 1.00 0.00 N ATOM 460 CA VAL A 34 12.414 6.882 2.497 1.00 0.00 C ATOM 461 C VAL A 34 12.191 5.469 3.026 1.00 0.00 C ATOM 462 O VAL A 34 12.998 4.948 3.794 1.00 0.00 O ATOM 463 CB VAL A 34 13.198 6.805 1.174 1.00 0.00 C ATOM 464 CG1 VAL A 34 13.641 8.192 0.734 1.00 0.00 C ATOM 465 CG2 VAL A 34 14.393 5.875 1.316 1.00 0.00 C ATOM 0 H VAL A 34 13.926 7.265 3.898 1.00 0.00 H new ATOM 0 HA VAL A 34 11.449 7.354 2.312 1.00 0.00 H new ATOM 0 HB VAL A 34 12.540 6.399 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.193 8.117 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.765 8.825 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.282 8.629 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.935 5.833 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.054 6.249 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.047 4.876 1.581 1.00 0.00 H new ATOM 475 N GLY A 35 11.089 4.854 2.607 1.00 0.00 N ATOM 476 CA GLY A 35 10.779 3.506 3.048 1.00 0.00 C ATOM 477 C GLY A 35 10.261 2.633 1.923 1.00 0.00 C ATOM 478 O GLY A 35 9.649 3.126 0.975 1.00 0.00 O ATOM 0 H GLY A 35 10.406 5.265 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.674 3.052 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.034 3.549 3.843 1.00 0.00 H new ATOM 482 N LYS A 36 10.508 1.331 2.025 1.00 0.00 N ATOM 483 CA LYS A 36 10.063 0.386 1.008 1.00 0.00 C ATOM 484 C LYS A 36 8.867 -0.422 1.502 1.00 0.00 C ATOM 485 O LYS A 36 8.945 -1.105 2.524 1.00 0.00 O ATOM 486 CB LYS A 36 11.206 -0.558 0.625 1.00 0.00 C ATOM 487 CG LYS A 36 10.868 -1.484 -0.530 1.00 0.00 C ATOM 488 CD LYS A 36 11.618 -2.802 -0.426 1.00 0.00 C ATOM 489 CE LYS A 36 13.067 -2.654 -0.865 1.00 0.00 C ATOM 490 NZ LYS A 36 13.229 -2.876 -2.329 1.00 0.00 N ATOM 0 H LYS A 36 11.014 0.906 2.802 1.00 0.00 H new ATOM 0 HA LYS A 36 9.758 0.954 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.082 0.034 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.477 -1.158 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.795 -1.675 -0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.116 -0.997 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.583 -3.162 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.124 -3.553 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.424 -1.657 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.686 -3.366 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.225 -2.733 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.944 -3.847 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.632 -2.203 -2.850 1.00 0.00 H new ATOM 504 N LEU A 37 7.761 -0.340 0.770 1.00 0.00 N ATOM 505 CA LEU A 37 6.548 -1.065 1.133 1.00 0.00 C ATOM 506 C LEU A 37 6.222 -2.134 0.095 1.00 0.00 C ATOM 507 O LEU A 37 6.467 -1.953 -1.098 1.00 0.00 O ATOM 508 CB LEU A 37 5.373 -0.096 1.270 1.00 0.00 C ATOM 509 CG LEU A 37 3.982 -0.729 1.308 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.617 -1.131 2.729 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.944 0.229 0.740 1.00 0.00 C ATOM 0 H LEU A 37 7.679 0.221 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 37 6.720 -1.555 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.511 0.484 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.408 0.606 0.437 1.00 0.00 H new ATOM 0 HG LEU A 37 3.996 -1.627 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.624 -1.580 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.344 -1.853 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.621 -0.249 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.960 -0.238 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.932 1.145 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.196 0.467 -0.293 1.00 0.00 H new ATOM 523 N THR A 38 5.665 -3.250 0.557 1.00 0.00 N ATOM 524 CA THR A 38 5.303 -4.348 -0.331 1.00 0.00 C ATOM 525 C THR A 38 3.871 -4.807 -0.082 1.00 0.00 C ATOM 526 O THR A 38 3.515 -5.184 1.035 1.00 0.00 O ATOM 527 CB THR A 38 6.253 -5.547 -0.156 1.00 0.00 C ATOM 528 OG1 THR A 38 7.603 -5.145 -0.411 1.00 0.00 O ATOM 529 CG2 THR A 38 5.870 -6.682 -1.094 1.00 0.00 C ATOM 0 H THR A 38 5.455 -3.417 1.541 1.00 0.00 H new ATOM 0 HA THR A 38 5.388 -3.972 -1.351 1.00 0.00 H new ATOM 0 HB THR A 38 6.169 -5.902 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.200 -5.913 -0.296 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.555 -7.518 -0.952 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.852 -7.006 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.928 -6.336 -2.126 1.00 0.00 H new ATOM 537 N LEU A 39 3.054 -4.774 -1.128 1.00 0.00 N ATOM 538 CA LEU A 39 1.659 -5.189 -1.023 1.00 0.00 C ATOM 539 C LEU A 39 1.351 -6.316 -2.003 1.00 0.00 C ATOM 540 O LEU A 39 1.803 -6.299 -3.148 1.00 0.00 O ATOM 541 CB LEU A 39 0.732 -4.000 -1.287 1.00 0.00 C ATOM 542 CG LEU A 39 0.290 -3.207 -0.057 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.499 -2.704 0.716 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.606 -2.047 -0.464 1.00 0.00 C ATOM 0 H LEU A 39 3.333 -4.464 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 39 1.490 -5.557 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.235 -3.318 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.159 -4.366 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.281 -3.870 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.165 -2.142 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.102 -3.552 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.098 -2.057 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.911 -1.494 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.060 -1.384 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.490 -2.431 -0.973 1.00 0.00 H new ATOM 556 N LYS A 40 0.576 -7.294 -1.547 1.00 0.00 N ATOM 557 CA LYS A 40 0.203 -8.429 -2.383 1.00 0.00 C ATOM 558 C LYS A 40 -1.087 -8.143 -3.144 1.00 0.00 C ATOM 559 O LYS A 40 -2.182 -8.242 -2.590 1.00 0.00 O ATOM 560 CB LYS A 40 0.035 -9.686 -1.527 1.00 0.00 C ATOM 561 CG LYS A 40 -0.355 -10.918 -2.325 1.00 0.00 C ATOM 562 CD LYS A 40 -0.409 -12.158 -1.447 1.00 0.00 C ATOM 563 CE LYS A 40 0.985 -12.626 -1.058 1.00 0.00 C ATOM 564 NZ LYS A 40 0.945 -13.884 -0.262 1.00 0.00 N ATOM 0 H LYS A 40 0.194 -7.323 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 40 1.002 -8.594 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.969 -9.885 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.725 -9.500 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.328 -10.758 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.362 -11.073 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.986 -11.944 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.928 -12.957 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.579 -12.784 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.482 -11.846 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.914 -14.170 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.399 -13.726 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.494 -14.635 -0.822 1.00 0.00 H new ATOM 621 N MET A 44 0.012 -11.123 -6.763 1.00 0.00 N ATOM 622 CA MET A 44 1.399 -10.728 -6.982 1.00 0.00 C ATOM 623 C MET A 44 1.775 -9.548 -6.090 1.00 0.00 C ATOM 624 O MET A 44 1.004 -8.600 -5.944 1.00 0.00 O ATOM 625 CB MET A 44 1.622 -10.364 -8.451 1.00 0.00 C ATOM 626 CG MET A 44 1.397 -8.891 -8.753 1.00 0.00 C ATOM 627 SD MET A 44 1.905 -8.439 -10.422 1.00 0.00 S ATOM 628 CE MET A 44 1.649 -6.666 -10.386 1.00 0.00 C ATOM 0 HA MET A 44 2.037 -11.573 -6.724 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.640 -10.633 -8.733 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.952 -10.960 -9.070 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.341 -8.654 -8.622 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.950 -8.288 -8.033 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.225 -6.340 -11.336 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.964 -6.414 -9.577 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.603 -6.164 -10.223 1.00 0.00 H new ATOM 638 N GLU A 45 2.963 -9.615 -5.497 1.00 0.00 N ATOM 639 CA GLU A 45 3.438 -8.552 -4.620 1.00 0.00 C ATOM 640 C GLU A 45 4.259 -7.529 -5.400 1.00 0.00 C ATOM 641 O GLU A 45 5.139 -7.888 -6.183 1.00 0.00 O ATOM 642 CB GLU A 45 4.279 -9.137 -3.483 1.00 0.00 C ATOM 643 CG GLU A 45 3.467 -9.506 -2.253 1.00 0.00 C ATOM 644 CD GLU A 45 4.225 -10.416 -1.305 1.00 0.00 C ATOM 645 OE1 GLU A 45 5.390 -10.099 -0.985 1.00 0.00 O ATOM 646 OE2 GLU A 45 3.653 -11.443 -0.884 1.00 0.00 O ATOM 0 H GLU A 45 3.613 -10.393 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 45 2.568 -8.048 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.797 -10.025 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.044 -8.414 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.180 -8.596 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.546 -9.998 -2.565 1.00 0.00 H new ATOM 653 N THR A 46 3.964 -6.251 -5.180 1.00 0.00 N ATOM 654 CA THR A 46 4.672 -5.176 -5.862 1.00 0.00 C ATOM 655 C THR A 46 5.215 -4.156 -4.867 1.00 0.00 C ATOM 656 O THR A 46 4.539 -3.796 -3.903 1.00 0.00 O ATOM 657 CB THR A 46 3.760 -4.455 -6.873 1.00 0.00 C ATOM 658 OG1 THR A 46 3.318 -5.375 -7.877 1.00 0.00 O ATOM 659 CG2 THR A 46 4.490 -3.293 -7.528 1.00 0.00 C ATOM 0 H THR A 46 3.240 -5.936 -4.535 1.00 0.00 H new ATOM 0 HA THR A 46 5.503 -5.635 -6.397 1.00 0.00 H new ATOM 0 HB THR A 46 2.897 -4.063 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.481 -5.795 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.826 -2.800 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.799 -2.580 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.370 -3.665 -8.053 1.00 0.00 H new ATOM 667 N ILE A 47 6.437 -3.695 -5.107 1.00 0.00 N ATOM 668 CA ILE A 47 7.069 -2.715 -4.232 1.00 0.00 C ATOM 669 C ILE A 47 6.617 -1.300 -4.575 1.00 0.00 C ATOM 670 O ILE A 47 6.393 -0.974 -5.741 1.00 0.00 O ATOM 671 CB ILE A 47 8.605 -2.788 -4.321 1.00 0.00 C ATOM 672 CG1 ILE A 47 9.091 -4.198 -3.983 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.238 -1.766 -3.389 1.00 0.00 C ATOM 674 CD1 ILE A 47 10.540 -4.440 -4.343 1.00 0.00 C ATOM 0 H ILE A 47 7.010 -3.984 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 47 6.761 -2.955 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 47 8.907 -2.556 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.956 -4.374 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.469 -4.923 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.324 -1.830 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.913 -0.765 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.932 -1.970 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.816 -5.460 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.678 -4.296 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.172 -3.738 -3.799 1.00 0.00 H new ATOM 686 N TYR A 48 6.487 -0.462 -3.552 1.00 0.00 N ATOM 687 CA TYR A 48 6.062 0.919 -3.745 1.00 0.00 C ATOM 688 C TYR A 48 6.959 1.879 -2.969 1.00 0.00 C ATOM 689 O TYR A 48 7.037 1.818 -1.742 1.00 0.00 O ATOM 690 CB TYR A 48 4.607 1.093 -3.303 1.00 0.00 C ATOM 691 CG TYR A 48 3.624 0.295 -4.129 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.751 0.217 -5.511 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.568 -0.379 -3.529 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.854 -0.510 -6.270 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.668 -1.109 -4.280 1.00 0.00 C ATOM 696 CZ TYR A 48 1.815 -1.172 -5.650 1.00 0.00 C ATOM 697 OH TYR A 48 0.919 -1.898 -6.401 1.00 0.00 O ATOM 0 H TYR A 48 6.670 -0.715 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 48 6.143 1.153 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.516 0.797 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.343 2.149 -3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.564 0.733 -6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.449 -0.331 -2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.966 -0.560 -7.343 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.853 -1.628 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 48 0.402 -2.488 -5.813 1.00 0.00 H new ATOM 707 N ASP A 49 7.633 2.764 -3.694 1.00 0.00 N ATOM 708 CA ASP A 49 8.524 3.739 -3.076 1.00 0.00 C ATOM 709 C ASP A 49 7.749 4.676 -2.154 1.00 0.00 C ATOM 710 O ASP A 49 6.864 5.408 -2.598 1.00 0.00 O ATOM 711 CB ASP A 49 9.254 4.548 -4.149 1.00 0.00 C ATOM 712 CG ASP A 49 9.898 3.666 -5.201 1.00 0.00 C ATOM 713 OD1 ASP A 49 10.315 2.540 -4.857 1.00 0.00 O ATOM 714 OD2 ASP A 49 9.984 4.101 -6.368 1.00 0.00 O ATOM 0 H ASP A 49 7.580 2.827 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 49 9.258 3.196 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.550 5.227 -4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.020 5.164 -3.677 1.00 0.00 H new ATOM 719 N LEU A 50 8.087 4.647 -0.870 1.00 0.00 N ATOM 720 CA LEU A 50 7.423 5.493 0.115 1.00 0.00 C ATOM 721 C LEU A 50 8.233 6.758 0.382 1.00 0.00 C ATOM 722 O LEU A 50 9.382 6.691 0.816 1.00 0.00 O ATOM 723 CB LEU A 50 7.213 4.723 1.420 1.00 0.00 C ATOM 724 CG LEU A 50 6.468 3.393 1.302 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.431 2.680 2.645 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.058 3.616 0.776 1.00 0.00 C ATOM 0 H LEU A 50 8.817 4.047 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 50 6.453 5.784 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.189 4.532 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.666 5.363 2.112 1.00 0.00 H new ATOM 0 HG LEU A 50 7.003 2.761 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.897 1.736 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.449 2.486 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.920 3.307 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.543 2.659 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.513 4.267 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.106 4.083 -0.208 1.00 0.00 H new ATOM 738 N GLY A 51 7.624 7.911 0.122 1.00 0.00 N ATOM 739 CA GLY A 51 8.303 9.174 0.343 1.00 0.00 C ATOM 740 C GLY A 51 8.144 9.678 1.764 1.00 0.00 C ATOM 741 O GLY A 51 7.261 9.229 2.495 1.00 0.00 O ATOM 0 H GLY A 51 6.673 7.993 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.363 9.057 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.911 9.919 -0.349 1.00 0.00 H new ATOM 745 N THR A 52 9.004 10.612 2.159 1.00 0.00 N ATOM 746 CA THR A 52 8.957 11.175 3.502 1.00 0.00 C ATOM 747 C THR A 52 7.519 11.321 3.987 1.00 0.00 C ATOM 748 O THR A 52 7.122 10.710 4.979 1.00 0.00 O ATOM 749 CB THR A 52 9.649 12.550 3.560 1.00 0.00 C ATOM 750 OG1 THR A 52 11.021 12.424 3.168 1.00 0.00 O ATOM 751 CG2 THR A 52 9.569 13.138 4.960 1.00 0.00 C ATOM 0 H THR A 52 9.742 10.994 1.567 1.00 0.00 H new ATOM 0 HA THR A 52 9.489 10.482 4.154 1.00 0.00 H new ATOM 0 HB THR A 52 9.134 13.221 2.872 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.286 11.481 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.064 14.109 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.524 13.259 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.061 12.468 5.665 1.00 0.00 H new ATOM 759 N LYS A 53 6.742 12.135 3.281 1.00 0.00 N ATOM 760 CA LYS A 53 5.346 12.362 3.638 1.00 0.00 C ATOM 761 C LYS A 53 4.607 11.038 3.808 1.00 0.00 C ATOM 762 O LYS A 53 4.067 10.751 4.876 1.00 0.00 O ATOM 763 CB LYS A 53 4.656 13.210 2.567 1.00 0.00 C ATOM 764 CG LYS A 53 4.922 12.734 1.149 1.00 0.00 C ATOM 765 CD LYS A 53 4.961 13.895 0.170 1.00 0.00 C ATOM 766 CE LYS A 53 5.731 13.535 -1.091 1.00 0.00 C ATOM 767 NZ LYS A 53 4.910 12.720 -2.029 1.00 0.00 N ATOM 0 H LYS A 53 7.055 12.649 2.458 1.00 0.00 H new ATOM 0 HA LYS A 53 5.321 12.897 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.581 13.204 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.990 14.243 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.870 12.197 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.146 12.030 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.944 14.184 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.425 14.759 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.055 14.447 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.631 12.982 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.471 12.495 -2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.621 11.837 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.064 13.257 -2.307 1.00 0.00 H new ATOM 781 N MET A 54 4.588 10.236 2.749 1.00 0.00 N ATOM 782 CA MET A 54 3.916 8.942 2.783 1.00 0.00 C ATOM 783 C MET A 54 4.098 8.271 4.141 1.00 0.00 C ATOM 784 O MET A 54 3.135 7.792 4.741 1.00 0.00 O ATOM 785 CB MET A 54 4.456 8.034 1.676 1.00 0.00 C ATOM 786 CG MET A 54 3.709 8.171 0.360 1.00 0.00 C ATOM 787 SD MET A 54 3.909 6.729 -0.705 1.00 0.00 S ATOM 788 CE MET A 54 2.721 7.094 -1.995 1.00 0.00 C ATOM 0 H MET A 54 5.030 10.459 1.857 1.00 0.00 H new ATOM 0 HA MET A 54 2.851 9.109 2.619 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.509 8.262 1.512 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.402 6.997 2.009 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.649 8.324 0.563 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.065 9.058 -0.165 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.583 6.213 -2.622 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.768 7.371 -1.544 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.088 7.920 -2.604 1.00 0.00 H new ATOM 798 N ILE A 55 5.337 8.240 4.619 1.00 0.00 N ATOM 799 CA ILE A 55 5.644 7.628 5.907 1.00 0.00 C ATOM 800 C ILE A 55 4.842 8.279 7.029 1.00 0.00 C ATOM 801 O ILE A 55 4.211 7.593 7.832 1.00 0.00 O ATOM 802 CB ILE A 55 7.145 7.732 6.236 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.966 6.922 5.231 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.410 7.251 7.655 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.450 7.211 5.291 1.00 0.00 C ATOM 0 H ILE A 55 6.145 8.631 4.134 1.00 0.00 H new ATOM 0 HA ILE A 55 5.370 6.576 5.831 1.00 0.00 H new ATOM 0 HB ILE A 55 7.447 8.777 6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.803 5.860 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.603 7.132 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.475 7.330 7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.849 7.866 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.096 6.212 7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.970 6.602 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.624 8.266 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.827 6.974 6.286 1.00 0.00 H new ATOM 817 N GLU A 56 4.872 9.607 7.077 1.00 0.00 N ATOM 818 CA GLU A 56 4.147 10.351 8.101 1.00 0.00 C ATOM 819 C GLU A 56 2.783 9.721 8.366 1.00 0.00 C ATOM 820 O GLU A 56 2.250 9.813 9.472 1.00 0.00 O ATOM 821 CB GLU A 56 3.974 11.811 7.676 1.00 0.00 C ATOM 822 CG GLU A 56 5.285 12.568 7.553 1.00 0.00 C ATOM 823 CD GLU A 56 5.871 12.944 8.900 1.00 0.00 C ATOM 824 OE1 GLU A 56 5.352 13.887 9.532 1.00 0.00 O ATOM 825 OE2 GLU A 56 6.849 12.292 9.324 1.00 0.00 O ATOM 0 H GLU A 56 5.390 10.190 6.419 1.00 0.00 H new ATOM 0 HA GLU A 56 4.730 10.316 9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.455 11.843 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.338 12.319 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.003 11.957 7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.124 13.472 6.966 1.00 0.00 H new ATOM 832 N SER A 57 2.223 9.083 7.344 1.00 0.00 N ATOM 833 CA SER A 57 0.919 8.442 7.464 1.00 0.00 C ATOM 834 C SER A 57 1.041 7.087 8.154 1.00 0.00 C ATOM 835 O SER A 57 0.310 6.790 9.100 1.00 0.00 O ATOM 836 CB SER A 57 0.283 8.269 6.084 1.00 0.00 C ATOM 837 OG SER A 57 -1.130 8.211 6.177 1.00 0.00 O ATOM 0 H SER A 57 2.652 8.996 6.423 1.00 0.00 H new ATOM 0 HA SER A 57 0.281 9.084 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.574 9.098 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.658 7.357 5.619 1.00 0.00 H new ATOM 0 HG SER A 57 -1.479 7.611 5.485 1.00 0.00 H new ATOM 843 N LEU A 58 1.970 6.267 7.673 1.00 0.00 N ATOM 844 CA LEU A 58 2.190 4.942 8.243 1.00 0.00 C ATOM 845 C LEU A 58 2.472 5.032 9.739 1.00 0.00 C ATOM 846 O LEU A 58 2.435 4.028 10.451 1.00 0.00 O ATOM 847 CB LEU A 58 3.354 4.248 7.533 1.00 0.00 C ATOM 848 CG LEU A 58 3.267 4.180 6.008 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.113 3.034 5.476 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.819 4.029 5.563 1.00 0.00 C ATOM 0 H LEU A 58 2.582 6.496 6.890 1.00 0.00 H new ATOM 0 HA LEU A 58 1.282 4.356 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.276 4.764 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.434 3.231 7.918 1.00 0.00 H new ATOM 0 HG LEU A 58 3.657 5.112 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.039 3.001 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.153 3.185 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.754 2.093 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.776 3.982 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.403 3.113 5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.240 4.884 5.913 1.00 0.00 H new ATOM 862 N THR A 59 2.753 6.243 10.211 1.00 0.00 N ATOM 863 CA THR A 59 3.040 6.465 11.623 1.00 0.00 C ATOM 864 C THR A 59 1.773 6.820 12.393 1.00 0.00 C ATOM 865 O THR A 59 1.480 6.229 13.432 1.00 0.00 O ATOM 866 CB THR A 59 4.076 7.589 11.815 1.00 0.00 C ATOM 867 OG1 THR A 59 3.548 8.829 11.334 1.00 0.00 O ATOM 868 CG2 THR A 59 5.369 7.264 11.083 1.00 0.00 C ATOM 0 H THR A 59 2.788 7.085 9.636 1.00 0.00 H new ATOM 0 HA THR A 59 3.449 5.533 12.013 1.00 0.00 H new ATOM 0 HB THR A 59 4.292 7.676 12.880 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.023 8.668 10.523 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.085 8.072 11.233 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.784 6.334 11.473 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.166 7.152 10.018 1.00 0.00 H new ATOM 876 N LYS A 60 1.024 7.787 11.876 1.00 0.00 N ATOM 877 CA LYS A 60 -0.214 8.220 12.513 1.00 0.00 C ATOM 878 C LYS A 60 -1.085 7.023 12.880 1.00 0.00 C ATOM 879 O LYS A 60 -1.651 6.967 13.972 1.00 0.00 O ATOM 880 CB LYS A 60 -0.987 9.161 11.586 1.00 0.00 C ATOM 881 CG LYS A 60 -2.417 9.413 12.030 1.00 0.00 C ATOM 882 CD LYS A 60 -3.374 8.395 11.433 1.00 0.00 C ATOM 883 CE LYS A 60 -3.924 8.864 10.095 1.00 0.00 C ATOM 884 NZ LYS A 60 -4.742 7.811 9.431 1.00 0.00 N ATOM 0 H LYS A 60 1.253 8.287 11.017 1.00 0.00 H new ATOM 0 HA LYS A 60 0.045 8.753 13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.460 10.114 11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.996 8.740 10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.474 9.373 13.118 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.720 10.417 11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.859 7.443 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.198 8.219 12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.533 9.756 10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.098 9.148 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.098 8.170 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.155 6.969 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.545 7.558 10.042 1.00 0.00 H new ATOM 898 N ASP A 61 -1.186 6.068 11.963 1.00 0.00 N ATOM 899 CA ASP A 61 -1.986 4.870 12.191 1.00 0.00 C ATOM 900 C ASP A 61 -1.098 3.689 12.572 1.00 0.00 C ATOM 901 O ASP A 61 -1.588 2.589 12.832 1.00 0.00 O ATOM 902 CB ASP A 61 -2.802 4.530 10.944 1.00 0.00 C ATOM 903 CG ASP A 61 -4.078 3.781 11.273 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.088 3.040 12.278 1.00 0.00 O ATOM 905 OD2 ASP A 61 -5.067 3.934 10.525 1.00 0.00 O ATOM 0 H ASP A 61 -0.724 6.100 11.054 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.668 5.070 13.017 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.050 5.450 10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.194 3.927 10.269 1.00 0.00 H new ATOM 910 N LYS A 62 0.209 3.923 12.601 1.00 0.00 N ATOM 911 CA LYS A 62 1.166 2.879 12.949 1.00 0.00 C ATOM 912 C LYS A 62 0.934 1.626 12.110 1.00 0.00 C ATOM 913 O LYS A 62 0.941 0.510 12.628 1.00 0.00 O ATOM 914 CB LYS A 62 1.060 2.536 14.436 1.00 0.00 C ATOM 915 CG LYS A 62 1.407 3.696 15.354 1.00 0.00 C ATOM 916 CD LYS A 62 2.901 3.769 15.619 1.00 0.00 C ATOM 917 CE LYS A 62 3.332 2.752 16.665 1.00 0.00 C ATOM 918 NZ LYS A 62 4.765 2.374 16.513 1.00 0.00 N ATOM 0 H LYS A 62 0.631 4.827 12.388 1.00 0.00 H new ATOM 0 HA LYS A 62 2.167 3.255 12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.045 2.204 14.652 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.723 1.699 14.655 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.070 4.630 14.905 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.874 3.586 16.298 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.445 3.591 14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.163 4.772 15.955 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.169 3.164 17.661 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.710 1.860 16.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.020 1.680 17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.916 1.958 15.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.360 3.220 16.617 1.00 0.00 H new ATOM 932 N VAL A 63 0.730 1.819 10.810 1.00 0.00 N ATOM 933 CA VAL A 63 0.499 0.704 9.899 1.00 0.00 C ATOM 934 C VAL A 63 1.569 -0.369 10.062 1.00 0.00 C ATOM 935 O VAL A 63 2.752 -0.063 10.199 1.00 0.00 O ATOM 936 CB VAL A 63 0.476 1.174 8.433 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.254 -0.005 7.498 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.594 2.235 8.229 1.00 0.00 C ATOM 0 H VAL A 63 0.720 2.737 10.365 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.474 0.283 10.153 1.00 0.00 H new ATOM 0 HB VAL A 63 1.443 1.617 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.241 0.346 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.061 -0.727 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.699 -0.480 7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.595 2.555 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.570 1.821 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.385 3.091 8.871 1.00 0.00 H new ATOM 948 N GLN A 64 1.143 -1.628 10.045 1.00 0.00 N ATOM 949 CA GLN A 64 2.066 -2.748 10.191 1.00 0.00 C ATOM 950 C GLN A 64 1.736 -3.858 9.198 1.00 0.00 C ATOM 951 O GLN A 64 0.781 -3.752 8.428 1.00 0.00 O ATOM 952 CB GLN A 64 2.017 -3.294 11.619 1.00 0.00 C ATOM 953 CG GLN A 64 2.984 -2.603 12.567 1.00 0.00 C ATOM 954 CD GLN A 64 3.371 -3.478 13.744 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.345 -4.228 13.679 1.00 0.00 O ATOM 956 NE2 GLN A 64 2.610 -3.384 14.827 1.00 0.00 N ATOM 0 H GLN A 64 0.166 -1.898 9.932 1.00 0.00 H new ATOM 0 HA GLN A 64 3.073 -2.386 9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.003 -3.187 12.005 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.240 -4.361 11.599 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.883 -2.318 12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.530 -1.683 12.936 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.812 -2.749 14.836 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.823 -3.947 15.650 1.00 0.00 H new ATOM 965 N ALA A 65 2.532 -4.921 9.221 1.00 0.00 N ATOM 966 CA ALA A 65 2.324 -6.051 8.324 1.00 0.00 C ATOM 967 C ALA A 65 1.105 -6.867 8.743 1.00 0.00 C ATOM 968 O ALA A 65 0.788 -6.963 9.927 1.00 0.00 O ATOM 969 CB ALA A 65 3.564 -6.932 8.288 1.00 0.00 C ATOM 0 H ALA A 65 3.327 -5.024 9.851 1.00 0.00 H new ATOM 0 HA ALA A 65 2.141 -5.660 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.394 -7.772 7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.414 -6.349 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.773 -7.307 9.290 1.00 0.00 H new ATOM 975 N GLY A 66 0.425 -7.453 7.762 1.00 0.00 N ATOM 976 CA GLY A 66 -0.751 -8.252 8.049 1.00 0.00 C ATOM 977 C GLY A 66 -2.041 -7.489 7.820 1.00 0.00 C ATOM 978 O GLY A 66 -3.108 -8.087 7.679 1.00 0.00 O ATOM 0 H GLY A 66 0.668 -7.388 6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.743 -9.143 7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.712 -8.591 9.084 1.00 0.00 H new ATOM 982 N ASP A 67 -1.944 -6.164 7.783 1.00 0.00 N ATOM 983 CA ASP A 67 -3.112 -5.318 7.570 1.00 0.00 C ATOM 984 C ASP A 67 -3.242 -4.930 6.100 1.00 0.00 C ATOM 985 O ASP A 67 -2.340 -5.179 5.300 1.00 0.00 O ATOM 986 CB ASP A 67 -3.022 -4.060 8.436 1.00 0.00 C ATOM 987 CG ASP A 67 -3.606 -4.266 9.819 1.00 0.00 C ATOM 988 OD1 ASP A 67 -3.374 -5.343 10.407 1.00 0.00 O ATOM 989 OD2 ASP A 67 -4.297 -3.351 10.314 1.00 0.00 O ATOM 0 H ASP A 67 -1.069 -5.653 7.898 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.997 -5.885 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.978 -3.759 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.547 -3.243 7.941 1.00 0.00 H new ATOM 994 N VAL A 68 -4.370 -4.321 5.751 1.00 0.00 N ATOM 995 CA VAL A 68 -4.618 -3.899 4.378 1.00 0.00 C ATOM 996 C VAL A 68 -4.732 -2.382 4.281 1.00 0.00 C ATOM 997 O VAL A 68 -5.668 -1.785 4.813 1.00 0.00 O ATOM 998 CB VAL A 68 -5.904 -4.537 3.818 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.232 -3.963 2.448 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.763 -6.050 3.752 1.00 0.00 C ATOM 0 H VAL A 68 -5.127 -4.109 6.401 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.767 -4.235 3.785 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.729 -4.301 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.143 -4.425 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.379 -2.886 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.409 -4.166 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.680 -6.484 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.927 -6.310 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.580 -6.442 4.752 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.774 -1.765 3.598 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.768 -0.317 3.429 1.00 0.00 C ATOM 1012 C ILE A 69 -3.859 0.066 1.956 1.00 0.00 C ATOM 1013 O ILE A 69 -3.709 -0.779 1.073 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.502 0.315 4.036 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.264 -0.105 3.239 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.358 -0.084 5.497 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.998 0.767 2.032 1.00 0.00 C ATOM 0 H ILE A 69 -2.992 -2.245 3.153 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.643 0.065 3.955 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.595 1.400 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.394 -0.079 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.386 -1.137 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.458 0.371 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.229 0.260 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.284 -1.169 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.107 0.411 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.852 0.722 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.844 1.797 2.354 1.00 0.00 H new ATOM 1029 N THR A 70 -4.103 1.347 1.697 1.00 0.00 N ATOM 1030 CA THR A 70 -4.213 1.842 0.331 1.00 0.00 C ATOM 1031 C THR A 70 -3.182 2.932 0.057 1.00 0.00 C ATOM 1032 O THR A 70 -2.511 3.408 0.973 1.00 0.00 O ATOM 1033 CB THR A 70 -5.620 2.400 0.047 1.00 0.00 C ATOM 1034 OG1 THR A 70 -5.916 3.469 0.952 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.672 1.309 0.182 1.00 0.00 C ATOM 0 H THR A 70 -4.228 2.060 2.416 1.00 0.00 H new ATOM 0 HA THR A 70 -4.027 0.994 -0.328 1.00 0.00 H new ATOM 0 HB THR A 70 -5.637 2.776 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.812 3.819 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.658 1.727 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.461 0.510 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.652 0.907 1.195 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.063 3.322 -1.208 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.115 4.357 -1.601 1.00 0.00 C ATOM 1045 C ILE A 71 -2.692 5.242 -2.701 1.00 0.00 C ATOM 1046 O ILE A 71 -2.847 4.808 -3.842 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.788 3.749 -2.090 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.047 3.083 -0.928 1.00 0.00 C ATOM 1049 CG2 ILE A 71 0.080 4.819 -2.734 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.809 1.910 -1.349 1.00 0.00 C ATOM 0 H ILE A 71 -3.611 2.937 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.923 4.962 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.009 2.989 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.583 3.825 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.775 2.745 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.015 4.373 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.447 5.252 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.295 5.600 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.304 1.488 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.181 1.149 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.560 2.246 -2.064 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.005 6.484 -2.350 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.562 7.432 -3.308 1.00 0.00 C ATOM 1064 C ASP A 72 -2.453 8.201 -4.019 1.00 0.00 C ATOM 1065 O ASP A 72 -1.817 9.079 -3.435 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.505 8.409 -2.603 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.550 8.982 -3.539 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.170 9.717 -4.475 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.748 8.696 -3.336 1.00 0.00 O ATOM 0 H ASP A 72 -2.883 6.858 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.125 6.869 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.001 7.899 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.923 9.223 -2.171 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.224 7.864 -5.284 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.192 8.522 -6.077 1.00 0.00 C ATOM 1076 C LYS A 73 -1.588 9.958 -6.402 1.00 0.00 C ATOM 1077 O LYS A 73 -0.732 10.830 -6.551 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.941 7.745 -7.371 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.692 6.262 -7.152 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.309 5.564 -8.446 1.00 0.00 C ATOM 1081 CE LYS A 73 1.196 5.579 -8.664 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.857 4.394 -8.050 1.00 0.00 N ATOM 0 H LYS A 73 -2.740 7.139 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.275 8.542 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.800 7.867 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.082 8.177 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.102 6.130 -6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.588 5.799 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.664 4.534 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.804 6.053 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.408 5.600 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.616 6.490 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.882 4.441 -8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.676 4.388 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.475 3.525 -8.474 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.891 10.198 -6.510 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.400 11.529 -6.814 1.00 0.00 C ATOM 1098 C ALA A 74 -3.056 12.515 -5.703 1.00 0.00 C ATOM 1099 O ALA A 74 -2.563 13.614 -5.964 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.905 11.481 -7.033 1.00 0.00 C ATOM 0 H ALA A 74 -3.613 9.487 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.921 11.874 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.272 12.482 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.130 10.815 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.392 11.111 -6.131 1.00 0.00 H new ATOM 1106 N THR A 75 -3.320 12.118 -4.462 1.00 0.00 N ATOM 1107 CA THR A 75 -3.040 12.967 -3.312 1.00 0.00 C ATOM 1108 C THR A 75 -1.723 12.580 -2.650 1.00 0.00 C ATOM 1109 O THR A 75 -1.192 13.319 -1.821 1.00 0.00 O ATOM 1110 CB THR A 75 -4.169 12.888 -2.267 1.00 0.00 C ATOM 1111 OG1 THR A 75 -3.935 11.792 -1.375 1.00 0.00 O ATOM 1112 CG2 THR A 75 -5.521 12.719 -2.943 1.00 0.00 C ATOM 0 H THR A 75 -3.728 11.213 -4.228 1.00 0.00 H new ATOM 0 HA THR A 75 -2.970 13.989 -3.684 1.00 0.00 H new ATOM 0 HB THR A 75 -4.177 13.820 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.739 11.629 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.303 12.666 -2.185 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.709 13.569 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.522 11.801 -3.530 1.00 0.00 H new ATOM 1120 N GLY A 76 -1.198 11.416 -3.021 1.00 0.00 N ATOM 1121 CA GLY A 76 0.054 10.951 -2.454 1.00 0.00 C ATOM 1122 C GLY A 76 -0.060 10.640 -0.974 1.00 0.00 C ATOM 1123 O GLY A 76 0.923 10.721 -0.237 1.00 0.00 O ATOM 0 H GLY A 76 -1.618 10.786 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.381 10.057 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.822 11.710 -2.605 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.264 10.285 -0.537 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.504 9.962 0.864 1.00 0.00 C ATOM 1129 C LYS A 77 -1.864 8.488 1.028 1.00 0.00 C ATOM 1130 O LYS A 77 -2.397 7.864 0.110 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.627 10.837 1.426 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.151 12.190 1.926 1.00 0.00 C ATOM 1133 CD LYS A 77 -1.762 12.137 3.394 1.00 0.00 C ATOM 1134 CE LYS A 77 -1.946 13.487 4.069 1.00 0.00 C ATOM 1135 NZ LYS A 77 -0.717 14.322 3.984 1.00 0.00 N ATOM 0 H LYS A 77 -2.088 10.214 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.586 10.159 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.380 10.989 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.114 10.307 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.296 12.518 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.939 12.929 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.367 11.388 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.722 11.822 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.777 14.016 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.211 13.337 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.883 15.234 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.071 13.829 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.478 14.487 2.985 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.570 7.940 2.202 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.865 6.541 2.486 1.00 0.00 C ATOM 1151 C ILE A 78 -2.924 6.412 3.576 1.00 0.00 C ATOM 1152 O ILE A 78 -2.849 7.076 4.610 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.601 5.776 2.922 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.444 5.797 1.805 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -0.952 4.344 3.299 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.869 5.744 2.310 1.00 0.00 C ATOM 0 H ILE A 78 -1.128 8.443 2.971 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.243 6.105 1.561 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.180 6.269 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.271 4.951 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.311 6.701 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.049 3.816 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.666 4.349 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.394 3.839 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.556 5.762 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.060 6.605 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.019 4.827 2.880 1.00 0.00 H new ATOM 1168 N SER A 79 -3.910 5.554 3.337 1.00 0.00 N ATOM 1169 CA SER A 79 -4.987 5.339 4.297 1.00 0.00 C ATOM 1170 C SER A 79 -5.071 3.870 4.700 1.00 0.00 C ATOM 1171 O SER A 79 -4.730 2.980 3.921 1.00 0.00 O ATOM 1172 CB SER A 79 -6.323 5.796 3.708 1.00 0.00 C ATOM 1173 OG SER A 79 -6.396 7.210 3.645 1.00 0.00 O ATOM 0 H SER A 79 -3.986 4.996 2.487 1.00 0.00 H new ATOM 0 HA SER A 79 -4.770 5.930 5.187 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.446 5.378 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.142 5.413 4.317 1.00 0.00 H new ATOM 0 HG SER A 79 -7.258 7.476 3.263 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.527 3.624 5.923 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.658 2.264 6.432 1.00 0.00 C ATOM 1181 C LYS A 80 -7.122 1.837 6.473 1.00 0.00 C ATOM 1182 O LYS A 80 -7.991 2.603 6.891 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.046 2.159 7.831 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.949 0.734 8.347 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.153 0.662 9.639 1.00 0.00 C ATOM 1186 CE LYS A 80 -4.045 -0.768 10.148 1.00 0.00 C ATOM 1187 NZ LYS A 80 -3.327 -0.840 11.451 1.00 0.00 N ATOM 0 H LYS A 80 -5.812 4.349 6.581 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.122 1.597 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.049 2.600 7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.645 2.748 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.951 0.337 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.478 0.104 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.155 1.068 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.630 1.284 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.044 -1.190 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.522 -1.377 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.289 -1.828 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.360 -0.476 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.830 -0.266 12.157 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.388 0.610 6.038 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.747 0.081 6.027 1.00 0.00 C ATOM 1203 C LEU A 81 -8.899 -1.052 7.037 1.00 0.00 C ATOM 1204 O LEU A 81 -9.836 -1.066 7.834 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.110 -0.416 4.627 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.416 0.291 3.462 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.661 -0.457 2.161 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.897 1.731 3.350 1.00 0.00 C ATOM 0 H LEU A 81 -6.681 -0.037 5.689 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.426 0.886 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.879 -1.480 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.188 -0.316 4.496 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.343 0.301 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.160 0.061 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.268 -1.470 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.732 -0.499 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.393 2.219 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.974 1.743 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.669 2.264 4.273 1.00 0.00 H new