USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 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 37 ASN : amide:sc= -1.21 K(o=-1,f=-5.6!) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0.185 (180deg=-0.0158) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-4.3!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 24 ASN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Set 3.2: A 28 ASN : amide:sc= -1.5 K(o=-1.5,f=-4.4!) USER MOD Single : A 16 THR OG1 : rot -130:sc= -2.45! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0165) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.815 X(o=-0.81,f=-0.36) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.142 (180deg=-1.04) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 51 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-2.6) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0295) 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+ -173:sc= 0 (180deg=-0.0244) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.523 -2.929 -9.204 1.00 0.00 N ATOM 184 CA GLY A 13 -0.233 -3.657 -9.016 1.00 0.00 C ATOM 185 C GLY A 13 0.948 -2.672 -8.977 1.00 0.00 C ATOM 186 O GLY A 13 2.087 -3.083 -8.854 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.265 -4.230 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.091 -4.371 -9.828 1.00 0.00 H new ATOM 190 N GLY A 14 0.696 -1.386 -9.079 1.00 0.00 N ATOM 191 CA GLY A 14 1.816 -0.401 -9.045 1.00 0.00 C ATOM 192 C GLY A 14 2.059 0.024 -7.601 1.00 0.00 C ATOM 193 O GLY A 14 3.180 0.263 -7.190 1.00 0.00 O ATOM 0 H GLY A 14 -0.235 -0.982 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.720 -0.844 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.573 0.467 -9.657 1.00 0.00 H new ATOM 197 N ILE A 15 1.009 0.109 -6.829 1.00 0.00 N ATOM 198 CA ILE A 15 1.151 0.508 -5.404 1.00 0.00 C ATOM 199 C ILE A 15 1.783 -0.638 -4.625 1.00 0.00 C ATOM 200 O ILE A 15 2.824 -0.495 -4.016 1.00 0.00 O ATOM 201 CB ILE A 15 -0.226 0.784 -4.805 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.013 1.756 -5.686 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.065 1.380 -3.406 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.506 1.450 -5.548 1.00 0.00 C ATOM 0 H ILE A 15 0.053 -0.083 -7.129 1.00 0.00 H new ATOM 0 HA ILE A 15 1.771 1.402 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.775 -0.156 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.810 2.785 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.702 1.658 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.048 1.577 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.472 0.676 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.496 2.312 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.077 2.137 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.698 0.425 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.807 1.569 -4.507 1.00 0.00 H new ATOM 216 N THR A 16 1.138 -1.778 -4.632 1.00 0.00 N ATOM 217 CA THR A 16 1.663 -2.956 -3.883 1.00 0.00 C ATOM 218 C THR A 16 3.117 -3.238 -4.284 1.00 0.00 C ATOM 219 O THR A 16 3.908 -3.708 -3.488 1.00 0.00 O ATOM 220 CB THR A 16 0.803 -4.182 -4.197 1.00 0.00 C ATOM 221 OG1 THR A 16 1.378 -5.329 -3.588 1.00 0.00 O ATOM 222 CG2 THR A 16 0.735 -4.386 -5.711 1.00 0.00 C ATOM 0 H THR A 16 0.263 -1.942 -5.130 1.00 0.00 H new ATOM 0 HA THR A 16 1.626 -2.741 -2.815 1.00 0.00 H new ATOM 0 HB THR A 16 -0.204 -4.029 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.453 -6.048 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.122 -5.260 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.294 -3.505 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.740 -4.539 -6.103 1.00 0.00 H new ATOM 230 N ASP A 17 3.469 -2.950 -5.510 1.00 0.00 N ATOM 231 CA ASP A 17 4.866 -3.195 -5.972 1.00 0.00 C ATOM 232 C ASP A 17 5.826 -2.273 -5.215 1.00 0.00 C ATOM 233 O ASP A 17 6.977 -2.607 -5.000 1.00 0.00 O ATOM 234 CB ASP A 17 4.964 -2.911 -7.472 1.00 0.00 C ATOM 235 CG ASP A 17 6.323 -3.380 -7.994 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.527 -4.581 -8.061 1.00 0.00 O ATOM 237 OD2 ASP A 17 7.137 -2.531 -8.318 1.00 0.00 O ATOM 0 H ASP A 17 2.846 -2.554 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 17 5.134 -4.234 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.162 -3.424 -8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.839 -1.845 -7.660 1.00 0.00 H new ATOM 242 N MET A 18 5.360 -1.118 -4.809 1.00 0.00 N ATOM 243 CA MET A 18 6.241 -0.170 -4.065 1.00 0.00 C ATOM 244 C MET A 18 6.135 -0.435 -2.559 1.00 0.00 C ATOM 245 O MET A 18 7.020 -0.083 -1.800 1.00 0.00 O ATOM 246 CB MET A 18 5.804 1.266 -4.360 1.00 0.00 C ATOM 247 CG MET A 18 6.435 1.731 -5.674 1.00 0.00 C ATOM 248 SD MET A 18 8.113 2.333 -5.357 1.00 0.00 S ATOM 249 CE MET A 18 8.094 3.693 -6.550 1.00 0.00 C ATOM 0 H MET A 18 4.406 -0.792 -4.962 1.00 0.00 H new ATOM 0 HA MET A 18 7.274 -0.313 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.717 1.320 -4.427 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.107 1.924 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.461 0.908 -6.389 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.832 2.522 -6.120 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.051 4.214 -6.523 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.924 3.297 -7.551 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.295 4.389 -6.295 1.00 0.00 H new ATOM 259 N LEU A 19 5.065 -1.055 -2.121 1.00 0.00 N ATOM 260 CA LEU A 19 4.906 -1.342 -0.669 1.00 0.00 C ATOM 261 C LEU A 19 5.543 -2.692 -0.363 1.00 0.00 C ATOM 262 O LEU A 19 6.099 -2.902 0.698 1.00 0.00 O ATOM 263 CB LEU A 19 3.417 -1.384 -0.316 1.00 0.00 C ATOM 264 CG LEU A 19 2.855 0.046 -0.269 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.993 0.308 -1.507 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.003 0.222 0.992 1.00 0.00 C ATOM 0 H LEU A 19 4.296 -1.373 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 19 5.390 -0.563 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.875 -1.974 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.276 -1.872 0.648 1.00 0.00 H new ATOM 0 HG LEU A 19 3.683 0.754 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.598 1.323 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.600 0.190 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.166 -0.402 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.605 1.236 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.178 -0.491 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.618 0.046 1.874 1.00 0.00 H new ATOM 278 N VAL A 20 5.467 -3.602 -1.294 1.00 0.00 N ATOM 279 CA VAL A 20 6.067 -4.947 -1.089 1.00 0.00 C ATOM 280 C VAL A 20 7.584 -4.853 -1.282 1.00 0.00 C ATOM 281 O VAL A 20 8.344 -5.550 -0.638 1.00 0.00 O ATOM 282 CB VAL A 20 5.468 -5.917 -2.111 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.039 -7.315 -1.894 1.00 0.00 C ATOM 284 CG2 VAL A 20 3.948 -5.962 -1.935 1.00 0.00 C ATOM 0 H VAL A 20 5.010 -3.468 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 20 5.856 -5.306 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 20 5.715 -5.577 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.609 -8.001 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.122 -7.288 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.794 -7.656 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.518 -6.652 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.708 -6.300 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.534 -4.966 -2.091 1.00 0.00 H new ATOM 294 N GLU A 21 8.025 -3.990 -2.163 1.00 0.00 N ATOM 295 CA GLU A 21 9.489 -3.839 -2.404 1.00 0.00 C ATOM 296 C GLU A 21 10.145 -3.211 -1.173 1.00 0.00 C ATOM 297 O GLU A 21 11.014 -3.801 -0.551 1.00 0.00 O ATOM 298 CB GLU A 21 9.718 -2.939 -3.620 1.00 0.00 C ATOM 299 CG GLU A 21 11.187 -3.010 -4.038 1.00 0.00 C ATOM 300 CD GLU A 21 11.376 -2.282 -5.370 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.798 -2.724 -6.350 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.094 -1.296 -5.389 1.00 0.00 O ATOM 0 H GLU A 21 7.430 -3.382 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 21 9.929 -4.819 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.079 -3.254 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.446 -1.911 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.816 -2.557 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.499 -4.050 -4.133 1.00 0.00 H new ATOM 309 N LEU A 22 9.735 -2.018 -0.808 1.00 0.00 N ATOM 310 CA LEU A 22 10.339 -1.358 0.386 1.00 0.00 C ATOM 311 C LEU A 22 10.065 -2.216 1.627 1.00 0.00 C ATOM 312 O LEU A 22 10.877 -2.295 2.527 1.00 0.00 O ATOM 313 CB LEU A 22 9.753 0.060 0.559 1.00 0.00 C ATOM 314 CG LEU A 22 8.283 0.000 1.004 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.213 -0.086 2.535 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.556 1.262 0.533 1.00 0.00 C ATOM 0 H LEU A 22 9.012 -1.479 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 22 11.417 -1.265 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.337 0.611 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.830 0.606 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 22 7.808 -0.879 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.170 -0.128 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.731 -0.984 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.688 0.793 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.513 1.220 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.032 2.140 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.604 1.325 -0.554 1.00 0.00 H new ATOM 328 N ALA A 23 8.919 -2.863 1.674 1.00 0.00 N ATOM 329 CA ALA A 23 8.570 -3.727 2.849 1.00 0.00 C ATOM 330 C ALA A 23 9.716 -4.700 3.131 1.00 0.00 C ATOM 331 O ALA A 23 10.092 -4.920 4.267 1.00 0.00 O ATOM 332 CB ALA A 23 7.298 -4.521 2.542 1.00 0.00 C ATOM 0 H ALA A 23 8.208 -2.828 0.943 1.00 0.00 H new ATOM 0 HA ALA A 23 8.405 -3.095 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.046 -5.148 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.478 -3.831 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.464 -5.149 1.667 1.00 0.00 H new ATOM 338 N ASN A 24 10.292 -5.260 2.095 1.00 0.00 N ATOM 339 CA ASN A 24 11.438 -6.194 2.286 1.00 0.00 C ATOM 340 C ASN A 24 12.594 -5.398 2.891 1.00 0.00 C ATOM 341 O ASN A 24 13.322 -5.879 3.736 1.00 0.00 O ATOM 342 CB ASN A 24 11.858 -6.777 0.932 1.00 0.00 C ATOM 343 CG ASN A 24 11.282 -8.186 0.778 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.867 -9.147 1.235 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.149 -8.349 0.149 1.00 0.00 N ATOM 0 H ASN A 24 10.015 -5.108 1.125 1.00 0.00 H new ATOM 0 HA ASN A 24 11.158 -7.016 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.503 -6.138 0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.945 -6.808 0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.755 -9.284 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.658 -7.542 -0.235 1.00 0.00 H new ATOM 352 N PHE A 25 12.743 -4.170 2.468 1.00 0.00 N ATOM 353 CA PHE A 25 13.828 -3.303 3.016 1.00 0.00 C ATOM 354 C PHE A 25 13.583 -3.052 4.506 1.00 0.00 C ATOM 355 O PHE A 25 14.502 -2.755 5.247 1.00 0.00 O ATOM 356 CB PHE A 25 13.825 -1.967 2.270 1.00 0.00 C ATOM 357 CG PHE A 25 15.046 -1.168 2.656 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.295 -1.494 2.115 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.927 -0.100 3.553 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.427 -0.753 2.473 1.00 0.00 C ATOM 361 CE2 PHE A 25 16.060 0.641 3.911 1.00 0.00 C ATOM 362 CZ PHE A 25 17.310 0.315 3.370 1.00 0.00 C ATOM 0 H PHE A 25 12.155 -3.727 1.761 1.00 0.00 H new ATOM 0 HA PHE A 25 14.791 -3.797 2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.817 -2.140 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.921 -1.407 2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.385 -2.317 1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.963 0.152 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.391 -1.005 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.970 1.464 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.183 0.888 3.645 1.00 0.00 H new ATOM 372 N GLU A 26 12.356 -3.169 4.953 1.00 0.00 N ATOM 373 CA GLU A 26 12.064 -2.934 6.401 1.00 0.00 C ATOM 374 C GLU A 26 12.529 -4.148 7.210 1.00 0.00 C ATOM 375 O GLU A 26 13.322 -4.027 8.123 1.00 0.00 O ATOM 376 CB GLU A 26 10.555 -2.728 6.623 1.00 0.00 C ATOM 377 CG GLU A 26 9.957 -1.804 5.550 1.00 0.00 C ATOM 378 CD GLU A 26 10.667 -0.445 5.555 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.871 -0.423 5.359 1.00 0.00 O ATOM 380 OE2 GLU A 26 9.991 0.552 5.748 1.00 0.00 O ATOM 0 H GLU A 26 11.548 -3.416 4.381 1.00 0.00 H new ATOM 0 HA GLU A 26 12.593 -2.038 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.047 -3.692 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.385 -2.300 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.053 -2.267 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.892 -1.665 5.734 1.00 0.00 H new ATOM 387 N LYS A 27 12.037 -5.315 6.879 1.00 0.00 N ATOM 388 CA LYS A 27 12.443 -6.545 7.624 1.00 0.00 C ATOM 389 C LYS A 27 13.904 -6.878 7.314 1.00 0.00 C ATOM 390 O LYS A 27 14.659 -7.260 8.189 1.00 0.00 O ATOM 391 CB LYS A 27 11.551 -7.715 7.200 1.00 0.00 C ATOM 392 CG LYS A 27 11.696 -8.858 8.207 1.00 0.00 C ATOM 393 CD LYS A 27 11.007 -10.110 7.661 1.00 0.00 C ATOM 394 CE LYS A 27 12.008 -10.931 6.848 1.00 0.00 C ATOM 395 NZ LYS A 27 12.859 -11.733 7.771 1.00 0.00 N ATOM 0 H LYS A 27 11.370 -5.469 6.123 1.00 0.00 H new ATOM 0 HA LYS A 27 12.333 -6.371 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.511 -7.393 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.830 -8.057 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.751 -9.062 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.254 -8.574 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.612 -10.708 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.160 -9.828 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.480 -11.590 6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.630 -10.271 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.753 -11.974 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.059 -11.179 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.360 -12.607 8.032 1.00 0.00 H new ATOM 409 N ASN A 28 14.312 -6.732 6.075 1.00 0.00 N ATOM 410 CA ASN A 28 15.731 -7.035 5.702 1.00 0.00 C ATOM 411 C ASN A 28 16.683 -6.179 6.546 1.00 0.00 C ATOM 412 O ASN A 28 17.823 -6.541 6.768 1.00 0.00 O ATOM 413 CB ASN A 28 15.950 -6.725 4.219 1.00 0.00 C ATOM 414 CG ASN A 28 15.255 -7.788 3.367 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.244 -8.334 3.761 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.758 -8.107 2.206 1.00 0.00 N ATOM 0 H ASN A 28 13.722 -6.416 5.305 1.00 0.00 H new ATOM 0 HA ASN A 28 15.932 -8.090 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.555 -5.737 3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.016 -6.704 3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.302 -8.815 1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.607 -7.649 1.875 1.00 0.00 H new ATOM 423 N VAL A 29 16.217 -5.051 7.022 1.00 0.00 N ATOM 424 CA VAL A 29 17.078 -4.171 7.859 1.00 0.00 C ATOM 425 C VAL A 29 16.916 -4.591 9.328 1.00 0.00 C ATOM 426 O VAL A 29 16.000 -5.314 9.676 1.00 0.00 O ATOM 427 CB VAL A 29 16.649 -2.709 7.645 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.362 -1.782 8.638 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.019 -2.287 6.221 1.00 0.00 C ATOM 0 H VAL A 29 15.271 -4.703 6.864 1.00 0.00 H new ATOM 0 HA VAL A 29 18.128 -4.265 7.581 1.00 0.00 H new ATOM 0 HB VAL A 29 15.573 -2.632 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.044 -0.753 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.110 -2.077 9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.440 -1.856 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.719 -1.252 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.096 -2.379 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.505 -2.930 5.506 1.00 0.00 H new ATOM 439 N SER A 30 17.811 -4.164 10.182 1.00 0.00 N ATOM 440 CA SER A 30 17.731 -4.559 11.621 1.00 0.00 C ATOM 441 C SER A 30 16.644 -3.757 12.345 1.00 0.00 C ATOM 442 O SER A 30 15.623 -4.295 12.731 1.00 0.00 O ATOM 443 CB SER A 30 19.080 -4.296 12.291 1.00 0.00 C ATOM 444 OG SER A 30 19.003 -4.662 13.662 1.00 0.00 O ATOM 0 H SER A 30 18.596 -3.557 9.944 1.00 0.00 H new ATOM 0 HA SER A 30 17.481 -5.618 11.679 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.864 -4.868 11.794 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.346 -3.243 12.198 1.00 0.00 H new ATOM 0 HG SER A 30 19.867 -4.496 14.094 1.00 0.00 H new ATOM 450 N GLN A 31 16.866 -2.484 12.553 1.00 0.00 N ATOM 451 CA GLN A 31 15.860 -1.651 13.276 1.00 0.00 C ATOM 452 C GLN A 31 14.792 -1.138 12.303 1.00 0.00 C ATOM 453 O GLN A 31 14.659 0.054 12.083 1.00 0.00 O ATOM 454 CB GLN A 31 16.569 -0.466 13.940 1.00 0.00 C ATOM 455 CG GLN A 31 17.122 -0.897 15.299 1.00 0.00 C ATOM 456 CD GLN A 31 15.966 -1.085 16.283 1.00 0.00 C ATOM 457 OE1 GLN A 31 15.520 -0.139 16.902 1.00 0.00 O ATOM 458 NE2 GLN A 31 15.459 -2.275 16.456 1.00 0.00 N ATOM 0 H GLN A 31 17.703 -1.985 12.252 1.00 0.00 H new ATOM 0 HA GLN A 31 15.372 -2.261 14.036 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.378 -0.110 13.303 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.873 0.364 14.065 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.682 -1.827 15.198 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.816 -0.146 15.676 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.833 -3.069 15.937 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.689 -2.411 17.111 1.00 0.00 H new ATOM 467 N ALA A 32 14.021 -2.027 11.725 1.00 0.00 N ATOM 468 CA ALA A 32 12.954 -1.589 10.778 1.00 0.00 C ATOM 469 C ALA A 32 11.794 -2.592 10.807 1.00 0.00 C ATOM 470 O ALA A 32 11.321 -3.041 9.779 1.00 0.00 O ATOM 471 CB ALA A 32 13.530 -1.500 9.364 1.00 0.00 C ATOM 0 H ALA A 32 14.086 -3.035 11.869 1.00 0.00 H new ATOM 0 HA ALA A 32 12.584 -0.608 11.077 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.750 -1.180 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.347 -0.778 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.904 -2.478 9.061 1.00 0.00 H new ATOM 477 N ILE A 33 11.333 -2.940 11.981 1.00 0.00 N ATOM 478 CA ILE A 33 10.201 -3.909 12.090 1.00 0.00 C ATOM 479 C ILE A 33 8.876 -3.140 12.265 1.00 0.00 C ATOM 480 O ILE A 33 7.818 -3.655 11.969 1.00 0.00 O ATOM 481 CB ILE A 33 10.500 -4.898 13.261 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.510 -6.340 12.727 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.477 -4.800 14.405 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.565 -6.487 11.627 1.00 0.00 C ATOM 0 H ILE A 33 11.692 -2.594 12.871 1.00 0.00 H new ATOM 0 HA ILE A 33 10.098 -4.501 11.180 1.00 0.00 H new ATOM 0 HB ILE A 33 11.474 -4.622 13.666 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.721 -7.035 13.539 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.526 -6.598 12.335 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.738 -5.511 15.189 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.485 -3.790 14.815 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.482 -5.029 14.024 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.563 -7.512 11.256 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.335 -5.805 10.809 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.549 -6.249 12.032 1.00 0.00 H new ATOM 496 N HIS A 34 8.930 -1.919 12.736 1.00 0.00 N ATOM 497 CA HIS A 34 7.667 -1.125 12.913 1.00 0.00 C ATOM 498 C HIS A 34 7.137 -0.733 11.532 1.00 0.00 C ATOM 499 O HIS A 34 5.987 -0.972 11.204 1.00 0.00 O ATOM 500 CB HIS A 34 7.901 0.149 13.760 1.00 0.00 C ATOM 501 CG HIS A 34 9.266 0.741 13.506 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.382 0.338 14.220 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.712 1.692 12.620 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.435 1.032 13.755 1.00 0.00 C ATOM 505 NE2 HIS A 34 11.083 1.873 12.779 1.00 0.00 N ATOM 0 H HIS A 34 9.787 -1.437 13.005 1.00 0.00 H new ATOM 0 HA HIS A 34 6.943 -1.743 13.444 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.134 0.888 13.527 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.800 -0.093 14.818 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.093 2.219 11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.443 0.923 14.126 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.688 2.510 12.262 1.00 0.00 H new ATOM 513 N LYS A 35 7.974 -0.150 10.713 1.00 0.00 N ATOM 514 CA LYS A 35 7.536 0.243 9.339 1.00 0.00 C ATOM 515 C LYS A 35 7.276 -1.020 8.509 1.00 0.00 C ATOM 516 O LYS A 35 6.530 -0.997 7.548 1.00 0.00 O ATOM 517 CB LYS A 35 8.617 1.098 8.655 1.00 0.00 C ATOM 518 CG LYS A 35 10.011 0.481 8.868 1.00 0.00 C ATOM 519 CD LYS A 35 10.863 1.406 9.751 1.00 0.00 C ATOM 520 CE LYS A 35 11.921 2.110 8.897 1.00 0.00 C ATOM 521 NZ LYS A 35 13.059 2.531 9.763 1.00 0.00 N ATOM 0 H LYS A 35 8.944 0.072 10.937 1.00 0.00 H new ATOM 0 HA LYS A 35 6.621 0.831 9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.407 1.175 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.596 2.111 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.917 -0.498 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.501 0.328 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.227 2.144 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.345 0.828 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.275 1.441 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.486 2.978 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.778 3.009 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.715 3.184 10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.479 1.694 10.215 1.00 0.00 H new ATOM 535 N TYR A 36 7.879 -2.127 8.878 1.00 0.00 N ATOM 536 CA TYR A 36 7.669 -3.403 8.127 1.00 0.00 C ATOM 537 C TYR A 36 6.171 -3.744 8.108 1.00 0.00 C ATOM 538 O TYR A 36 5.581 -3.929 7.059 1.00 0.00 O ATOM 539 CB TYR A 36 8.458 -4.518 8.830 1.00 0.00 C ATOM 540 CG TYR A 36 8.252 -5.843 8.131 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.417 -5.944 6.745 1.00 0.00 C ATOM 542 CD2 TYR A 36 7.897 -6.972 8.878 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.228 -7.174 6.106 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.708 -8.202 8.240 1.00 0.00 C ATOM 545 CZ TYR A 36 7.872 -8.304 6.853 1.00 0.00 C ATOM 546 OH TYR A 36 7.685 -9.518 6.223 1.00 0.00 O ATOM 0 H TYR A 36 8.512 -2.199 9.674 1.00 0.00 H new ATOM 0 HA TYR A 36 8.017 -3.301 7.099 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.519 -4.268 8.840 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.139 -4.596 9.869 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.690 -5.072 6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.769 -6.893 9.947 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.357 -7.252 5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.436 -9.073 8.817 1.00 0.00 H new ATOM 0 HH TYR A 36 7.443 -10.197 6.887 1.00 0.00 H new ATOM 556 N ASN A 37 5.557 -3.821 9.261 1.00 0.00 N ATOM 557 CA ASN A 37 4.099 -4.140 9.327 1.00 0.00 C ATOM 558 C ASN A 37 3.303 -3.059 8.587 1.00 0.00 C ATOM 559 O ASN A 37 2.229 -3.310 8.075 1.00 0.00 O ATOM 560 CB ASN A 37 3.654 -4.189 10.790 1.00 0.00 C ATOM 561 CG ASN A 37 2.563 -5.247 10.957 1.00 0.00 C ATOM 562 OD1 ASN A 37 1.388 -4.939 10.903 1.00 0.00 O ATOM 563 ND2 ASN A 37 2.901 -6.490 11.159 1.00 0.00 N ATOM 0 H ASN A 37 6.006 -3.676 10.165 1.00 0.00 H new ATOM 0 HA ASN A 37 3.918 -5.107 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.503 -4.423 11.432 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.280 -3.213 11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.180 -7.203 11.271 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.886 -6.750 11.204 1.00 0.00 H new ATOM 570 N ALA A 38 3.827 -1.858 8.524 1.00 0.00 N ATOM 571 CA ALA A 38 3.115 -0.749 7.813 1.00 0.00 C ATOM 572 C ALA A 38 2.817 -1.158 6.365 1.00 0.00 C ATOM 573 O ALA A 38 1.675 -1.264 5.960 1.00 0.00 O ATOM 574 CB ALA A 38 4.011 0.494 7.804 1.00 0.00 C ATOM 0 H ALA A 38 4.722 -1.597 8.937 1.00 0.00 H new ATOM 0 HA ALA A 38 2.178 -0.537 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.500 1.307 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.227 0.794 8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.944 0.266 7.288 1.00 0.00 H new ATOM 580 N TYR A 39 3.843 -1.379 5.590 1.00 0.00 N ATOM 581 CA TYR A 39 3.646 -1.768 4.164 1.00 0.00 C ATOM 582 C TYR A 39 3.278 -3.250 4.068 1.00 0.00 C ATOM 583 O TYR A 39 2.613 -3.670 3.140 1.00 0.00 O ATOM 584 CB TYR A 39 4.938 -1.503 3.388 1.00 0.00 C ATOM 585 CG TYR A 39 5.342 -0.057 3.567 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.123 0.321 4.667 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.934 0.904 2.637 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.493 1.661 4.838 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.306 2.243 2.805 1.00 0.00 C ATOM 590 CZ TYR A 39 6.085 2.622 3.905 1.00 0.00 C ATOM 591 OH TYR A 39 6.449 3.942 4.072 1.00 0.00 O ATOM 0 H TYR A 39 4.817 -1.306 5.885 1.00 0.00 H new ATOM 0 HA TYR A 39 2.834 -1.178 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.731 -2.161 3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.792 -1.723 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.440 -0.422 5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.332 0.613 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.092 1.953 5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.992 2.985 2.085 1.00 0.00 H new ATOM 0 HH TYR A 39 6.085 4.477 3.336 1.00 0.00 H new ATOM 601 N ARG A 40 3.703 -4.045 5.018 1.00 0.00 N ATOM 602 CA ARG A 40 3.377 -5.501 4.982 1.00 0.00 C ATOM 603 C ARG A 40 1.870 -5.688 5.175 1.00 0.00 C ATOM 604 O ARG A 40 1.273 -6.590 4.618 1.00 0.00 O ATOM 605 CB ARG A 40 4.130 -6.223 6.101 1.00 0.00 C ATOM 606 CG ARG A 40 3.973 -7.735 5.928 1.00 0.00 C ATOM 607 CD ARG A 40 4.881 -8.219 4.796 1.00 0.00 C ATOM 608 NE ARG A 40 4.356 -9.510 4.253 1.00 0.00 N ATOM 609 CZ ARG A 40 4.458 -10.635 4.933 1.00 0.00 C ATOM 610 NH1 ARG A 40 5.028 -10.674 6.116 1.00 0.00 N ATOM 611 NH2 ARG A 40 3.984 -11.735 4.418 1.00 0.00 N ATOM 0 H ARG A 40 4.262 -3.747 5.817 1.00 0.00 H new ATOM 0 HA ARG A 40 3.676 -5.917 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.185 -5.951 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.743 -5.915 7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.228 -8.246 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.935 -7.980 5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.924 -7.470 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.898 -8.354 5.164 1.00 0.00 H new ATOM 0 HE ARG A 40 3.909 -9.520 3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.404 -9.821 6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.094 -11.558 6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.541 -11.718 3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.056 -12.612 4.934 1.00 0.00 H new ATOM 625 N LYS A 41 1.252 -4.840 5.960 1.00 0.00 N ATOM 626 CA LYS A 41 -0.217 -4.961 6.195 1.00 0.00 C ATOM 627 C LYS A 41 -0.976 -4.339 5.021 1.00 0.00 C ATOM 628 O LYS A 41 -1.874 -4.941 4.464 1.00 0.00 O ATOM 629 CB LYS A 41 -0.590 -4.231 7.487 1.00 0.00 C ATOM 630 CG LYS A 41 -0.386 -5.168 8.679 1.00 0.00 C ATOM 631 CD LYS A 41 -1.500 -6.216 8.701 1.00 0.00 C ATOM 632 CE LYS A 41 -0.956 -7.529 9.267 1.00 0.00 C ATOM 633 NZ LYS A 41 -0.678 -7.365 10.722 1.00 0.00 N ATOM 0 H LYS A 41 1.705 -4.068 6.449 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.484 -6.014 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.024 -3.338 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.628 -3.900 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.586 -5.656 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.390 -4.598 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.333 -5.863 9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.885 -6.374 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.678 -8.331 9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.045 -7.814 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.308 -8.257 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.025 -6.611 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.557 -7.112 11.217 1.00 0.00 H new ATOM 647 N ALA A 42 -0.619 -3.137 4.642 1.00 0.00 N ATOM 648 CA ALA A 42 -1.315 -2.467 3.503 1.00 0.00 C ATOM 649 C ALA A 42 -1.095 -3.277 2.224 1.00 0.00 C ATOM 650 O ALA A 42 -2.031 -3.603 1.518 1.00 0.00 O ATOM 651 CB ALA A 42 -0.751 -1.057 3.316 1.00 0.00 C ATOM 0 H ALA A 42 0.126 -2.591 5.074 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.382 -2.405 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.260 -0.569 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.907 -0.479 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.316 -1.117 3.103 1.00 0.00 H new ATOM 657 N ALA A 43 0.135 -3.605 1.923 1.00 0.00 N ATOM 658 CA ALA A 43 0.426 -4.397 0.692 1.00 0.00 C ATOM 659 C ALA A 43 -0.268 -5.760 0.781 1.00 0.00 C ATOM 660 O ALA A 43 -0.605 -6.359 -0.222 1.00 0.00 O ATOM 661 CB ALA A 43 1.936 -4.604 0.564 1.00 0.00 C ATOM 0 H ALA A 43 0.953 -3.357 2.479 1.00 0.00 H new ATOM 0 HA ALA A 43 0.056 -3.858 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.149 -5.182 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.432 -3.635 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.305 -5.142 1.437 1.00 0.00 H new ATOM 667 N SER A 44 -0.481 -6.252 1.976 1.00 0.00 N ATOM 668 CA SER A 44 -1.149 -7.577 2.138 1.00 0.00 C ATOM 669 C SER A 44 -2.643 -7.447 1.832 1.00 0.00 C ATOM 670 O SER A 44 -3.265 -8.371 1.341 1.00 0.00 O ATOM 671 CB SER A 44 -0.966 -8.065 3.576 1.00 0.00 C ATOM 672 OG SER A 44 -1.734 -9.245 3.772 1.00 0.00 O ATOM 0 H SER A 44 -0.220 -5.791 2.848 1.00 0.00 H new ATOM 0 HA SER A 44 -0.702 -8.292 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.087 -8.266 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.280 -7.292 4.277 1.00 0.00 H new ATOM 0 HG SER A 44 -1.618 -9.562 4.692 1.00 0.00 H new ATOM 678 N VAL A 45 -3.226 -6.310 2.123 1.00 0.00 N ATOM 679 CA VAL A 45 -4.683 -6.121 1.855 1.00 0.00 C ATOM 680 C VAL A 45 -4.883 -5.557 0.441 1.00 0.00 C ATOM 681 O VAL A 45 -5.842 -5.888 -0.230 1.00 0.00 O ATOM 682 CB VAL A 45 -5.283 -5.168 2.902 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.598 -3.801 2.831 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.785 -4.995 2.649 1.00 0.00 C ATOM 0 H VAL A 45 -2.754 -5.505 2.535 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.192 -7.083 1.923 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.125 -5.596 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.033 -3.137 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.532 -3.918 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.741 -3.374 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.204 -4.319 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.941 -4.579 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.280 -5.964 2.719 1.00 0.00 H new ATOM 694 N ILE A 46 -3.990 -4.712 -0.012 1.00 0.00 N ATOM 695 CA ILE A 46 -4.133 -4.130 -1.382 1.00 0.00 C ATOM 696 C ILE A 46 -3.711 -5.170 -2.427 1.00 0.00 C ATOM 697 O ILE A 46 -4.411 -5.407 -3.393 1.00 0.00 O ATOM 698 CB ILE A 46 -3.249 -2.881 -1.506 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.642 -1.869 -0.424 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.446 -2.244 -2.886 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.676 -0.682 -0.452 1.00 0.00 C ATOM 0 H ILE A 46 -3.169 -4.401 0.507 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.173 -3.851 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.204 -3.166 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.663 -1.524 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.621 -2.344 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.817 -1.358 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.170 -2.960 -3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.491 -1.960 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.959 0.035 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.661 -1.034 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.719 -0.201 -1.429 1.00 0.00 H new ATOM 713 N ALA A 47 -2.573 -5.787 -2.238 1.00 0.00 N ATOM 714 CA ALA A 47 -2.097 -6.809 -3.217 1.00 0.00 C ATOM 715 C ALA A 47 -3.094 -7.973 -3.296 1.00 0.00 C ATOM 716 O ALA A 47 -3.103 -8.720 -4.257 1.00 0.00 O ATOM 717 CB ALA A 47 -0.732 -7.341 -2.775 1.00 0.00 C ATOM 0 H ALA A 47 -1.951 -5.626 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.013 -6.345 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.384 -8.087 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.018 -6.519 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.821 -7.796 -1.789 1.00 0.00 H new ATOM 723 N LYS A 48 -3.929 -8.138 -2.297 1.00 0.00 N ATOM 724 CA LYS A 48 -4.918 -9.256 -2.322 1.00 0.00 C ATOM 725 C LYS A 48 -6.339 -8.692 -2.215 1.00 0.00 C ATOM 726 O LYS A 48 -7.246 -9.360 -1.752 1.00 0.00 O ATOM 727 CB LYS A 48 -4.651 -10.194 -1.141 1.00 0.00 C ATOM 728 CG LYS A 48 -4.832 -11.649 -1.584 1.00 0.00 C ATOM 729 CD LYS A 48 -6.316 -11.934 -1.819 1.00 0.00 C ATOM 730 CE LYS A 48 -6.508 -13.417 -2.140 1.00 0.00 C ATOM 731 NZ LYS A 48 -5.971 -14.241 -1.022 1.00 0.00 N ATOM 0 H LYS A 48 -3.966 -7.546 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.819 -9.806 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.639 -10.042 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.333 -9.966 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.267 -11.834 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.438 -12.323 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.893 -11.665 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.689 -11.322 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.566 -13.634 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.996 -13.668 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.460 -15.158 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.952 -14.395 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.125 -13.746 -0.121 1.00 0.00 H new ATOM 745 N TYR A 49 -6.537 -7.471 -2.638 1.00 0.00 N ATOM 746 CA TYR A 49 -7.896 -6.859 -2.564 1.00 0.00 C ATOM 747 C TYR A 49 -8.710 -7.293 -3.795 1.00 0.00 C ATOM 748 O TYR A 49 -8.151 -7.447 -4.863 1.00 0.00 O ATOM 749 CB TYR A 49 -7.756 -5.328 -2.543 1.00 0.00 C ATOM 750 CG TYR A 49 -8.920 -4.692 -1.807 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.335 -5.192 -0.566 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.576 -3.588 -2.368 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.405 -4.595 0.110 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.645 -2.990 -1.689 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.059 -3.494 -0.451 1.00 0.00 C ATOM 756 OH TYR A 49 -12.113 -2.903 0.217 1.00 0.00 O ATOM 0 H TYR A 49 -5.814 -6.870 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.407 -7.187 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.819 -5.050 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.714 -4.948 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.828 -6.040 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.257 -3.198 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.726 -4.985 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.150 -2.139 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.454 -2.151 -0.310 1.00 0.00 H new ATOM 766 N PRO A 50 -10.007 -7.479 -3.627 1.00 0.00 N ATOM 767 CA PRO A 50 -10.921 -7.900 -4.734 1.00 0.00 C ATOM 768 C PRO A 50 -11.404 -6.687 -5.539 1.00 0.00 C ATOM 769 O PRO A 50 -12.166 -6.831 -6.477 1.00 0.00 O ATOM 770 CB PRO A 50 -12.086 -8.554 -4.005 1.00 0.00 C ATOM 771 CG PRO A 50 -12.116 -7.983 -2.598 1.00 0.00 C ATOM 772 CD PRO A 50 -10.771 -7.301 -2.339 1.00 0.00 C ATOM 0 HA PRO A 50 -10.436 -8.563 -5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.024 -8.352 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.963 -9.637 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.933 -7.269 -2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.289 -8.774 -1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.900 -6.246 -2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.248 -7.760 -1.500 1.00 0.00 H new ATOM 780 N HIS A 51 -10.981 -5.496 -5.179 1.00 0.00 N ATOM 781 CA HIS A 51 -11.439 -4.289 -5.932 1.00 0.00 C ATOM 782 C HIS A 51 -10.288 -3.289 -6.049 1.00 0.00 C ATOM 783 O HIS A 51 -9.207 -3.513 -5.537 1.00 0.00 O ATOM 784 CB HIS A 51 -12.621 -3.644 -5.194 1.00 0.00 C ATOM 785 CG HIS A 51 -13.625 -4.706 -4.822 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.411 -5.345 -5.768 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.953 -5.275 -3.616 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.166 -6.253 -5.122 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.927 -6.249 -3.808 1.00 0.00 N ATOM 0 H HIS A 51 -10.345 -5.311 -4.404 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.758 -4.582 -6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.268 -3.133 -4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.091 -2.891 -5.827 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.520 -5.007 -2.663 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.878 -6.905 -5.607 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.365 -6.835 -3.097 1.00 0.00 H new ATOM 797 N LYS A 52 -10.512 -2.190 -6.724 1.00 0.00 N ATOM 798 CA LYS A 52 -9.434 -1.170 -6.886 1.00 0.00 C ATOM 799 C LYS A 52 -9.701 0.011 -5.952 1.00 0.00 C ATOM 800 O LYS A 52 -10.831 0.421 -5.764 1.00 0.00 O ATOM 801 CB LYS A 52 -9.410 -0.678 -8.336 1.00 0.00 C ATOM 802 CG LYS A 52 -10.811 -0.220 -8.748 1.00 0.00 C ATOM 803 CD LYS A 52 -10.727 0.572 -10.053 1.00 0.00 C ATOM 804 CE LYS A 52 -12.074 0.513 -10.774 1.00 0.00 C ATOM 805 NZ LYS A 52 -11.871 0.763 -12.230 1.00 0.00 N ATOM 0 H LYS A 52 -11.398 -1.955 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.472 -1.618 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.703 0.145 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.069 -1.476 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.464 -1.083 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.248 0.397 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.459 1.608 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.943 0.162 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.537 -0.462 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.754 1.256 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.787 0.723 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.447 1.703 -12.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.237 0.038 -12.622 1.00 0.00 H new ATOM 819 N ILE A 53 -8.666 0.560 -5.368 1.00 0.00 N ATOM 820 CA ILE A 53 -8.848 1.718 -4.444 1.00 0.00 C ATOM 821 C ILE A 53 -8.969 3.005 -5.264 1.00 0.00 C ATOM 822 O ILE A 53 -8.165 3.268 -6.139 1.00 0.00 O ATOM 823 CB ILE A 53 -7.643 1.820 -3.505 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.416 0.469 -2.819 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.912 2.887 -2.444 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.051 0.470 -2.128 1.00 0.00 C ATOM 0 H ILE A 53 -7.701 0.255 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.753 1.575 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.757 2.092 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.204 0.283 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.463 -0.336 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.054 2.960 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.077 3.849 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.797 2.614 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.890 -0.491 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.269 0.637 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.021 1.265 -1.383 1.00 0.00 H new ATOM 838 N LYS A 54 -9.970 3.802 -4.990 1.00 0.00 N ATOM 839 CA LYS A 54 -10.153 5.072 -5.752 1.00 0.00 C ATOM 840 C LYS A 54 -9.497 6.228 -4.995 1.00 0.00 C ATOM 841 O LYS A 54 -8.728 6.988 -5.553 1.00 0.00 O ATOM 842 CB LYS A 54 -11.648 5.355 -5.919 1.00 0.00 C ATOM 843 CG LYS A 54 -12.163 4.651 -7.177 1.00 0.00 C ATOM 844 CD LYS A 54 -13.633 4.269 -6.984 1.00 0.00 C ATOM 845 CE LYS A 54 -14.526 5.364 -7.571 1.00 0.00 C ATOM 846 NZ LYS A 54 -14.583 5.219 -9.053 1.00 0.00 N ATOM 0 H LYS A 54 -10.670 3.627 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.688 4.974 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.195 5.005 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.820 6.429 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.057 5.306 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.568 3.760 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.839 3.316 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.850 4.138 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.529 5.295 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.136 6.347 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.772 6.146 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.674 4.853 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.343 4.557 -9.308 1.00 0.00 H new ATOM 860 N SER A 55 -9.797 6.367 -3.728 1.00 0.00 N ATOM 861 CA SER A 55 -9.195 7.475 -2.928 1.00 0.00 C ATOM 862 C SER A 55 -8.515 6.900 -1.685 1.00 0.00 C ATOM 863 O SER A 55 -8.547 5.707 -1.446 1.00 0.00 O ATOM 864 CB SER A 55 -10.293 8.451 -2.503 1.00 0.00 C ATOM 865 OG SER A 55 -11.017 8.874 -3.651 1.00 0.00 O ATOM 0 H SER A 55 -10.434 5.759 -3.213 1.00 0.00 H new ATOM 0 HA SER A 55 -8.456 7.999 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.965 7.972 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.855 9.312 -1.998 1.00 0.00 H new ATOM 0 HG SER A 55 -11.723 9.498 -3.381 1.00 0.00 H new ATOM 871 N GLY A 56 -7.899 7.741 -0.894 1.00 0.00 N ATOM 872 CA GLY A 56 -7.211 7.256 0.339 1.00 0.00 C ATOM 873 C GLY A 56 -8.235 6.625 1.285 1.00 0.00 C ATOM 874 O GLY A 56 -7.918 5.729 2.045 1.00 0.00 O ATOM 0 H GLY A 56 -7.843 8.747 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.445 6.526 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.705 8.084 0.835 1.00 0.00 H new ATOM 878 N ALA A 57 -9.461 7.085 1.241 1.00 0.00 N ATOM 879 CA ALA A 57 -10.513 6.515 2.134 1.00 0.00 C ATOM 880 C ALA A 57 -10.720 5.037 1.799 1.00 0.00 C ATOM 881 O ALA A 57 -11.035 4.235 2.658 1.00 0.00 O ATOM 882 CB ALA A 57 -11.825 7.275 1.926 1.00 0.00 C ATOM 0 H ALA A 57 -9.778 7.832 0.623 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.199 6.611 3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.594 6.859 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.677 8.328 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.140 7.180 0.887 1.00 0.00 H new ATOM 888 N GLU A 58 -10.543 4.674 0.554 1.00 0.00 N ATOM 889 CA GLU A 58 -10.723 3.248 0.150 1.00 0.00 C ATOM 890 C GLU A 58 -9.544 2.413 0.661 1.00 0.00 C ATOM 891 O GLU A 58 -9.668 1.221 0.873 1.00 0.00 O ATOM 892 CB GLU A 58 -10.792 3.156 -1.376 1.00 0.00 C ATOM 893 CG GLU A 58 -12.253 3.209 -1.826 1.00 0.00 C ATOM 894 CD GLU A 58 -12.435 2.341 -3.073 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.850 1.271 -3.117 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.156 2.761 -3.963 1.00 0.00 O ATOM 0 H GLU A 58 -10.281 5.307 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.648 2.865 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.232 3.976 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.329 2.230 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.904 2.856 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.541 4.238 -2.041 1.00 0.00 H new ATOM 903 N ALA A 59 -8.404 3.028 0.860 1.00 0.00 N ATOM 904 CA ALA A 59 -7.217 2.272 1.358 1.00 0.00 C ATOM 905 C ALA A 59 -7.205 2.283 2.889 1.00 0.00 C ATOM 906 O ALA A 59 -6.693 1.375 3.518 1.00 0.00 O ATOM 907 CB ALA A 59 -5.937 2.928 0.835 1.00 0.00 C ATOM 0 H ALA A 59 -8.246 4.023 0.698 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.271 1.243 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.070 2.376 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.942 2.918 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.885 3.958 1.188 1.00 0.00 H new ATOM 913 N LYS A 60 -7.762 3.304 3.492 1.00 0.00 N ATOM 914 CA LYS A 60 -7.785 3.380 4.982 1.00 0.00 C ATOM 915 C LYS A 60 -8.866 2.444 5.531 1.00 0.00 C ATOM 916 O LYS A 60 -8.702 1.840 6.574 1.00 0.00 O ATOM 917 CB LYS A 60 -8.088 4.815 5.416 1.00 0.00 C ATOM 918 CG LYS A 60 -7.806 4.968 6.912 1.00 0.00 C ATOM 919 CD LYS A 60 -8.533 6.204 7.446 1.00 0.00 C ATOM 920 CE LYS A 60 -7.925 7.462 6.824 1.00 0.00 C ATOM 921 NZ LYS A 60 -8.568 8.669 7.417 1.00 0.00 N ATOM 0 H LYS A 60 -8.203 4.090 3.013 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.813 3.078 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.476 5.515 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.130 5.057 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.137 4.079 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.734 5.062 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.595 6.145 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.451 6.246 8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.850 7.485 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.070 7.453 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.155 9.525 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.590 8.647 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.408 8.678 8.445 1.00 0.00 H new ATOM 935 N LYS A 61 -9.967 2.321 4.833 1.00 0.00 N ATOM 936 CA LYS A 61 -11.065 1.424 5.306 1.00 0.00 C ATOM 937 C LYS A 61 -10.555 -0.018 5.415 1.00 0.00 C ATOM 938 O LYS A 61 -11.103 -0.823 6.145 1.00 0.00 O ATOM 939 CB LYS A 61 -12.233 1.479 4.314 1.00 0.00 C ATOM 940 CG LYS A 61 -11.750 1.069 2.920 1.00 0.00 C ATOM 941 CD LYS A 61 -12.941 1.022 1.960 1.00 0.00 C ATOM 942 CE LYS A 61 -13.646 -0.328 2.089 1.00 0.00 C ATOM 943 NZ LYS A 61 -14.997 -0.245 1.463 1.00 0.00 N ATOM 0 H LYS A 61 -10.153 2.804 3.954 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.401 1.759 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.032 0.814 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.649 2.486 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.006 1.778 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.266 0.093 2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.636 1.830 2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.602 1.171 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.056 -1.106 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.737 -0.604 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.477 -1.163 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.558 0.486 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.899 -0.000 0.457 1.00 0.00 H new ATOM 957 N LEU A 62 -9.513 -0.351 4.691 1.00 0.00 N ATOM 958 CA LEU A 62 -8.968 -1.739 4.745 1.00 0.00 C ATOM 959 C LEU A 62 -8.514 -2.056 6.183 1.00 0.00 C ATOM 960 O LEU A 62 -8.003 -1.187 6.862 1.00 0.00 O ATOM 961 CB LEU A 62 -7.768 -1.855 3.798 1.00 0.00 C ATOM 962 CG LEU A 62 -8.183 -1.466 2.374 1.00 0.00 C ATOM 963 CD1 LEU A 62 -6.955 -1.496 1.460 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.225 -2.456 1.849 1.00 0.00 C ATOM 0 H LEU A 62 -9.017 0.283 4.064 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.742 -2.444 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.961 -1.207 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.384 -2.875 3.808 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.610 -0.463 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.248 -1.220 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.211 -0.790 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.531 -2.500 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.516 -2.175 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.800 -3.460 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.101 -2.439 2.497 1.00 0.00 H new ATOM 976 N PRO A 63 -8.706 -3.290 6.619 1.00 0.00 N ATOM 977 CA PRO A 63 -8.316 -3.739 7.995 1.00 0.00 C ATOM 978 C PRO A 63 -6.814 -4.017 8.055 1.00 0.00 C ATOM 979 O PRO A 63 -6.331 -4.992 7.512 1.00 0.00 O ATOM 980 CB PRO A 63 -9.122 -5.013 8.202 1.00 0.00 C ATOM 981 CG PRO A 63 -9.445 -5.568 6.829 1.00 0.00 C ATOM 982 CD PRO A 63 -9.324 -4.417 5.827 1.00 0.00 C ATOM 0 HA PRO A 63 -8.516 -2.993 8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.554 -5.737 8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.036 -4.804 8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.759 -6.375 6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.451 -5.987 6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.700 -4.694 4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.298 -4.134 5.428 1.00 0.00 H new ATOM 990 N GLY A 64 -6.079 -3.157 8.707 1.00 0.00 N ATOM 991 CA GLY A 64 -4.604 -3.347 8.809 1.00 0.00 C ATOM 992 C GLY A 64 -3.899 -2.043 8.427 1.00 0.00 C ATOM 993 O GLY A 64 -2.815 -1.755 8.899 1.00 0.00 O ATOM 0 H GLY A 64 -6.440 -2.326 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.332 -3.637 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.283 -4.154 8.150 1.00 0.00 H new ATOM 997 N VAL A 65 -4.507 -1.254 7.574 1.00 0.00 N ATOM 998 CA VAL A 65 -3.876 0.033 7.157 1.00 0.00 C ATOM 999 C VAL A 65 -4.313 1.148 8.110 1.00 0.00 C ATOM 1000 O VAL A 65 -5.462 1.225 8.504 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.315 0.379 5.733 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.550 1.611 5.248 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.017 -0.802 4.807 1.00 0.00 C ATOM 0 H VAL A 65 -5.414 -1.448 7.149 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.791 -0.068 7.188 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.385 0.589 5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.863 1.857 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.761 2.453 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.480 1.402 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.329 -0.556 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.947 -1.011 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.562 -1.681 5.152 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.402 2.011 8.482 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.752 3.126 9.409 1.00 0.00 C ATOM 1015 C GLY A 66 -3.762 4.447 8.639 1.00 0.00 C ATOM 1016 O GLY A 66 -4.272 4.529 7.538 1.00 0.00 O ATOM 0 H GLY A 66 -2.427 1.990 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.729 2.947 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.031 3.174 10.225 1.00 0.00 H new ATOM 1020 N THR A 67 -3.201 5.482 9.213 1.00 0.00 N ATOM 1021 CA THR A 67 -3.173 6.804 8.522 1.00 0.00 C ATOM 1022 C THR A 67 -1.810 7.007 7.853 1.00 0.00 C ATOM 1023 O THR A 67 -1.698 7.700 6.859 1.00 0.00 O ATOM 1024 CB THR A 67 -3.407 7.918 9.545 1.00 0.00 C ATOM 1025 OG1 THR A 67 -4.367 7.487 10.500 1.00 0.00 O ATOM 1026 CG2 THR A 67 -3.919 9.170 8.832 1.00 0.00 C ATOM 0 H THR A 67 -2.761 5.466 10.133 1.00 0.00 H new ATOM 0 HA THR A 67 -3.956 6.832 7.764 1.00 0.00 H new ATOM 0 HB THR A 67 -2.470 8.150 10.051 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.517 8.198 11.157 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.085 9.962 9.562 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.181 9.500 8.100 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.856 8.942 8.324 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.777 6.410 8.393 1.00 0.00 N ATOM 1035 CA LYS A 68 0.581 6.566 7.794 1.00 0.00 C ATOM 1036 C LYS A 68 0.611 5.907 6.414 1.00 0.00 C ATOM 1037 O LYS A 68 0.758 6.569 5.405 1.00 0.00 O ATOM 1038 CB LYS A 68 1.616 5.897 8.701 1.00 0.00 C ATOM 1039 CG LYS A 68 1.722 6.674 10.015 1.00 0.00 C ATOM 1040 CD LYS A 68 3.145 6.559 10.563 1.00 0.00 C ATOM 1041 CE LYS A 68 3.282 7.433 11.812 1.00 0.00 C ATOM 1042 NZ LYS A 68 3.466 8.855 11.406 1.00 0.00 N ATOM 0 H LYS A 68 -0.817 5.821 9.224 1.00 0.00 H new ATOM 0 HA LYS A 68 0.814 7.626 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.328 4.864 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.586 5.868 8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.467 7.721 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.009 6.282 10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.370 5.521 10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.864 6.872 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.395 7.334 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.131 7.101 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.677 9.431 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.254 8.924 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.595 9.203 10.957 1.00 0.00 H new ATOM 1056 N ILE A 69 0.476 4.606 6.367 1.00 0.00 N ATOM 1057 CA ILE A 69 0.499 3.889 5.057 1.00 0.00 C ATOM 1058 C ILE A 69 -0.660 4.375 4.181 1.00 0.00 C ATOM 1059 O ILE A 69 -0.488 4.639 3.005 1.00 0.00 O ATOM 1060 CB ILE A 69 0.363 2.385 5.311 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.504 1.919 6.231 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.422 1.619 3.982 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.866 2.151 5.558 1.00 0.00 C ATOM 0 H ILE A 69 0.350 4.007 7.183 1.00 0.00 H new ATOM 0 HA ILE A 69 1.439 4.091 4.543 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.596 2.186 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.462 2.461 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.382 0.861 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.324 0.550 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.392 1.948 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.376 1.814 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.662 1.816 6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.911 1.589 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.992 3.213 5.348 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.837 4.491 4.742 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.012 4.958 3.945 1.00 0.00 C ATOM 1077 C ALA A 70 -2.725 6.345 3.363 1.00 0.00 C ATOM 1078 O ALA A 70 -3.152 6.670 2.271 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.247 5.025 4.843 1.00 0.00 C ATOM 0 H ALA A 70 -2.035 4.282 5.720 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.194 4.257 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.103 5.366 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.456 4.035 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.065 5.722 5.661 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.997 7.162 4.087 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.669 8.525 3.587 1.00 0.00 C ATOM 1087 C GLU A 71 -0.858 8.412 2.293 1.00 0.00 C ATOM 1088 O GLU A 71 -1.074 9.145 1.347 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.847 9.270 4.641 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.780 10.111 5.516 1.00 0.00 C ATOM 1091 CD GLU A 71 -2.269 11.324 4.722 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -1.441 11.986 4.119 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -3.465 11.569 4.730 1.00 0.00 O ATOM 0 H GLU A 71 -1.617 6.937 5.006 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.591 9.073 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.296 8.559 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.110 9.910 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.629 9.510 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.257 10.438 6.414 1.00 0.00 H new ATOM 1100 N LYS A 72 0.071 7.488 2.250 1.00 0.00 N ATOM 1101 CA LYS A 72 0.901 7.309 1.022 1.00 0.00 C ATOM 1102 C LYS A 72 -0.002 6.909 -0.147 1.00 0.00 C ATOM 1103 O LYS A 72 0.278 7.216 -1.291 1.00 0.00 O ATOM 1104 CB LYS A 72 1.939 6.211 1.264 1.00 0.00 C ATOM 1105 CG LYS A 72 3.235 6.838 1.781 1.00 0.00 C ATOM 1106 CD LYS A 72 4.167 7.128 0.603 1.00 0.00 C ATOM 1107 CE LYS A 72 5.621 6.962 1.049 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.148 8.274 1.521 1.00 0.00 N ATOM 0 H LYS A 72 0.289 6.850 3.015 1.00 0.00 H new ATOM 0 HA LYS A 72 1.410 8.244 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.558 5.489 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.130 5.666 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.016 7.759 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.722 6.164 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.949 6.450 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.002 8.141 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.686 6.223 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.226 6.591 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.136 8.162 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.100 8.966 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.576 8.610 2.322 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.088 6.232 0.135 1.00 0.00 N ATOM 1123 CA ILE A 73 -2.020 5.815 -0.953 1.00 0.00 C ATOM 1124 C ILE A 73 -2.605 7.063 -1.615 1.00 0.00 C ATOM 1125 O ILE A 73 -2.638 7.179 -2.824 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.151 4.963 -0.364 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.563 3.771 0.411 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -4.051 4.448 -1.492 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.712 2.896 -0.518 1.00 0.00 C ATOM 0 H ILE A 73 -1.368 5.951 1.075 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.480 5.226 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.740 5.577 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.954 4.133 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.368 3.177 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.853 3.843 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.479 5.293 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.462 3.841 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.303 2.057 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.332 2.519 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.895 3.489 -0.929 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.058 8.006 -0.825 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.639 9.263 -1.392 1.00 0.00 C ATOM 1143 C ASP A 74 -2.603 9.946 -2.290 1.00 0.00 C ATOM 1144 O ASP A 74 -2.942 10.576 -3.273 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.025 10.205 -0.251 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.141 11.142 -0.717 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -4.824 12.173 -1.288 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.295 10.813 -0.496 1.00 0.00 O ATOM 0 H ASP A 74 -3.050 7.958 0.194 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.525 9.021 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.356 9.629 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.158 10.785 0.065 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.342 9.813 -1.961 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.277 10.438 -2.797 1.00 0.00 C ATOM 1155 C GLU A 75 -0.234 9.738 -4.158 1.00 0.00 C ATOM 1156 O GLU A 75 0.108 10.333 -5.162 1.00 0.00 O ATOM 1157 CB GLU A 75 1.078 10.284 -2.099 1.00 0.00 C ATOM 1158 CG GLU A 75 1.050 11.024 -0.761 1.00 0.00 C ATOM 1159 CD GLU A 75 1.164 12.530 -1.007 1.00 0.00 C ATOM 1160 OE1 GLU A 75 2.276 12.998 -1.189 1.00 0.00 O ATOM 1161 OE2 GLU A 75 0.137 13.189 -1.010 1.00 0.00 O ATOM 0 H GLU A 75 -1.006 9.297 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.492 11.498 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.298 9.229 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.872 10.683 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.125 10.801 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.871 10.685 -0.129 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.585 8.477 -4.194 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.578 7.722 -5.481 1.00 0.00 C ATOM 1170 C PHE A 76 -1.750 8.176 -6.341 1.00 0.00 C ATOM 1171 O PHE A 76 -1.600 8.493 -7.506 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.746 6.231 -5.191 1.00 0.00 C ATOM 1173 CG PHE A 76 0.601 5.606 -4.962 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.440 6.106 -3.963 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.005 4.525 -5.747 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.694 5.521 -3.749 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.258 3.937 -5.536 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.103 4.437 -4.535 1.00 0.00 C ATOM 0 H PHE A 76 -0.878 7.936 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 76 0.363 7.905 -6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.377 6.090 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.247 5.742 -6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.122 6.942 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.351 4.142 -6.517 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.345 5.906 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.573 3.101 -6.143 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.070 3.986 -4.370 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.918 8.188 -5.767 1.00 0.00 N ATOM 1189 CA LEU A 77 -4.131 8.594 -6.522 1.00 0.00 C ATOM 1190 C LEU A 77 -4.123 10.109 -6.752 1.00 0.00 C ATOM 1191 O LEU A 77 -4.689 10.598 -7.712 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.372 8.203 -5.711 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.629 6.685 -5.775 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.717 6.210 -7.229 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.497 5.940 -5.065 1.00 0.00 C ATOM 0 H LEU A 77 -3.085 7.930 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.145 8.092 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.241 8.508 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.242 8.737 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.577 6.475 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.899 5.135 -7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.535 6.726 -7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.780 6.430 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.682 4.867 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.549 6.167 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.452 6.255 -4.022 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.489 10.852 -5.881 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.447 12.335 -6.046 1.00 0.00 C ATOM 1209 C ALA A 78 -2.700 12.686 -7.338 1.00 0.00 C ATOM 1210 O ALA A 78 -3.307 12.978 -8.352 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.734 12.963 -4.844 1.00 0.00 C ATOM 0 H ALA A 78 -2.998 10.494 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.463 12.725 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.703 14.046 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.274 12.715 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.717 12.576 -4.781 1.00 0.00 H new ATOM 1217 N THR A 79 -1.390 12.660 -7.310 1.00 0.00 N ATOM 1218 CA THR A 79 -0.602 12.991 -8.532 1.00 0.00 C ATOM 1219 C THR A 79 0.441 11.899 -8.778 1.00 0.00 C ATOM 1220 O THR A 79 0.388 11.189 -9.764 1.00 0.00 O ATOM 1221 CB THR A 79 0.104 14.335 -8.336 1.00 0.00 C ATOM 1222 OG1 THR A 79 -0.798 15.259 -7.744 1.00 0.00 O ATOM 1223 CG2 THR A 79 0.571 14.871 -9.690 1.00 0.00 C ATOM 0 H THR A 79 -0.833 12.423 -6.489 1.00 0.00 H new ATOM 0 HA THR A 79 -1.272 13.054 -9.390 1.00 0.00 H new ATOM 0 HB THR A 79 0.967 14.201 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.347 16.120 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.073 15.828 -9.549 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.263 14.161 -10.143 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.290 15.006 -10.344 1.00 0.00 H new