USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 34 HIS : no HD1:sc= -2.95 K(o=-2.9,f=-4.1!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= 0 X(o=-2.2,f=-2.2) USER MOD Set 2.2: A 28 ASN : amide:sc= -2.19 K(o=-2.2,f=-5.1!) USER MOD Single : A 16 THR OG1 : rot -148:sc= -2.58! USER MOD Single : A 18 MET CE :methyl 166:sc= -0.0127 (180deg=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.51) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.243 K(o=-0.24,f=-3.4!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 99:sc= 1.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00812 USER MOD Single : A 51 HIS : no HD1:sc= -3.74 K(o=-3.7,f=-5.2!) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.22) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= 0.122 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -2.076 -3.849 -8.494 1.00 0.00 N ATOM 184 CA GLY A 13 -0.788 -4.573 -8.713 1.00 0.00 C ATOM 185 C GLY A 13 0.381 -3.584 -8.838 1.00 0.00 C ATOM 186 O GLY A 13 1.529 -3.990 -8.892 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.605 -5.256 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.856 -5.179 -9.617 1.00 0.00 H new ATOM 190 N GLY A 14 0.113 -2.298 -8.884 1.00 0.00 N ATOM 191 CA GLY A 14 1.221 -1.306 -9.003 1.00 0.00 C ATOM 192 C GLY A 14 1.654 -0.871 -7.607 1.00 0.00 C ATOM 193 O GLY A 14 2.830 -0.761 -7.311 1.00 0.00 O ATOM 0 H GLY A 14 -0.824 -1.898 -8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.063 -1.745 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.892 -0.442 -9.581 1.00 0.00 H new ATOM 197 N ILE A 15 0.701 -0.619 -6.753 1.00 0.00 N ATOM 198 CA ILE A 15 1.023 -0.181 -5.367 1.00 0.00 C ATOM 199 C ILE A 15 1.677 -1.335 -4.609 1.00 0.00 C ATOM 200 O ILE A 15 2.652 -1.153 -3.905 1.00 0.00 O ATOM 201 CB ILE A 15 -0.264 0.223 -4.639 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.124 1.142 -5.531 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.100 0.959 -3.351 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.513 0.525 -5.705 1.00 0.00 C ATOM 0 H ILE A 15 -0.295 -0.699 -6.958 1.00 0.00 H new ATOM 0 HA ILE A 15 1.703 0.670 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.838 -0.674 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.207 2.131 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.648 1.274 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.811 1.249 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.692 0.303 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.679 1.850 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.123 1.173 -6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.420 -0.454 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.988 0.416 -4.730 1.00 0.00 H new ATOM 216 N THR A 16 1.135 -2.521 -4.738 1.00 0.00 N ATOM 217 CA THR A 16 1.709 -3.697 -4.018 1.00 0.00 C ATOM 218 C THR A 16 3.174 -3.894 -4.423 1.00 0.00 C ATOM 219 O THR A 16 3.995 -4.304 -3.624 1.00 0.00 O ATOM 220 CB THR A 16 0.909 -4.956 -4.366 1.00 0.00 C ATOM 221 OG1 THR A 16 1.520 -6.083 -3.753 1.00 0.00 O ATOM 222 CG2 THR A 16 0.883 -5.154 -5.882 1.00 0.00 C ATOM 0 H THR A 16 0.317 -2.725 -5.313 1.00 0.00 H new ATOM 0 HA THR A 16 1.655 -3.517 -2.944 1.00 0.00 H new ATOM 0 HB THR A 16 -0.113 -4.846 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.386 -6.874 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.312 -6.051 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.416 -4.290 -6.354 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.902 -5.263 -6.252 1.00 0.00 H new ATOM 230 N ASP A 17 3.504 -3.601 -5.656 1.00 0.00 N ATOM 231 CA ASP A 17 4.913 -3.765 -6.118 1.00 0.00 C ATOM 232 C ASP A 17 5.818 -2.822 -5.323 1.00 0.00 C ATOM 233 O ASP A 17 6.954 -3.141 -5.025 1.00 0.00 O ATOM 234 CB ASP A 17 5.005 -3.427 -7.607 1.00 0.00 C ATOM 235 CG ASP A 17 6.270 -4.055 -8.196 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.559 -5.190 -7.854 1.00 0.00 O ATOM 237 OD2 ASP A 17 6.929 -3.390 -8.978 1.00 0.00 O ATOM 0 H ASP A 17 2.855 -3.255 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 17 5.231 -4.796 -5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.124 -3.799 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.025 -2.346 -7.745 1.00 0.00 H new ATOM 242 N MET A 18 5.315 -1.665 -4.975 1.00 0.00 N ATOM 243 CA MET A 18 6.133 -0.691 -4.193 1.00 0.00 C ATOM 244 C MET A 18 5.941 -0.927 -2.688 1.00 0.00 C ATOM 245 O MET A 18 6.719 -0.451 -1.881 1.00 0.00 O ATOM 246 CB MET A 18 5.699 0.734 -4.543 1.00 0.00 C ATOM 247 CG MET A 18 6.367 1.164 -5.852 1.00 0.00 C ATOM 248 SD MET A 18 6.689 2.946 -5.816 1.00 0.00 S ATOM 249 CE MET A 18 5.795 3.370 -7.330 1.00 0.00 C ATOM 0 H MET A 18 4.370 -1.353 -5.200 1.00 0.00 H new ATOM 0 HA MET A 18 7.185 -0.829 -4.443 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.615 0.781 -4.643 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.975 1.417 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.300 0.619 -5.991 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.725 0.918 -6.697 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.649 4.449 -7.376 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.371 3.044 -8.196 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.825 2.872 -7.331 1.00 0.00 H new ATOM 259 N LEU A 19 4.922 -1.662 -2.300 1.00 0.00 N ATOM 260 CA LEU A 19 4.696 -1.927 -0.851 1.00 0.00 C ATOM 261 C LEU A 19 5.480 -3.172 -0.460 1.00 0.00 C ATOM 262 O LEU A 19 6.008 -3.274 0.630 1.00 0.00 O ATOM 263 CB LEU A 19 3.205 -2.172 -0.600 1.00 0.00 C ATOM 264 CG LEU A 19 2.467 -0.834 -0.474 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.091 -0.944 -1.132 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.289 -0.484 1.005 1.00 0.00 C ATOM 0 H LEU A 19 4.240 -2.087 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 19 5.024 -1.071 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.781 -2.755 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.072 -2.757 0.310 1.00 0.00 H new ATOM 0 HG LEU A 19 3.049 -0.055 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.567 0.008 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.211 -1.194 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.513 -1.725 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.764 0.467 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.709 -1.265 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.267 -0.404 1.480 1.00 0.00 H new ATOM 278 N VAL A 20 5.557 -4.118 -1.355 1.00 0.00 N ATOM 279 CA VAL A 20 6.301 -5.373 -1.073 1.00 0.00 C ATOM 280 C VAL A 20 7.801 -5.118 -1.242 1.00 0.00 C ATOM 281 O VAL A 20 8.622 -5.725 -0.579 1.00 0.00 O ATOM 282 CB VAL A 20 5.845 -6.449 -2.060 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.527 -7.772 -1.728 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.327 -6.623 -1.960 1.00 0.00 C ATOM 0 H VAL A 20 5.130 -4.072 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 20 6.106 -5.705 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 20 6.113 -6.146 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.200 -8.537 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.608 -7.652 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.261 -8.074 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.002 -7.390 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.061 -6.924 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.836 -5.680 -2.199 1.00 0.00 H new ATOM 294 N GLU A 21 8.160 -4.227 -2.131 1.00 0.00 N ATOM 295 CA GLU A 21 9.604 -3.927 -2.358 1.00 0.00 C ATOM 296 C GLU A 21 10.176 -3.178 -1.152 1.00 0.00 C ATOM 297 O GLU A 21 11.113 -3.635 -0.518 1.00 0.00 O ATOM 298 CB GLU A 21 9.752 -3.061 -3.611 1.00 0.00 C ATOM 299 CG GLU A 21 11.197 -3.126 -4.109 1.00 0.00 C ATOM 300 CD GLU A 21 11.432 -2.019 -5.138 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.661 -1.938 -6.079 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.380 -1.270 -4.966 1.00 0.00 O ATOM 0 H GLU A 21 7.512 -3.693 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 21 10.148 -4.862 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.072 -3.409 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.479 -2.030 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.887 -3.012 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.396 -4.100 -4.555 1.00 0.00 H new ATOM 309 N LEU A 22 9.627 -2.031 -0.830 1.00 0.00 N ATOM 310 CA LEU A 22 10.156 -1.261 0.333 1.00 0.00 C ATOM 311 C LEU A 22 9.940 -2.072 1.618 1.00 0.00 C ATOM 312 O LEU A 22 10.747 -2.036 2.526 1.00 0.00 O ATOM 313 CB LEU A 22 9.463 0.119 0.412 1.00 0.00 C ATOM 314 CG LEU A 22 8.051 0.011 1.012 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.138 0.096 2.543 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.186 1.158 0.486 1.00 0.00 C ATOM 0 H LEU A 22 8.842 -1.600 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 22 11.225 -1.089 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.066 0.795 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.403 0.554 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 22 7.605 -0.942 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.138 0.020 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.756 -0.720 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.583 1.049 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.185 1.083 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.631 2.111 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.125 1.099 -0.601 1.00 0.00 H new ATOM 328 N ALA A 23 8.852 -2.807 1.692 1.00 0.00 N ATOM 329 CA ALA A 23 8.564 -3.630 2.912 1.00 0.00 C ATOM 330 C ALA A 23 9.777 -4.499 3.246 1.00 0.00 C ATOM 331 O ALA A 23 10.170 -4.621 4.391 1.00 0.00 O ATOM 332 CB ALA A 23 7.355 -4.530 2.649 1.00 0.00 C ATOM 0 H ALA A 23 8.149 -2.872 0.956 1.00 0.00 H new ATOM 0 HA ALA A 23 8.351 -2.966 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.147 -5.128 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.487 -3.914 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.569 -5.190 1.809 1.00 0.00 H new ATOM 338 N ASN A 24 10.389 -5.084 2.245 1.00 0.00 N ATOM 339 CA ASN A 24 11.597 -5.923 2.489 1.00 0.00 C ATOM 340 C ASN A 24 12.697 -5.021 3.049 1.00 0.00 C ATOM 341 O ASN A 24 13.441 -5.400 3.931 1.00 0.00 O ATOM 342 CB ASN A 24 12.062 -6.551 1.171 1.00 0.00 C ATOM 343 CG ASN A 24 11.542 -7.986 1.076 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.951 -8.844 1.833 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.652 -8.285 0.170 1.00 0.00 N ATOM 0 H ASN A 24 10.101 -5.015 1.269 1.00 0.00 H new ATOM 0 HA ASN A 24 11.368 -6.721 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.697 -5.964 0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.151 -6.543 1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.299 -9.239 0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.309 -7.564 -0.465 1.00 0.00 H new ATOM 352 N PHE A 25 12.781 -3.816 2.546 1.00 0.00 N ATOM 353 CA PHE A 25 13.808 -2.854 3.041 1.00 0.00 C ATOM 354 C PHE A 25 13.573 -2.562 4.527 1.00 0.00 C ATOM 355 O PHE A 25 14.481 -2.174 5.238 1.00 0.00 O ATOM 356 CB PHE A 25 13.695 -1.551 2.247 1.00 0.00 C ATOM 357 CG PHE A 25 14.849 -0.642 2.594 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.050 -0.735 1.883 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.717 0.293 3.627 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.120 0.109 2.203 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.787 1.137 3.948 1.00 0.00 C ATOM 362 CZ PHE A 25 16.989 1.044 3.237 1.00 0.00 C ATOM 0 H PHE A 25 12.177 -3.456 1.808 1.00 0.00 H new ATOM 0 HA PHE A 25 14.801 -3.285 2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.696 -1.764 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.750 -1.057 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.152 -1.458 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.790 0.363 4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.046 0.039 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.685 1.860 4.744 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.815 1.693 3.486 1.00 0.00 H new ATOM 372 N GLU A 26 12.364 -2.744 5.000 1.00 0.00 N ATOM 373 CA GLU A 26 12.076 -2.474 6.441 1.00 0.00 C ATOM 374 C GLU A 26 12.616 -3.630 7.286 1.00 0.00 C ATOM 375 O GLU A 26 13.426 -3.436 8.172 1.00 0.00 O ATOM 376 CB GLU A 26 10.561 -2.337 6.676 1.00 0.00 C ATOM 377 CG GLU A 26 9.894 -1.518 5.556 1.00 0.00 C ATOM 378 CD GLU A 26 10.547 -0.134 5.440 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.737 -0.079 5.177 1.00 0.00 O ATOM 380 OE2 GLU A 26 9.840 0.846 5.608 1.00 0.00 O ATOM 0 H GLU A 26 11.567 -3.067 4.451 1.00 0.00 H new ATOM 0 HA GLU A 26 12.560 -1.540 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.107 -3.327 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.382 -1.856 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.982 -2.049 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.829 -1.408 5.762 1.00 0.00 H new ATOM 387 N LYS A 27 12.168 -4.832 7.018 1.00 0.00 N ATOM 388 CA LYS A 27 12.648 -6.009 7.802 1.00 0.00 C ATOM 389 C LYS A 27 14.127 -6.264 7.500 1.00 0.00 C ATOM 390 O LYS A 27 14.905 -6.560 8.387 1.00 0.00 O ATOM 391 CB LYS A 27 11.827 -7.243 7.421 1.00 0.00 C ATOM 392 CG LYS A 27 12.208 -8.412 8.332 1.00 0.00 C ATOM 393 CD LYS A 27 11.660 -9.715 7.746 1.00 0.00 C ATOM 394 CE LYS A 27 12.594 -10.871 8.110 1.00 0.00 C ATOM 395 NZ LYS A 27 13.619 -11.035 7.040 1.00 0.00 N ATOM 0 H LYS A 27 11.489 -5.048 6.288 1.00 0.00 H new ATOM 0 HA LYS A 27 12.529 -5.806 8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.763 -7.028 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.009 -7.506 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.292 -8.472 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.806 -8.253 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.659 -9.907 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.573 -9.631 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.079 -10.674 9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.023 -11.792 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.255 -11.820 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.147 -11.241 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.171 -10.158 6.950 1.00 0.00 H new ATOM 409 N ASN A 28 14.523 -6.148 6.254 1.00 0.00 N ATOM 410 CA ASN A 28 15.957 -6.379 5.889 1.00 0.00 C ATOM 411 C ASN A 28 16.854 -5.431 6.691 1.00 0.00 C ATOM 412 O ASN A 28 18.012 -5.715 6.933 1.00 0.00 O ATOM 413 CB ASN A 28 16.155 -6.121 4.392 1.00 0.00 C ATOM 414 CG ASN A 28 15.566 -7.283 3.589 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.788 -7.075 2.680 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.910 -8.507 3.886 1.00 0.00 N ATOM 0 H ASN A 28 13.914 -5.903 5.473 1.00 0.00 H new ATOM 0 HA ASN A 28 16.223 -7.411 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.672 -5.187 4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.216 -6.012 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.525 -9.288 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.563 -8.682 4.649 1.00 0.00 H new ATOM 423 N VAL A 29 16.322 -4.311 7.114 1.00 0.00 N ATOM 424 CA VAL A 29 17.127 -3.345 7.910 1.00 0.00 C ATOM 425 C VAL A 29 16.983 -3.707 9.397 1.00 0.00 C ATOM 426 O VAL A 29 16.110 -4.469 9.773 1.00 0.00 O ATOM 427 CB VAL A 29 16.616 -1.920 7.629 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.266 -0.910 8.584 1.00 0.00 C ATOM 429 CG2 VAL A 29 16.970 -1.541 6.190 1.00 0.00 C ATOM 0 H VAL A 29 15.358 -4.026 6.939 1.00 0.00 H new ATOM 0 HA VAL A 29 18.181 -3.390 7.637 1.00 0.00 H new ATOM 0 HB VAL A 29 15.536 -1.899 7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.890 0.090 8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.023 -1.174 9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.348 -0.928 8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.612 -0.533 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.052 -1.576 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.499 -2.243 5.502 1.00 0.00 H new ATOM 439 N SER A 30 17.846 -3.191 10.234 1.00 0.00 N ATOM 440 CA SER A 30 17.782 -3.526 11.689 1.00 0.00 C ATOM 441 C SER A 30 16.660 -2.743 12.382 1.00 0.00 C ATOM 442 O SER A 30 15.667 -3.310 12.798 1.00 0.00 O ATOM 443 CB SER A 30 19.124 -3.187 12.343 1.00 0.00 C ATOM 444 OG SER A 30 19.487 -4.233 13.235 1.00 0.00 O ATOM 0 H SER A 30 18.595 -2.550 9.972 1.00 0.00 H new ATOM 0 HA SER A 30 17.573 -4.591 11.794 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.892 -3.060 11.580 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.051 -2.242 12.882 1.00 0.00 H new ATOM 0 HG SER A 30 20.347 -4.021 13.655 1.00 0.00 H new ATOM 450 N GLN A 31 16.822 -1.451 12.530 1.00 0.00 N ATOM 451 CA GLN A 31 15.779 -0.635 13.223 1.00 0.00 C ATOM 452 C GLN A 31 14.653 -0.266 12.250 1.00 0.00 C ATOM 453 O GLN A 31 14.378 0.898 12.018 1.00 0.00 O ATOM 454 CB GLN A 31 16.424 0.639 13.777 1.00 0.00 C ATOM 455 CG GLN A 31 16.998 0.358 15.167 1.00 0.00 C ATOM 456 CD GLN A 31 15.854 0.159 16.163 1.00 0.00 C ATOM 457 OE1 GLN A 31 15.369 1.109 16.746 1.00 0.00 O ATOM 458 NE2 GLN A 31 15.398 -1.043 16.382 1.00 0.00 N ATOM 0 H GLN A 31 17.632 -0.927 12.200 1.00 0.00 H new ATOM 0 HA GLN A 31 15.353 -1.218 14.039 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.214 0.980 13.108 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.686 1.439 13.832 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.628 -0.531 15.139 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.631 1.187 15.485 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.805 -1.840 15.893 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.634 -1.186 17.043 1.00 0.00 H new ATOM 467 N ALA A 32 13.989 -1.248 11.688 1.00 0.00 N ATOM 468 CA ALA A 32 12.872 -0.948 10.744 1.00 0.00 C ATOM 469 C ALA A 32 11.835 -2.076 10.790 1.00 0.00 C ATOM 470 O ALA A 32 11.601 -2.761 9.811 1.00 0.00 O ATOM 471 CB ALA A 32 13.424 -0.803 9.326 1.00 0.00 C ATOM 0 H ALA A 32 14.173 -2.239 11.843 1.00 0.00 H new ATOM 0 HA ALA A 32 12.392 -0.015 11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.607 -0.584 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.149 0.011 9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.910 -1.732 9.028 1.00 0.00 H new ATOM 477 N ILE A 33 11.206 -2.267 11.922 1.00 0.00 N ATOM 478 CA ILE A 33 10.176 -3.340 12.042 1.00 0.00 C ATOM 479 C ILE A 33 8.786 -2.688 12.162 1.00 0.00 C ATOM 480 O ILE A 33 7.795 -3.251 11.747 1.00 0.00 O ATOM 481 CB ILE A 33 10.537 -4.256 13.254 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.711 -5.703 12.767 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.470 -4.235 14.360 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.833 -5.782 11.724 1.00 0.00 C ATOM 0 H ILE A 33 11.363 -1.723 12.771 1.00 0.00 H new ATOM 0 HA ILE A 33 10.154 -3.976 11.157 1.00 0.00 H new ATOM 0 HB ILE A 33 11.462 -3.867 13.679 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.943 -6.353 13.611 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.777 -6.063 12.335 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.778 -4.891 15.175 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.355 -3.218 14.736 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.519 -4.581 13.955 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.945 -6.813 11.388 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.584 -5.148 10.873 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.768 -5.442 12.169 1.00 0.00 H new ATOM 496 N HIS A 34 8.716 -1.508 12.720 1.00 0.00 N ATOM 497 CA HIS A 34 7.389 -0.815 12.853 1.00 0.00 C ATOM 498 C HIS A 34 6.849 -0.520 11.450 1.00 0.00 C ATOM 499 O HIS A 34 5.711 -0.821 11.131 1.00 0.00 O ATOM 500 CB HIS A 34 7.513 0.505 13.647 1.00 0.00 C ATOM 501 CG HIS A 34 8.826 1.197 13.362 1.00 0.00 C ATOM 502 ND1 HIS A 34 9.963 0.945 14.111 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.202 2.114 12.409 1.00 0.00 C ATOM 504 CE1 HIS A 34 10.958 1.690 13.604 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.549 2.423 12.566 1.00 0.00 N ATOM 0 H HIS A 34 9.514 -0.991 13.090 1.00 0.00 H new ATOM 0 HA HIS A 34 6.708 -1.468 13.400 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.687 1.167 13.387 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.433 0.299 14.714 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.551 2.530 11.654 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.967 1.696 13.989 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.105 3.071 12.008 1.00 0.00 H new ATOM 513 N LYS A 35 7.668 0.052 10.608 1.00 0.00 N ATOM 514 CA LYS A 35 7.226 0.360 9.215 1.00 0.00 C ATOM 515 C LYS A 35 7.064 -0.947 8.431 1.00 0.00 C ATOM 516 O LYS A 35 6.304 -1.020 7.487 1.00 0.00 O ATOM 517 CB LYS A 35 8.259 1.257 8.512 1.00 0.00 C ATOM 518 CG LYS A 35 9.686 0.730 8.749 1.00 0.00 C ATOM 519 CD LYS A 35 10.491 1.746 9.571 1.00 0.00 C ATOM 520 CE LYS A 35 11.489 2.474 8.666 1.00 0.00 C ATOM 521 NZ LYS A 35 12.418 3.285 9.502 1.00 0.00 N ATOM 0 H LYS A 35 8.628 0.320 10.825 1.00 0.00 H new ATOM 0 HA LYS A 35 6.272 0.886 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.051 1.291 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.176 2.278 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.647 -0.225 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.179 0.550 7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.817 2.465 10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.021 1.237 10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.052 1.753 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.958 3.118 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.096 3.780 8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.874 3.982 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.934 2.660 10.154 1.00 0.00 H new ATOM 535 N TYR A 36 7.767 -1.986 8.822 1.00 0.00 N ATOM 536 CA TYR A 36 7.657 -3.301 8.111 1.00 0.00 C ATOM 537 C TYR A 36 6.180 -3.720 8.016 1.00 0.00 C ATOM 538 O TYR A 36 5.625 -3.812 6.938 1.00 0.00 O ATOM 539 CB TYR A 36 8.453 -4.352 8.897 1.00 0.00 C ATOM 540 CG TYR A 36 8.396 -5.691 8.198 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.716 -5.793 6.840 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.026 -6.832 8.918 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.664 -7.035 6.201 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.974 -8.075 8.281 1.00 0.00 C ATOM 545 CZ TYR A 36 8.294 -8.179 6.921 1.00 0.00 C ATOM 546 OH TYR A 36 8.243 -9.405 6.291 1.00 0.00 O ATOM 0 H TYR A 36 8.416 -1.978 9.609 1.00 0.00 H new ATOM 0 HA TYR A 36 8.059 -3.214 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.490 -4.031 8.997 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.049 -4.444 9.905 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.003 -4.912 6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.780 -6.752 9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.909 -7.113 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.687 -8.955 8.837 1.00 0.00 H new ATOM 0 HH TYR A 36 7.970 -10.092 6.934 1.00 0.00 H new ATOM 556 N ASN A 37 5.545 -3.963 9.136 1.00 0.00 N ATOM 557 CA ASN A 37 4.105 -4.364 9.125 1.00 0.00 C ATOM 558 C ASN A 37 3.272 -3.290 8.414 1.00 0.00 C ATOM 559 O ASN A 37 2.222 -3.570 7.866 1.00 0.00 O ATOM 560 CB ASN A 37 3.610 -4.522 10.563 1.00 0.00 C ATOM 561 CG ASN A 37 4.298 -5.724 11.213 1.00 0.00 C ATOM 562 OD1 ASN A 37 5.503 -5.859 11.142 1.00 0.00 O ATOM 563 ND2 ASN A 37 3.579 -6.609 11.848 1.00 0.00 N ATOM 0 H ASN A 37 5.966 -3.900 10.063 1.00 0.00 H new ATOM 0 HA ASN A 37 3.999 -5.311 8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.822 -3.617 11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.529 -4.660 10.573 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.029 -7.414 12.284 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.567 -6.496 11.908 1.00 0.00 H new ATOM 570 N ALA A 38 3.738 -2.062 8.412 1.00 0.00 N ATOM 571 CA ALA A 38 2.987 -0.960 7.731 1.00 0.00 C ATOM 572 C ALA A 38 2.745 -1.324 6.260 1.00 0.00 C ATOM 573 O ALA A 38 1.621 -1.507 5.831 1.00 0.00 O ATOM 574 CB ALA A 38 3.815 0.326 7.797 1.00 0.00 C ATOM 0 H ALA A 38 4.611 -1.776 8.855 1.00 0.00 H new ATOM 0 HA ALA A 38 2.029 -0.816 8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.274 1.133 7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.991 0.592 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.770 0.170 7.296 1.00 0.00 H new ATOM 580 N TYR A 39 3.796 -1.418 5.490 1.00 0.00 N ATOM 581 CA TYR A 39 3.649 -1.753 4.044 1.00 0.00 C ATOM 582 C TYR A 39 3.312 -3.238 3.881 1.00 0.00 C ATOM 583 O TYR A 39 2.684 -3.632 2.917 1.00 0.00 O ATOM 584 CB TYR A 39 4.957 -1.433 3.316 1.00 0.00 C ATOM 585 CG TYR A 39 5.314 0.020 3.533 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.052 0.400 4.661 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.908 0.989 2.608 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.382 1.744 4.865 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.238 2.333 2.810 1.00 0.00 C ATOM 590 CZ TYR A 39 5.975 2.711 3.939 1.00 0.00 C ATOM 591 OH TYR A 39 6.299 4.039 4.138 1.00 0.00 O ATOM 0 H TYR A 39 4.756 -1.276 5.803 1.00 0.00 H new ATOM 0 HA TYR A 39 2.840 -1.161 3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.757 -2.074 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.852 -1.637 2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.367 -0.346 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.339 0.698 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.950 2.035 5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.924 3.079 2.095 1.00 0.00 H new ATOM 0 HH TYR A 39 5.941 4.577 3.401 1.00 0.00 H new ATOM 601 N ARG A 40 3.721 -4.060 4.814 1.00 0.00 N ATOM 602 CA ARG A 40 3.421 -5.519 4.712 1.00 0.00 C ATOM 603 C ARG A 40 1.914 -5.739 4.857 1.00 0.00 C ATOM 604 O ARG A 40 1.329 -6.558 4.173 1.00 0.00 O ATOM 605 CB ARG A 40 4.153 -6.273 5.825 1.00 0.00 C ATOM 606 CG ARG A 40 5.499 -6.775 5.300 1.00 0.00 C ATOM 607 CD ARG A 40 5.297 -8.098 4.557 1.00 0.00 C ATOM 608 NE ARG A 40 4.887 -9.158 5.529 1.00 0.00 N ATOM 609 CZ ARG A 40 4.380 -10.306 5.122 1.00 0.00 C ATOM 610 NH1 ARG A 40 4.213 -10.570 3.846 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.038 -11.201 6.007 1.00 0.00 N ATOM 0 H ARG A 40 4.249 -3.783 5.641 1.00 0.00 H new ATOM 0 HA ARG A 40 3.754 -5.890 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.306 -5.618 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.549 -7.112 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.940 -6.035 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.195 -6.913 6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.535 -7.982 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.219 -8.389 4.053 1.00 0.00 H new ATOM 0 HE ARG A 40 5.002 -8.990 6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.478 -9.879 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.819 -11.466 3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.164 -11.009 7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.645 -12.092 5.705 1.00 0.00 H new ATOM 625 N LYS A 41 1.283 -5.011 5.744 1.00 0.00 N ATOM 626 CA LYS A 41 -0.187 -5.169 5.943 1.00 0.00 C ATOM 627 C LYS A 41 -0.931 -4.563 4.751 1.00 0.00 C ATOM 628 O LYS A 41 -1.852 -5.154 4.220 1.00 0.00 O ATOM 629 CB LYS A 41 -0.608 -4.448 7.226 1.00 0.00 C ATOM 630 CG LYS A 41 -0.308 -5.337 8.434 1.00 0.00 C ATOM 631 CD LYS A 41 -1.289 -5.012 9.563 1.00 0.00 C ATOM 632 CE LYS A 41 -1.398 -6.210 10.506 1.00 0.00 C ATOM 633 NZ LYS A 41 -2.177 -5.823 11.715 1.00 0.00 N ATOM 0 H LYS A 41 1.726 -4.312 6.340 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.431 -6.228 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.074 -3.502 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.671 -4.212 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.392 -6.388 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.716 -5.178 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.950 -4.134 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.268 -4.771 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.885 -7.043 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.404 -6.550 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.251 -6.639 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.695 -5.041 12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.130 -5.519 11.431 1.00 0.00 H new ATOM 647 N ALA A 42 -0.536 -3.388 4.331 1.00 0.00 N ATOM 648 CA ALA A 42 -1.215 -2.734 3.174 1.00 0.00 C ATOM 649 C ALA A 42 -1.016 -3.584 1.918 1.00 0.00 C ATOM 650 O ALA A 42 -1.923 -3.757 1.127 1.00 0.00 O ATOM 651 CB ALA A 42 -0.613 -1.344 2.949 1.00 0.00 C ATOM 0 H ALA A 42 0.229 -2.853 4.741 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.280 -2.640 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.108 -0.865 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.754 -0.737 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.452 -1.439 2.739 1.00 0.00 H new ATOM 657 N ALA A 43 0.165 -4.115 1.732 1.00 0.00 N ATOM 658 CA ALA A 43 0.432 -4.958 0.529 1.00 0.00 C ATOM 659 C ALA A 43 -0.391 -6.249 0.604 1.00 0.00 C ATOM 660 O ALA A 43 -0.687 -6.861 -0.404 1.00 0.00 O ATOM 661 CB ALA A 43 1.920 -5.308 0.472 1.00 0.00 C ATOM 0 H ALA A 43 0.958 -4.001 2.363 1.00 0.00 H new ATOM 0 HA ALA A 43 0.151 -4.403 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.116 -5.923 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.507 -4.392 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.199 -5.859 1.370 1.00 0.00 H new ATOM 667 N SER A 44 -0.758 -6.669 1.791 1.00 0.00 N ATOM 668 CA SER A 44 -1.555 -7.923 1.932 1.00 0.00 C ATOM 669 C SER A 44 -3.021 -7.653 1.583 1.00 0.00 C ATOM 670 O SER A 44 -3.693 -8.492 1.011 1.00 0.00 O ATOM 671 CB SER A 44 -1.461 -8.424 3.374 1.00 0.00 C ATOM 672 OG SER A 44 -0.095 -8.610 3.718 1.00 0.00 O ATOM 0 H SER A 44 -0.539 -6.195 2.667 1.00 0.00 H new ATOM 0 HA SER A 44 -1.158 -8.678 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.924 -7.707 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.006 -9.362 3.482 1.00 0.00 H new ATOM 0 HG SER A 44 0.225 -7.832 4.220 1.00 0.00 H new ATOM 678 N VAL A 45 -3.525 -6.495 1.929 1.00 0.00 N ATOM 679 CA VAL A 45 -4.954 -6.174 1.624 1.00 0.00 C ATOM 680 C VAL A 45 -5.060 -5.509 0.245 1.00 0.00 C ATOM 681 O VAL A 45 -5.922 -5.844 -0.542 1.00 0.00 O ATOM 682 CB VAL A 45 -5.525 -5.243 2.710 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.775 -3.905 2.724 1.00 0.00 C ATOM 684 CG2 VAL A 45 -7.009 -4.983 2.434 1.00 0.00 C ATOM 0 H VAL A 45 -3.009 -5.758 2.409 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.532 -7.098 1.612 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.404 -5.727 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.193 -3.261 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.719 -4.082 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.879 -3.420 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.412 -4.324 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.120 -4.512 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.552 -5.928 2.445 1.00 0.00 H new ATOM 694 N ILE A 46 -4.198 -4.568 -0.044 1.00 0.00 N ATOM 695 CA ILE A 46 -4.253 -3.874 -1.365 1.00 0.00 C ATOM 696 C ILE A 46 -3.904 -4.862 -2.484 1.00 0.00 C ATOM 697 O ILE A 46 -4.667 -5.050 -3.412 1.00 0.00 O ATOM 698 CB ILE A 46 -3.259 -2.707 -1.369 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.575 -1.764 -0.204 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.377 -1.935 -2.688 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.501 -0.677 -0.117 1.00 0.00 C ATOM 0 H ILE A 46 -3.457 -4.250 0.580 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.259 -3.490 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.246 -3.096 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.556 -1.310 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.616 -2.325 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.670 -1.106 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.155 -2.602 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.390 -1.547 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.728 -0.007 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.528 -1.140 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.482 -0.109 -1.047 1.00 0.00 H new ATOM 713 N ALA A 47 -2.758 -5.488 -2.401 1.00 0.00 N ATOM 714 CA ALA A 47 -2.352 -6.463 -3.458 1.00 0.00 C ATOM 715 C ALA A 47 -3.367 -7.612 -3.541 1.00 0.00 C ATOM 716 O ALA A 47 -3.443 -8.303 -4.539 1.00 0.00 O ATOM 717 CB ALA A 47 -0.973 -7.032 -3.123 1.00 0.00 C ATOM 0 H ALA A 47 -2.084 -5.366 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.318 -5.948 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.676 -7.743 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.246 -6.221 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.013 -7.538 -2.158 1.00 0.00 H new ATOM 723 N LYS A 48 -4.142 -7.822 -2.504 1.00 0.00 N ATOM 724 CA LYS A 48 -5.146 -8.928 -2.528 1.00 0.00 C ATOM 725 C LYS A 48 -6.559 -8.342 -2.436 1.00 0.00 C ATOM 726 O LYS A 48 -7.476 -8.987 -1.963 1.00 0.00 O ATOM 727 CB LYS A 48 -4.897 -9.857 -1.335 1.00 0.00 C ATOM 728 CG LYS A 48 -4.987 -11.319 -1.784 1.00 0.00 C ATOM 729 CD LYS A 48 -6.413 -11.631 -2.246 1.00 0.00 C ATOM 730 CE LYS A 48 -7.346 -11.673 -1.034 1.00 0.00 C ATOM 731 NZ LYS A 48 -8.732 -11.986 -1.485 1.00 0.00 N ATOM 0 H LYS A 48 -4.121 -7.275 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.051 -9.490 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.914 -9.659 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.630 -9.662 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.283 -11.504 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.708 -11.979 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.751 -10.873 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.436 -12.587 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.004 -12.426 -0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.329 -10.715 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.367 -12.015 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.056 -11.252 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.742 -12.910 -1.962 1.00 0.00 H new ATOM 745 N TYR A 49 -6.737 -7.125 -2.880 1.00 0.00 N ATOM 746 CA TYR A 49 -8.086 -6.491 -2.817 1.00 0.00 C ATOM 747 C TYR A 49 -8.867 -6.834 -4.100 1.00 0.00 C ATOM 748 O TYR A 49 -8.300 -6.807 -5.175 1.00 0.00 O ATOM 749 CB TYR A 49 -7.919 -4.968 -2.702 1.00 0.00 C ATOM 750 CG TYR A 49 -9.119 -4.341 -2.017 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.660 -4.913 -0.855 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.685 -3.174 -2.544 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.762 -4.321 -0.228 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.789 -2.582 -1.915 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.326 -3.155 -0.758 1.00 0.00 C ATOM 756 OH TYR A 49 -12.413 -2.571 -0.139 1.00 0.00 O ATOM 0 H TYR A 49 -6.004 -6.542 -3.284 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.634 -6.863 -1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.014 -4.739 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.795 -4.536 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.225 -5.812 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.270 -2.729 -3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.177 -4.764 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.225 -1.683 -2.324 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.680 -1.769 -0.635 1.00 0.00 H new ATOM 766 N PRO A 50 -10.145 -7.151 -3.969 1.00 0.00 N ATOM 767 CA PRO A 50 -11.022 -7.509 -5.129 1.00 0.00 C ATOM 768 C PRO A 50 -11.635 -6.260 -5.771 1.00 0.00 C ATOM 769 O PRO A 50 -12.545 -6.361 -6.573 1.00 0.00 O ATOM 770 CB PRO A 50 -12.114 -8.361 -4.496 1.00 0.00 C ATOM 771 CG PRO A 50 -12.190 -7.984 -3.028 1.00 0.00 C ATOM 772 CD PRO A 50 -10.920 -7.205 -2.676 1.00 0.00 C ATOM 0 HA PRO A 50 -10.475 -8.018 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.071 -8.186 -4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.887 -9.421 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.075 -7.378 -2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.274 -8.877 -2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.155 -6.205 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.351 -7.705 -1.892 1.00 0.00 H new ATOM 780 N HIS A 51 -11.161 -5.085 -5.426 1.00 0.00 N ATOM 781 CA HIS A 51 -11.747 -3.846 -6.023 1.00 0.00 C ATOM 782 C HIS A 51 -10.663 -2.776 -6.160 1.00 0.00 C ATOM 783 O HIS A 51 -9.569 -2.922 -5.648 1.00 0.00 O ATOM 784 CB HIS A 51 -12.881 -3.328 -5.125 1.00 0.00 C ATOM 785 CG HIS A 51 -13.799 -4.468 -4.767 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.661 -5.042 -5.689 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.971 -5.176 -3.603 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.303 -6.050 -5.071 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.921 -6.174 -3.798 1.00 0.00 N ATOM 0 H HIS A 51 -10.401 -4.933 -4.763 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.148 -4.076 -7.010 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.468 -2.882 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.439 -2.546 -5.640 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.448 -4.987 -2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.038 -6.682 -5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.254 -6.854 -3.115 1.00 0.00 H new ATOM 797 N LYS A 52 -10.960 -1.706 -6.852 1.00 0.00 N ATOM 798 CA LYS A 52 -9.952 -0.622 -7.034 1.00 0.00 C ATOM 799 C LYS A 52 -10.315 0.572 -6.150 1.00 0.00 C ATOM 800 O LYS A 52 -11.472 0.916 -6.001 1.00 0.00 O ATOM 801 CB LYS A 52 -9.929 -0.185 -8.501 1.00 0.00 C ATOM 802 CG LYS A 52 -11.343 0.198 -8.945 1.00 0.00 C ATOM 803 CD LYS A 52 -11.281 0.887 -10.309 1.00 0.00 C ATOM 804 CE LYS A 52 -12.621 0.720 -11.026 1.00 0.00 C ATOM 805 NZ LYS A 52 -13.707 1.312 -10.196 1.00 0.00 N ATOM 0 H LYS A 52 -11.861 -1.537 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.967 -0.994 -6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.255 0.662 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.547 -0.993 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.971 -0.691 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.799 0.862 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.053 1.945 -10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.479 0.457 -10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.587 1.207 -12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.820 -0.337 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.557 1.446 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.928 0.673 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.396 2.231 -9.822 1.00 0.00 H new ATOM 819 N ILE A 53 -9.329 1.205 -5.567 1.00 0.00 N ATOM 820 CA ILE A 53 -9.602 2.383 -4.691 1.00 0.00 C ATOM 821 C ILE A 53 -9.397 3.668 -5.495 1.00 0.00 C ATOM 822 O ILE A 53 -8.661 3.693 -6.463 1.00 0.00 O ATOM 823 CB ILE A 53 -8.648 2.370 -3.495 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.205 2.246 -3.991 1.00 0.00 C ATOM 825 CG2 ILE A 53 -8.977 1.179 -2.592 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.245 2.659 -2.874 1.00 0.00 C ATOM 0 H ILE A 53 -8.344 0.956 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.629 2.336 -4.330 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.761 3.297 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.002 1.220 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.054 2.878 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.297 1.170 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.004 1.265 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.865 0.253 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.217 2.571 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.443 3.692 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.390 2.009 -2.011 1.00 0.00 H new ATOM 838 N LYS A 54 -10.046 4.734 -5.099 1.00 0.00 N ATOM 839 CA LYS A 54 -9.897 6.023 -5.838 1.00 0.00 C ATOM 840 C LYS A 54 -9.224 7.062 -4.938 1.00 0.00 C ATOM 841 O LYS A 54 -8.532 7.945 -5.410 1.00 0.00 O ATOM 842 CB LYS A 54 -11.278 6.531 -6.257 1.00 0.00 C ATOM 843 CG LYS A 54 -11.134 7.469 -7.457 1.00 0.00 C ATOM 844 CD LYS A 54 -10.816 6.651 -8.710 1.00 0.00 C ATOM 845 CE LYS A 54 -12.116 6.313 -9.444 1.00 0.00 C ATOM 846 NZ LYS A 54 -11.829 6.101 -10.890 1.00 0.00 N ATOM 0 H LYS A 54 -10.673 4.766 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.282 5.861 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.924 5.691 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.752 7.055 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.055 8.034 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.341 8.194 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.152 7.214 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.292 5.735 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.565 5.417 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.837 7.121 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.712 5.871 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.419 6.967 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.156 5.316 -10.999 1.00 0.00 H new ATOM 860 N SER A 55 -9.424 6.968 -3.646 1.00 0.00 N ATOM 861 CA SER A 55 -8.800 7.954 -2.715 1.00 0.00 C ATOM 862 C SER A 55 -8.116 7.213 -1.565 1.00 0.00 C ATOM 863 O SER A 55 -8.345 6.038 -1.347 1.00 0.00 O ATOM 864 CB SER A 55 -9.880 8.879 -2.154 1.00 0.00 C ATOM 865 OG SER A 55 -9.321 10.166 -1.924 1.00 0.00 O ATOM 0 H SER A 55 -9.993 6.250 -3.198 1.00 0.00 H new ATOM 0 HA SER A 55 -8.060 8.544 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.713 8.951 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.278 8.471 -1.225 1.00 0.00 H new ATOM 0 HG SER A 55 -10.011 10.763 -1.566 1.00 0.00 H new ATOM 871 N GLY A 56 -7.278 7.896 -0.826 1.00 0.00 N ATOM 872 CA GLY A 56 -6.571 7.246 0.317 1.00 0.00 C ATOM 873 C GLY A 56 -7.590 6.738 1.342 1.00 0.00 C ATOM 874 O GLY A 56 -7.325 5.807 2.080 1.00 0.00 O ATOM 0 H GLY A 56 -7.053 8.881 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.963 6.417 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.893 7.958 0.788 1.00 0.00 H new ATOM 878 N ALA A 57 -8.753 7.342 1.395 1.00 0.00 N ATOM 879 CA ALA A 57 -9.794 6.898 2.371 1.00 0.00 C ATOM 880 C ALA A 57 -10.161 5.435 2.100 1.00 0.00 C ATOM 881 O ALA A 57 -10.359 4.658 3.014 1.00 0.00 O ATOM 882 CB ALA A 57 -11.041 7.772 2.221 1.00 0.00 C ATOM 0 H ALA A 57 -9.025 8.126 0.802 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.403 6.992 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.800 7.448 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.782 8.813 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.431 7.679 1.207 1.00 0.00 H new ATOM 888 N GLU A 58 -10.245 5.061 0.849 1.00 0.00 N ATOM 889 CA GLU A 58 -10.593 3.651 0.505 1.00 0.00 C ATOM 890 C GLU A 58 -9.499 2.702 1.016 1.00 0.00 C ATOM 891 O GLU A 58 -9.720 1.513 1.154 1.00 0.00 O ATOM 892 CB GLU A 58 -10.717 3.514 -1.014 1.00 0.00 C ATOM 893 CG GLU A 58 -12.054 4.099 -1.472 1.00 0.00 C ATOM 894 CD GLU A 58 -12.552 3.334 -2.700 1.00 0.00 C ATOM 895 OE1 GLU A 58 -12.360 2.130 -2.742 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.115 3.965 -3.579 1.00 0.00 O ATOM 0 H GLU A 58 -10.087 5.674 0.049 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.541 3.391 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.894 4.033 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.649 2.465 -1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.787 4.033 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.938 5.156 -1.711 1.00 0.00 H new ATOM 903 N ALA A 59 -8.322 3.213 1.292 1.00 0.00 N ATOM 904 CA ALA A 59 -7.220 2.339 1.790 1.00 0.00 C ATOM 905 C ALA A 59 -7.270 2.260 3.320 1.00 0.00 C ATOM 906 O ALA A 59 -6.823 1.294 3.911 1.00 0.00 O ATOM 907 CB ALA A 59 -5.873 2.922 1.355 1.00 0.00 C ATOM 0 H ALA A 59 -8.080 4.199 1.193 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.339 1.338 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.067 2.285 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.833 2.973 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.759 3.923 1.770 1.00 0.00 H new ATOM 913 N LYS A 60 -7.807 3.267 3.963 1.00 0.00 N ATOM 914 CA LYS A 60 -7.885 3.254 5.454 1.00 0.00 C ATOM 915 C LYS A 60 -8.981 2.284 5.904 1.00 0.00 C ATOM 916 O LYS A 60 -8.832 1.581 6.886 1.00 0.00 O ATOM 917 CB LYS A 60 -8.214 4.661 5.959 1.00 0.00 C ATOM 918 CG LYS A 60 -7.680 4.832 7.383 1.00 0.00 C ATOM 919 CD LYS A 60 -8.791 4.511 8.386 1.00 0.00 C ATOM 920 CE LYS A 60 -9.619 5.769 8.650 1.00 0.00 C ATOM 921 NZ LYS A 60 -10.661 5.472 9.674 1.00 0.00 N ATOM 0 H LYS A 60 -8.195 4.098 3.518 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.927 2.933 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.770 5.408 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.292 4.822 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.827 4.172 7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.326 5.852 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.429 3.718 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.360 4.144 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.973 6.576 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.088 6.109 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.225 6.327 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.283 4.714 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.203 5.167 10.557 1.00 0.00 H new ATOM 935 N LYS A 61 -10.079 2.242 5.192 1.00 0.00 N ATOM 936 CA LYS A 61 -11.193 1.320 5.571 1.00 0.00 C ATOM 937 C LYS A 61 -10.704 -0.133 5.540 1.00 0.00 C ATOM 938 O LYS A 61 -11.231 -0.987 6.227 1.00 0.00 O ATOM 939 CB LYS A 61 -12.353 1.488 4.581 1.00 0.00 C ATOM 940 CG LYS A 61 -11.869 1.190 3.157 1.00 0.00 C ATOM 941 CD LYS A 61 -13.026 1.374 2.174 1.00 0.00 C ATOM 942 CE LYS A 61 -13.712 0.026 1.934 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.137 0.254 1.562 1.00 0.00 N ATOM 0 H LYS A 61 -10.252 2.809 4.362 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.531 1.563 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.169 0.816 4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.746 2.503 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.046 1.855 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.486 0.171 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.743 2.093 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.656 1.779 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.200 -0.519 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.653 -0.589 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.604 -0.661 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.621 0.757 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.182 0.825 0.694 1.00 0.00 H new ATOM 957 N LEU A 62 -9.704 -0.416 4.741 1.00 0.00 N ATOM 958 CA LEU A 62 -9.181 -1.810 4.650 1.00 0.00 C ATOM 959 C LEU A 62 -8.674 -2.263 6.035 1.00 0.00 C ATOM 960 O LEU A 62 -8.084 -1.475 6.750 1.00 0.00 O ATOM 961 CB LEU A 62 -8.022 -1.856 3.648 1.00 0.00 C ATOM 962 CG LEU A 62 -8.493 -1.365 2.275 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.280 -1.148 1.369 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.419 -2.408 1.642 1.00 0.00 C ATOM 0 H LEU A 62 -9.228 0.263 4.147 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.979 -2.474 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.200 -1.235 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.641 -2.874 3.568 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.034 -0.427 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.614 -0.799 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.621 -0.403 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.740 -2.087 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.752 -2.055 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.881 -3.348 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.285 -2.564 2.286 1.00 0.00 H new ATOM 976 N PRO A 63 -8.909 -3.517 6.383 1.00 0.00 N ATOM 977 CA PRO A 63 -8.475 -4.093 7.697 1.00 0.00 C ATOM 978 C PRO A 63 -6.993 -4.467 7.644 1.00 0.00 C ATOM 979 O PRO A 63 -6.595 -5.366 6.928 1.00 0.00 O ATOM 980 CB PRO A 63 -9.348 -5.328 7.858 1.00 0.00 C ATOM 981 CG PRO A 63 -9.780 -5.755 6.469 1.00 0.00 C ATOM 982 CD PRO A 63 -9.623 -4.548 5.543 1.00 0.00 C ATOM 0 HA PRO A 63 -8.584 -3.398 8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.796 -6.128 8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.215 -5.108 8.480 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.171 -6.588 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.815 -6.098 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.047 -4.803 4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.591 -4.181 5.202 1.00 0.00 H new ATOM 990 N GLY A 64 -6.177 -3.772 8.393 1.00 0.00 N ATOM 991 CA GLY A 64 -4.716 -4.067 8.391 1.00 0.00 C ATOM 992 C GLY A 64 -3.936 -2.796 8.034 1.00 0.00 C ATOM 993 O GLY A 64 -2.769 -2.668 8.357 1.00 0.00 O ATOM 0 H GLY A 64 -6.462 -3.010 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.407 -4.433 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.495 -4.856 7.672 1.00 0.00 H new ATOM 997 N VAL A 65 -4.569 -1.856 7.370 1.00 0.00 N ATOM 998 CA VAL A 65 -3.861 -0.597 6.993 1.00 0.00 C ATOM 999 C VAL A 65 -4.017 0.429 8.117 1.00 0.00 C ATOM 1000 O VAL A 65 -5.084 0.590 8.678 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.466 -0.033 5.707 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.626 1.151 5.223 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.480 -1.119 4.628 1.00 0.00 C ATOM 0 H VAL A 65 -5.544 -1.909 7.075 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.804 -0.810 6.834 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.486 0.299 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.058 1.553 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.615 1.926 5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.606 0.818 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.911 -0.716 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.460 -1.452 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.078 -1.964 4.970 1.00 0.00 H new ATOM 1013 N GLY A 66 -2.957 1.121 8.447 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.029 2.141 9.534 1.00 0.00 C ATOM 1015 C GLY A 66 -3.260 3.524 8.924 1.00 0.00 C ATOM 1016 O GLY A 66 -3.924 3.661 7.913 1.00 0.00 O ATOM 0 H GLY A 66 -2.041 1.023 8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.837 1.897 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.105 2.137 10.112 1.00 0.00 H new ATOM 1020 N THR A 67 -2.715 4.547 9.531 1.00 0.00 N ATOM 1021 CA THR A 67 -2.898 5.926 8.993 1.00 0.00 C ATOM 1022 C THR A 67 -1.650 6.339 8.209 1.00 0.00 C ATOM 1023 O THR A 67 -1.728 7.107 7.268 1.00 0.00 O ATOM 1024 CB THR A 67 -3.125 6.904 10.150 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.126 8.235 9.649 1.00 0.00 O ATOM 1026 CG2 THR A 67 -2.010 6.751 11.186 1.00 0.00 C ATOM 0 H THR A 67 -2.150 4.485 10.378 1.00 0.00 H new ATOM 0 HA THR A 67 -3.764 5.944 8.331 1.00 0.00 H new ATOM 0 HB THR A 67 -4.084 6.688 10.621 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.273 8.862 10.387 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.177 7.449 12.006 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.009 5.732 11.572 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.048 6.963 10.719 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.503 5.837 8.590 1.00 0.00 N ATOM 1035 CA LYS A 68 0.753 6.202 7.870 1.00 0.00 C ATOM 1036 C LYS A 68 0.741 5.581 6.468 1.00 0.00 C ATOM 1037 O LYS A 68 1.066 6.233 5.493 1.00 0.00 O ATOM 1038 CB LYS A 68 1.974 5.703 8.659 1.00 0.00 C ATOM 1039 CG LYS A 68 1.922 4.179 8.817 1.00 0.00 C ATOM 1040 CD LYS A 68 2.790 3.761 10.007 1.00 0.00 C ATOM 1041 CE LYS A 68 2.250 2.456 10.596 1.00 0.00 C ATOM 1042 NZ LYS A 68 2.813 2.260 11.962 1.00 0.00 N ATOM 0 H LYS A 68 -0.383 5.190 9.369 1.00 0.00 H new ATOM 0 HA LYS A 68 0.814 7.287 7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.890 5.990 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.999 6.176 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.893 3.853 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.277 3.696 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.824 3.629 9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.788 4.544 10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.161 2.487 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.519 1.616 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.447 1.373 12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.850 2.213 11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.535 3.057 12.570 1.00 0.00 H new ATOM 1056 N ILE A 69 0.372 4.327 6.360 1.00 0.00 N ATOM 1057 CA ILE A 69 0.341 3.665 5.024 1.00 0.00 C ATOM 1058 C ILE A 69 -0.842 4.194 4.213 1.00 0.00 C ATOM 1059 O ILE A 69 -0.725 4.453 3.030 1.00 0.00 O ATOM 1060 CB ILE A 69 0.195 2.156 5.220 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.311 1.657 6.150 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.285 1.444 3.865 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.690 1.912 5.524 1.00 0.00 C ATOM 0 H ILE A 69 0.091 3.735 7.142 1.00 0.00 H new ATOM 0 HA ILE A 69 1.265 3.880 4.487 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.775 1.938 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.243 2.164 7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.184 0.591 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.180 0.369 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.512 1.801 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.251 1.655 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.468 1.552 6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.761 1.385 4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.822 2.981 5.357 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.981 4.353 4.840 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.181 4.866 4.112 1.00 0.00 C ATOM 1077 C ALA A 70 -2.873 6.244 3.518 1.00 0.00 C ATOM 1078 O ALA A 70 -3.227 6.537 2.391 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.358 4.977 5.081 1.00 0.00 C ATOM 0 H ALA A 70 -2.131 4.149 5.828 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.438 4.176 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.233 5.351 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.580 3.995 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.102 5.664 5.887 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.211 7.088 4.270 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.868 8.444 3.763 1.00 0.00 C ATOM 1087 C GLU A 71 -0.969 8.315 2.530 1.00 0.00 C ATOM 1088 O GLU A 71 -1.070 9.086 1.593 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.131 9.226 4.853 1.00 0.00 C ATOM 1090 CG GLU A 71 -2.146 9.853 5.809 1.00 0.00 C ATOM 1091 CD GLU A 71 -1.580 11.157 6.374 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -0.665 11.083 7.176 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -2.071 12.207 5.994 1.00 0.00 O ATOM 0 H GLU A 71 -1.893 6.891 5.219 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.782 8.973 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.462 8.563 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.512 10.002 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.082 10.048 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.372 9.161 6.620 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.095 7.341 2.527 1.00 0.00 N ATOM 1101 CA LYS A 72 0.814 7.145 1.360 1.00 0.00 C ATOM 1102 C LYS A 72 -0.014 6.781 0.126 1.00 0.00 C ATOM 1103 O LYS A 72 0.341 7.114 -0.989 1.00 0.00 O ATOM 1104 CB LYS A 72 1.799 6.014 1.665 1.00 0.00 C ATOM 1105 CG LYS A 72 3.070 6.205 0.837 1.00 0.00 C ATOM 1106 CD LYS A 72 3.712 4.843 0.563 1.00 0.00 C ATOM 1107 CE LYS A 72 3.243 4.322 -0.797 1.00 0.00 C ATOM 1108 NZ LYS A 72 4.243 3.354 -1.330 1.00 0.00 N ATOM 0 H LYS A 72 0.028 6.671 3.286 1.00 0.00 H new ATOM 0 HA LYS A 72 1.366 8.066 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.042 6.007 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.344 5.050 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.833 6.702 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.770 6.848 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.798 4.932 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.441 4.137 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.271 3.839 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.118 5.152 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.223 3.372 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.192 3.617 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.012 2.397 -0.996 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.118 6.105 0.320 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.980 5.719 -0.835 1.00 0.00 C ATOM 1124 C ILE A 73 -2.516 6.986 -1.507 1.00 0.00 C ATOM 1125 O ILE A 73 -2.489 7.116 -2.715 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.152 4.863 -0.338 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.617 3.642 0.432 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.993 4.391 -1.529 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.725 2.785 -0.476 1.00 0.00 C ATOM 0 H ILE A 73 -1.459 5.803 1.233 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.396 5.144 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.774 5.463 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.050 3.973 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.450 3.045 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.824 3.784 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.382 5.256 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.373 3.797 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.355 1.926 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.304 2.438 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.882 3.381 -0.825 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.993 7.927 -0.729 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.528 9.200 -1.308 1.00 0.00 C ATOM 1143 C ASP A 74 -2.456 9.861 -2.180 1.00 0.00 C ATOM 1144 O ASP A 74 -2.742 10.383 -3.240 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.922 10.150 -0.175 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.146 10.966 -0.593 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.122 11.516 -1.683 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.085 11.028 0.182 1.00 0.00 O ATOM 0 H ASP A 74 -3.035 7.868 0.288 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.403 8.979 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.142 9.582 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.092 10.816 0.061 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.221 9.824 -1.744 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.120 10.432 -2.548 1.00 0.00 C ATOM 1155 C GLU A 75 0.015 9.663 -3.864 1.00 0.00 C ATOM 1156 O GLU A 75 0.390 10.214 -4.881 1.00 0.00 O ATOM 1157 CB GLU A 75 1.193 10.344 -1.767 1.00 0.00 C ATOM 1158 CG GLU A 75 1.131 11.273 -0.553 1.00 0.00 C ATOM 1159 CD GLU A 75 2.547 11.694 -0.159 1.00 0.00 C ATOM 1160 OE1 GLU A 75 3.210 12.311 -0.976 1.00 0.00 O ATOM 1161 OE2 GLU A 75 2.945 11.392 0.954 1.00 0.00 O ATOM 0 H GLU A 75 -0.929 9.398 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.346 11.479 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.368 9.318 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.029 10.623 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.530 12.152 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.646 10.767 0.281 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.299 8.393 -3.848 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.206 7.571 -5.089 1.00 0.00 C ATOM 1170 C PHE A 76 -1.268 8.037 -6.081 1.00 0.00 C ATOM 1171 O PHE A 76 -0.987 8.306 -7.234 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.462 6.098 -4.733 1.00 0.00 C ATOM 1173 CG PHE A 76 0.812 5.309 -4.874 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.879 5.550 -4.007 1.00 0.00 C ATOM 1175 CD2 PHE A 76 0.921 4.339 -5.874 1.00 0.00 C ATOM 1176 CE1 PHE A 76 3.065 4.817 -4.136 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.105 3.603 -6.006 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.177 3.843 -5.138 1.00 0.00 C ATOM 0 H PHE A 76 -0.618 7.888 -3.021 1.00 0.00 H new ATOM 0 HA PHE A 76 0.784 7.680 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.837 6.021 -3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.230 5.685 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.790 6.302 -3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.094 4.157 -6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.891 5.001 -3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.191 2.851 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.091 3.277 -5.240 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.489 8.115 -5.634 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.599 8.540 -6.527 1.00 0.00 C ATOM 1190 C LEU A 77 -3.515 10.049 -6.789 1.00 0.00 C ATOM 1191 O LEU A 77 -3.997 10.536 -7.795 1.00 0.00 O ATOM 1192 CB LEU A 77 -4.938 8.216 -5.851 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.239 6.706 -5.900 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.185 6.190 -7.341 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.220 5.947 -5.048 1.00 0.00 C ATOM 0 H LEU A 77 -2.767 7.900 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.521 8.009 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.915 8.551 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.740 8.765 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.242 6.541 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.400 5.122 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.925 6.716 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.191 6.364 -7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.437 4.880 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.217 6.127 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.279 6.293 -4.016 1.00 0.00 H new ATOM 1207 N ALA A 78 -2.912 10.793 -5.893 1.00 0.00 N ATOM 1208 CA ALA A 78 -2.803 12.270 -6.089 1.00 0.00 C ATOM 1209 C ALA A 78 -2.010 12.568 -7.369 1.00 0.00 C ATOM 1210 O ALA A 78 -2.581 12.861 -8.403 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.094 12.893 -4.882 1.00 0.00 C ATOM 0 H ALA A 78 -2.491 10.439 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.801 12.697 -6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.014 13.971 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.667 12.687 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.096 12.465 -4.785 1.00 0.00 H new ATOM 1217 N THR A 79 -0.703 12.498 -7.307 1.00 0.00 N ATOM 1218 CA THR A 79 0.127 12.777 -8.516 1.00 0.00 C ATOM 1219 C THR A 79 1.020 11.571 -8.813 1.00 0.00 C ATOM 1220 O THR A 79 1.057 11.076 -9.923 1.00 0.00 O ATOM 1221 CB THR A 79 0.999 14.009 -8.263 1.00 0.00 C ATOM 1222 OG1 THR A 79 1.927 13.724 -7.226 1.00 0.00 O ATOM 1223 CG2 THR A 79 0.115 15.187 -7.849 1.00 0.00 C ATOM 0 H THR A 79 -0.175 12.259 -6.468 1.00 0.00 H new ATOM 0 HA THR A 79 -0.526 12.963 -9.369 1.00 0.00 H new ATOM 0 HB THR A 79 1.538 14.266 -9.175 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.488 14.511 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.738 16.063 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.597 15.405 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.426 14.933 -6.937 1.00 0.00 H new