USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 67 LYS NZ :NH3+ 161:sc= -0.81 (180deg=-1.61) USER MOD Set 1.2: A 81 MET CE :methyl -119:sc= -1.76 (180deg=-4.52!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 179:sc= 0.232 (180deg=0) USER MOD Set 2.2: A 83 TYR OH : rot 30:sc= 0.218 USER MOD Single : A 21 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -0.129 (180deg=-0.542) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.15 F(o=-3.2!,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.43) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 52:sc= -5.63! USER MOD Single : A 47 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.085 K(o=0.085,f=-0.55) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.562 (180deg=-1.91!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.768 8.039 2.311 1.00 0.00 N ATOM 243 CA GLN A 21 6.862 6.919 2.535 1.00 0.00 C ATOM 244 C GLN A 21 6.523 6.223 1.221 1.00 0.00 C ATOM 245 O GLN A 21 6.695 5.012 1.088 1.00 0.00 O ATOM 246 CB GLN A 21 5.580 7.401 3.217 1.00 0.00 C ATOM 247 CG GLN A 21 5.795 7.889 4.640 1.00 0.00 C ATOM 248 CD GLN A 21 4.605 8.658 5.180 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.812 9.212 4.417 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.473 8.695 6.500 1.00 0.00 N ATOM 0 HA GLN A 21 7.363 6.203 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.146 8.208 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.855 6.587 3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.994 7.035 5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.679 8.526 4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.154 8.222 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.691 9.197 6.920 1.00 0.00 H new ATOM 259 N GLU A 22 6.039 6.997 0.255 1.00 0.00 N ATOM 260 CA GLU A 22 5.674 6.452 -1.048 1.00 0.00 C ATOM 261 C GLU A 22 6.868 5.764 -1.704 1.00 0.00 C ATOM 262 O GLU A 22 6.712 4.776 -2.422 1.00 0.00 O ATOM 263 CB GLU A 22 5.148 7.563 -1.960 1.00 0.00 C ATOM 264 CG GLU A 22 4.642 7.060 -3.301 1.00 0.00 C ATOM 265 CD GLU A 22 5.722 7.046 -4.365 1.00 0.00 C ATOM 266 OE1 GLU A 22 6.471 6.049 -4.436 1.00 0.00 O ATOM 267 OE2 GLU A 22 5.820 8.032 -5.125 1.00 0.00 O ATOM 0 H GLU A 22 5.891 8.002 0.349 1.00 0.00 H new ATOM 0 HA GLU A 22 4.888 5.712 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.340 8.088 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.943 8.289 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.244 6.053 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.818 7.691 -3.634 1.00 0.00 H new ATOM 274 N LYS A 23 8.060 6.294 -1.452 1.00 0.00 N ATOM 275 CA LYS A 23 9.282 5.732 -2.016 1.00 0.00 C ATOM 276 C LYS A 23 9.648 4.422 -1.325 1.00 0.00 C ATOM 277 O LYS A 23 9.709 3.369 -1.960 1.00 0.00 O ATOM 278 CB LYS A 23 10.435 6.730 -1.885 1.00 0.00 C ATOM 279 CG LYS A 23 10.501 7.735 -3.021 1.00 0.00 C ATOM 280 CD LYS A 23 11.277 8.979 -2.621 1.00 0.00 C ATOM 281 CE LYS A 23 12.778 8.735 -2.660 1.00 0.00 C ATOM 282 NZ LYS A 23 13.251 8.405 -4.033 1.00 0.00 N ATOM 0 H LYS A 23 8.206 7.112 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 23 9.105 5.528 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.334 7.267 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.376 6.182 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.973 7.274 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.491 8.015 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.023 9.799 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.983 9.286 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.300 9.622 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.031 7.919 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.268 8.609 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.085 7.396 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.731 8.979 -4.727 1.00 0.00 H new ATOM 296 N LEU A 24 9.889 4.495 -0.020 1.00 0.00 N ATOM 297 CA LEU A 24 10.248 3.314 0.758 1.00 0.00 C ATOM 298 C LEU A 24 9.349 2.134 0.403 1.00 0.00 C ATOM 299 O LEU A 24 9.807 0.994 0.322 1.00 0.00 O ATOM 300 CB LEU A 24 10.146 3.615 2.254 1.00 0.00 C ATOM 301 CG LEU A 24 10.320 2.421 3.193 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.693 1.792 3.008 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.116 2.845 4.640 1.00 0.00 C ATOM 0 H LEU A 24 9.842 5.359 0.521 1.00 0.00 H new ATOM 0 HA LEU A 24 11.277 3.049 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.899 4.362 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.172 4.065 2.448 1.00 0.00 H new ATOM 0 HG LEU A 24 9.565 1.675 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.799 0.944 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.801 1.451 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.464 2.530 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.244 1.982 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.847 3.610 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.111 3.247 4.763 1.00 0.00 H new ATOM 315 N VAL A 25 8.068 2.416 0.190 1.00 0.00 N ATOM 316 CA VAL A 25 7.105 1.378 -0.161 1.00 0.00 C ATOM 317 C VAL A 25 7.370 0.832 -1.559 1.00 0.00 C ATOM 318 O VAL A 25 7.491 -0.378 -1.752 1.00 0.00 O ATOM 319 CB VAL A 25 5.660 1.908 -0.094 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.668 0.793 -0.391 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.384 2.530 1.267 1.00 0.00 C ATOM 0 H VAL A 25 7.673 3.354 0.254 1.00 0.00 H new ATOM 0 HA VAL A 25 7.225 0.576 0.567 1.00 0.00 H new ATOM 0 HB VAL A 25 5.539 2.681 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.653 1.186 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.853 0.397 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.786 -0.004 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.359 2.899 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.522 1.779 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.073 3.358 1.435 1.00 0.00 H new ATOM 331 N TYR A 26 7.461 1.731 -2.532 1.00 0.00 N ATOM 332 CA TYR A 26 7.710 1.340 -3.914 1.00 0.00 C ATOM 333 C TYR A 26 8.998 0.530 -4.027 1.00 0.00 C ATOM 334 O TYR A 26 9.118 -0.348 -4.881 1.00 0.00 O ATOM 335 CB TYR A 26 7.791 2.577 -4.810 1.00 0.00 C ATOM 336 CG TYR A 26 8.317 2.286 -6.198 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.519 1.659 -7.147 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.611 2.640 -6.560 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.996 1.391 -8.416 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.095 2.377 -7.827 1.00 0.00 C ATOM 341 CZ TYR A 26 9.284 1.752 -8.751 1.00 0.00 C ATOM 342 OH TYR A 26 9.762 1.487 -10.014 1.00 0.00 O ATOM 0 H TYR A 26 7.366 2.736 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 26 6.880 0.716 -4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.799 3.021 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.434 3.318 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.509 1.376 -6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.249 3.129 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.363 0.901 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.103 2.659 -8.092 1.00 0.00 H new ATOM 0 HH TYR A 26 10.686 1.806 -10.088 1.00 0.00 H new ATOM 352 N GLN A 27 9.958 0.834 -3.159 1.00 0.00 N ATOM 353 CA GLN A 27 11.238 0.135 -3.161 1.00 0.00 C ATOM 354 C GLN A 27 11.081 -1.289 -2.639 1.00 0.00 C ATOM 355 O GLN A 27 11.814 -2.193 -3.043 1.00 0.00 O ATOM 356 CB GLN A 27 12.258 0.893 -2.310 1.00 0.00 C ATOM 357 CG GLN A 27 12.858 2.101 -3.012 1.00 0.00 C ATOM 358 CD GLN A 27 13.163 1.835 -4.473 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.728 0.667 -4.757 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 12.893 2.669 -5.338 1.00 0.00 N flip ATOM 0 H GLN A 27 9.874 1.559 -2.446 1.00 0.00 H new ATOM 0 HA GLN A 27 11.596 0.088 -4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.778 1.220 -1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.061 0.212 -2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.167 2.941 -2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.775 2.395 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.459 3.554 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.103 2.475 -6.317 1.00 0.00 H new ATOM 369 N ILE A 28 10.122 -1.482 -1.740 1.00 0.00 N ATOM 370 CA ILE A 28 9.869 -2.797 -1.164 1.00 0.00 C ATOM 371 C ILE A 28 9.093 -3.683 -2.134 1.00 0.00 C ATOM 372 O ILE A 28 9.270 -4.901 -2.154 1.00 0.00 O ATOM 373 CB ILE A 28 9.084 -2.692 0.157 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.886 -1.897 1.190 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.752 -4.078 0.688 1.00 0.00 C ATOM 376 CD1 ILE A 28 9.029 -1.267 2.266 1.00 0.00 C ATOM 0 H ILE A 28 9.508 -0.745 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 28 10.842 -3.246 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 28 8.149 -2.165 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.616 -2.558 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.447 -1.114 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.197 -3.987 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.146 -4.612 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.675 -4.630 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.664 -0.720 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.317 -0.581 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.488 -2.046 2.803 1.00 0.00 H new ATOM 388 N ILE A 29 8.237 -3.062 -2.937 1.00 0.00 N ATOM 389 CA ILE A 29 7.437 -3.793 -3.912 1.00 0.00 C ATOM 390 C ILE A 29 8.311 -4.365 -5.022 1.00 0.00 C ATOM 391 O ILE A 29 8.265 -5.561 -5.308 1.00 0.00 O ATOM 392 CB ILE A 29 6.353 -2.896 -4.537 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.427 -2.344 -3.451 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.556 -3.672 -5.575 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.645 -1.124 -3.886 1.00 0.00 C ATOM 0 H ILE A 29 8.079 -2.054 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 29 6.955 -4.610 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 29 6.840 -2.057 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.729 -3.125 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.021 -2.091 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.794 -3.024 -6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.225 -4.020 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.077 -4.529 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.010 -0.787 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.337 -0.327 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.024 -1.377 -4.745 1.00 0.00 H new ATOM 407 N GLU A 30 9.108 -3.502 -5.645 1.00 0.00 N ATOM 408 CA GLU A 30 9.994 -3.922 -6.724 1.00 0.00 C ATOM 409 C GLU A 30 10.926 -5.037 -6.259 1.00 0.00 C ATOM 410 O GLU A 30 11.315 -5.903 -7.043 1.00 0.00 O ATOM 411 CB GLU A 30 10.814 -2.735 -7.232 1.00 0.00 C ATOM 412 CG GLU A 30 11.943 -2.331 -6.298 1.00 0.00 C ATOM 413 CD GLU A 30 12.770 -1.184 -6.845 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.177 -0.153 -7.227 1.00 0.00 O ATOM 415 OE2 GLU A 30 14.011 -1.317 -6.890 1.00 0.00 O ATOM 0 H GLU A 30 9.158 -2.508 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 30 9.378 -4.303 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.232 -2.984 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.151 -1.882 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.526 -2.045 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.591 -3.190 -6.124 1.00 0.00 H new ATOM 422 N ASP A 31 11.281 -5.008 -4.979 1.00 0.00 N ATOM 423 CA ASP A 31 12.167 -6.016 -4.409 1.00 0.00 C ATOM 424 C ASP A 31 11.501 -7.389 -4.409 1.00 0.00 C ATOM 425 O ASP A 31 12.164 -8.411 -4.585 1.00 0.00 O ATOM 426 CB ASP A 31 12.565 -5.629 -2.984 1.00 0.00 C ATOM 427 CG ASP A 31 13.816 -4.774 -2.943 1.00 0.00 C ATOM 428 OD1 ASP A 31 14.845 -5.201 -3.509 1.00 0.00 O ATOM 429 OD2 ASP A 31 13.767 -3.678 -2.347 1.00 0.00 O ATOM 0 H ASP A 31 10.969 -4.298 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 31 13.063 -6.067 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.743 -5.088 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.727 -6.533 -2.397 1.00 0.00 H new ATOM 434 N ALA A 32 10.187 -7.403 -4.210 1.00 0.00 N ATOM 435 CA ALA A 32 9.432 -8.649 -4.189 1.00 0.00 C ATOM 436 C ALA A 32 9.688 -9.469 -5.449 1.00 0.00 C ATOM 437 O ALA A 32 9.760 -10.696 -5.399 1.00 0.00 O ATOM 438 CB ALA A 32 7.945 -8.363 -4.037 1.00 0.00 C ATOM 0 H ALA A 32 9.624 -6.566 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 32 9.768 -9.233 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.393 -9.303 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.771 -7.826 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.604 -7.755 -4.875 1.00 0.00 H new ATOM 444 N GLY A 33 9.825 -8.782 -6.579 1.00 0.00 N ATOM 445 CA GLY A 33 10.072 -9.463 -7.836 1.00 0.00 C ATOM 446 C GLY A 33 8.795 -9.949 -8.492 1.00 0.00 C ATOM 447 O GLY A 33 7.697 -9.673 -8.009 1.00 0.00 O ATOM 0 H GLY A 33 9.769 -7.766 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.592 -8.788 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.733 -10.312 -7.662 1.00 0.00 H new ATOM 451 N ASN A 34 8.937 -10.673 -9.597 1.00 0.00 N ATOM 452 CA ASN A 34 7.785 -11.196 -10.322 1.00 0.00 C ATOM 453 C ASN A 34 6.740 -11.749 -9.357 1.00 0.00 C ATOM 454 O ASN A 34 5.545 -11.494 -9.506 1.00 0.00 O ATOM 455 CB ASN A 34 8.224 -12.291 -11.297 1.00 0.00 C ATOM 456 CG ASN A 34 9.467 -11.906 -12.076 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.585 -12.244 -11.688 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.276 -11.196 -13.182 1.00 0.00 N ATOM 0 H ASN A 34 9.839 -10.911 -10.010 1.00 0.00 H new ATOM 0 HA ASN A 34 7.338 -10.376 -10.884 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.415 -13.211 -10.744 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.412 -12.501 -11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.075 -10.909 -13.748 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.331 -10.938 -13.466 1.00 0.00 H new ATOM 465 N LYS A 35 7.200 -12.507 -8.367 1.00 0.00 N ATOM 466 CA LYS A 35 6.307 -13.095 -7.376 1.00 0.00 C ATOM 467 C LYS A 35 5.334 -12.052 -6.833 1.00 0.00 C ATOM 468 O LYS A 35 4.158 -12.340 -6.618 1.00 0.00 O ATOM 469 CB LYS A 35 7.116 -13.700 -6.226 1.00 0.00 C ATOM 470 CG LYS A 35 7.731 -15.048 -6.559 1.00 0.00 C ATOM 471 CD LYS A 35 7.865 -15.920 -5.322 1.00 0.00 C ATOM 472 CE LYS A 35 6.519 -16.474 -4.881 1.00 0.00 C ATOM 473 NZ LYS A 35 6.629 -17.263 -3.623 1.00 0.00 N ATOM 0 H LYS A 35 8.186 -12.728 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 35 5.733 -13.883 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.910 -13.007 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.469 -13.810 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.114 -15.557 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.713 -14.900 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.548 -16.744 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.303 -15.338 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.819 -15.652 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.110 -17.104 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.691 -17.623 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.278 -18.062 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.996 -16.655 -2.863 1.00 0.00 H new ATOM 487 N GLY A 36 5.834 -10.839 -6.616 1.00 0.00 N ATOM 488 CA GLY A 36 4.995 -9.772 -6.102 1.00 0.00 C ATOM 489 C GLY A 36 5.084 -9.640 -4.595 1.00 0.00 C ATOM 490 O GLY A 36 5.985 -10.199 -3.968 1.00 0.00 O ATOM 0 H GLY A 36 6.805 -10.576 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.288 -8.829 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.960 -9.959 -6.387 1.00 0.00 H new ATOM 494 N ILE A 37 4.149 -8.898 -4.011 1.00 0.00 N ATOM 495 CA ILE A 37 4.127 -8.693 -2.568 1.00 0.00 C ATOM 496 C ILE A 37 2.711 -8.415 -2.075 1.00 0.00 C ATOM 497 O ILE A 37 1.948 -7.695 -2.720 1.00 0.00 O ATOM 498 CB ILE A 37 5.043 -7.528 -2.151 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.148 -7.454 -0.626 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.520 -6.215 -2.715 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.201 -6.483 -0.139 1.00 0.00 C ATOM 0 H ILE A 37 3.397 -8.429 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 37 4.494 -9.613 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 37 6.039 -7.705 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.180 -7.163 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.373 -8.447 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.178 -5.401 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.491 -6.272 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.515 -6.030 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.219 -6.483 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.177 -6.785 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.966 -5.481 -0.498 1.00 0.00 H new ATOM 513 N TRP A 38 2.368 -8.987 -0.926 1.00 0.00 N ATOM 514 CA TRP A 38 1.044 -8.799 -0.345 1.00 0.00 C ATOM 515 C TRP A 38 0.961 -7.472 0.402 1.00 0.00 C ATOM 516 O TRP A 38 1.821 -7.157 1.224 1.00 0.00 O ATOM 517 CB TRP A 38 0.712 -9.953 0.603 1.00 0.00 C ATOM 518 CG TRP A 38 -0.755 -10.248 0.688 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.687 -10.059 -0.291 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.457 -10.784 1.815 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.927 -10.444 0.159 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.813 -10.893 1.448 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.073 -11.183 3.098 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.782 -11.384 2.318 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.036 -11.669 3.961 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.378 -11.768 3.568 1.00 0.00 C ATOM 0 H TRP A 38 2.988 -9.584 -0.379 1.00 0.00 H new ATOM 0 HA TRP A 38 0.317 -8.784 -1.157 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.237 -10.849 0.271 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.086 -9.715 1.599 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.480 -9.665 -1.275 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.792 -10.402 -0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.041 -11.113 3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.817 -11.459 2.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.750 -11.978 4.956 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.107 -12.155 4.265 1.00 0.00 H new ATOM 537 N SER A 39 -0.080 -6.698 0.111 1.00 0.00 N ATOM 538 CA SER A 39 -0.273 -5.403 0.753 1.00 0.00 C ATOM 539 C SER A 39 0.207 -5.438 2.201 1.00 0.00 C ATOM 540 O SER A 39 0.856 -4.504 2.673 1.00 0.00 O ATOM 541 CB SER A 39 -1.748 -5.000 0.702 1.00 0.00 C ATOM 542 OG SER A 39 -2.028 -3.972 1.637 1.00 0.00 O ATOM 0 H SER A 39 -0.803 -6.945 -0.565 1.00 0.00 H new ATOM 0 HA SER A 39 0.317 -4.664 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.001 -4.661 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.373 -5.868 0.913 1.00 0.00 H new ATOM 0 HG SER A 39 -2.976 -3.731 1.584 1.00 0.00 H new ATOM 548 N ARG A 40 -0.117 -6.521 2.899 1.00 0.00 N ATOM 549 CA ARG A 40 0.279 -6.677 4.294 1.00 0.00 C ATOM 550 C ARG A 40 1.795 -6.577 4.443 1.00 0.00 C ATOM 551 O ARG A 40 2.300 -5.754 5.206 1.00 0.00 O ATOM 552 CB ARG A 40 -0.209 -8.021 4.837 1.00 0.00 C ATOM 553 CG ARG A 40 -1.675 -8.019 5.240 1.00 0.00 C ATOM 554 CD ARG A 40 -2.053 -9.294 5.977 1.00 0.00 C ATOM 555 NE ARG A 40 -1.863 -9.169 7.419 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.725 -8.557 8.224 1.00 0.00 C ATOM 557 NH1 ARG A 40 -3.830 -8.017 7.729 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.482 -8.484 9.526 1.00 0.00 N ATOM 0 H ARG A 40 -0.652 -7.303 2.522 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.180 -5.872 4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.050 -8.789 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.396 -8.296 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.877 -7.157 5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.297 -7.913 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.095 -9.538 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.451 -10.122 5.602 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.022 -9.574 7.831 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.020 -8.071 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.490 -7.548 8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.633 -8.898 9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.144 -8.014 10.143 1.00 0.00 H new ATOM 572 N ASP A 41 2.513 -7.420 3.709 1.00 0.00 N ATOM 573 CA ASP A 41 3.970 -7.426 3.759 1.00 0.00 C ATOM 574 C ASP A 41 4.518 -6.003 3.808 1.00 0.00 C ATOM 575 O ASP A 41 5.484 -5.723 4.518 1.00 0.00 O ATOM 576 CB ASP A 41 4.540 -8.164 2.546 1.00 0.00 C ATOM 577 CG ASP A 41 4.366 -9.666 2.648 1.00 0.00 C ATOM 578 OD1 ASP A 41 3.207 -10.126 2.711 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.389 -10.382 2.665 1.00 0.00 O ATOM 0 H ASP A 41 2.110 -8.108 3.073 1.00 0.00 H new ATOM 0 HA ASP A 41 4.276 -7.945 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.048 -7.805 1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.600 -7.930 2.447 1.00 0.00 H new ATOM 584 N VAL A 42 3.896 -5.108 3.048 1.00 0.00 N ATOM 585 CA VAL A 42 4.321 -3.714 3.005 1.00 0.00 C ATOM 586 C VAL A 42 4.229 -3.068 4.383 1.00 0.00 C ATOM 587 O VAL A 42 5.200 -2.498 4.878 1.00 0.00 O ATOM 588 CB VAL A 42 3.473 -2.899 2.010 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.004 -1.478 1.894 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.447 -3.580 0.650 1.00 0.00 C ATOM 0 H VAL A 42 3.096 -5.323 2.453 1.00 0.00 H new ATOM 0 HA VAL A 42 5.360 -3.710 2.674 1.00 0.00 H new ATOM 0 HB VAL A 42 2.451 -2.850 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.392 -0.918 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.965 -0.994 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.035 -1.503 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.844 -2.991 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.463 -3.662 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.015 -4.576 0.750 1.00 0.00 H new ATOM 600 N ARG A 43 3.054 -3.163 4.996 1.00 0.00 N ATOM 601 CA ARG A 43 2.833 -2.587 6.318 1.00 0.00 C ATOM 602 C ARG A 43 4.066 -2.763 7.200 1.00 0.00 C ATOM 603 O ARG A 43 4.454 -1.852 7.931 1.00 0.00 O ATOM 604 CB ARG A 43 1.619 -3.236 6.984 1.00 0.00 C ATOM 605 CG ARG A 43 0.311 -2.516 6.700 1.00 0.00 C ATOM 606 CD ARG A 43 -0.829 -3.083 7.531 1.00 0.00 C ATOM 607 NE ARG A 43 -0.674 -2.778 8.951 1.00 0.00 N ATOM 608 CZ ARG A 43 -1.570 -3.108 9.875 1.00 0.00 C ATOM 609 NH1 ARG A 43 -2.678 -3.749 9.530 1.00 0.00 N ATOM 610 NH2 ARG A 43 -1.358 -2.796 11.148 1.00 0.00 N ATOM 0 H ARG A 43 2.240 -3.633 4.599 1.00 0.00 H new ATOM 0 HA ARG A 43 2.644 -1.520 6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.537 -4.268 6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.780 -3.268 8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.425 -1.453 6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.069 -2.603 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.775 -2.677 7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.875 -4.164 7.395 1.00 0.00 H new ATOM 0 HE ARG A 43 0.168 -2.285 9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.844 -3.990 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.364 -4.001 10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.507 -2.303 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.046 -3.050 11.857 1.00 0.00 H new ATOM 624 N TYR A 44 4.676 -3.940 7.126 1.00 0.00 N ATOM 625 CA TYR A 44 5.863 -4.237 7.919 1.00 0.00 C ATOM 626 C TYR A 44 7.113 -3.649 7.272 1.00 0.00 C ATOM 627 O TYR A 44 7.831 -2.858 7.884 1.00 0.00 O ATOM 628 CB TYR A 44 6.025 -5.749 8.087 1.00 0.00 C ATOM 629 CG TYR A 44 4.714 -6.484 8.252 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.954 -6.847 7.147 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.236 -6.817 9.514 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.755 -7.518 7.294 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.039 -7.489 9.670 1.00 0.00 C ATOM 634 CZ TYR A 44 2.302 -7.837 8.557 1.00 0.00 C ATOM 635 OH TYR A 44 1.110 -8.506 8.707 1.00 0.00 O ATOM 0 H TYR A 44 4.368 -4.704 6.525 1.00 0.00 H new ATOM 0 HA TYR A 44 5.736 -3.780 8.901 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.549 -6.148 7.219 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.653 -5.944 8.956 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.306 -6.601 6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.810 -6.546 10.388 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.176 -7.791 6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.682 -7.740 10.658 1.00 0.00 H new ATOM 0 HH TYR A 44 0.936 -8.655 9.660 1.00 0.00 H new ATOM 645 N LYS A 45 7.367 -4.041 6.028 1.00 0.00 N ATOM 646 CA LYS A 45 8.528 -3.553 5.293 1.00 0.00 C ATOM 647 C LYS A 45 8.598 -2.030 5.337 1.00 0.00 C ATOM 648 O LYS A 45 9.565 -1.458 5.841 1.00 0.00 O ATOM 649 CB LYS A 45 8.476 -4.030 3.840 1.00 0.00 C ATOM 650 CG LYS A 45 8.552 -5.540 3.693 1.00 0.00 C ATOM 651 CD LYS A 45 9.667 -6.127 4.541 1.00 0.00 C ATOM 652 CE LYS A 45 10.058 -7.517 4.063 1.00 0.00 C ATOM 653 NZ LYS A 45 10.911 -8.226 5.057 1.00 0.00 N ATOM 0 H LYS A 45 6.784 -4.696 5.507 1.00 0.00 H new ATOM 0 HA LYS A 45 9.423 -3.955 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.553 -3.675 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.300 -3.578 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.600 -5.983 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.716 -5.797 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.537 -5.471 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.347 -6.176 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.158 -8.102 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.592 -7.438 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.156 -9.169 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.782 -7.681 5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.392 -8.324 5.953 1.00 0.00 H new ATOM 667 N SER A 46 7.568 -1.379 4.806 1.00 0.00 N ATOM 668 CA SER A 46 7.515 0.078 4.783 1.00 0.00 C ATOM 669 C SER A 46 7.326 0.638 6.190 1.00 0.00 C ATOM 670 O SER A 46 7.623 1.802 6.451 1.00 0.00 O ATOM 671 CB SER A 46 6.379 0.554 3.876 1.00 0.00 C ATOM 672 OG SER A 46 6.472 -0.035 2.590 1.00 0.00 O ATOM 0 H SER A 46 6.759 -1.837 4.386 1.00 0.00 H new ATOM 0 HA SER A 46 8.463 0.445 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.419 0.301 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.412 1.640 3.785 1.00 0.00 H new ATOM 0 HG SER A 46 6.550 -1.008 2.681 1.00 0.00 H new ATOM 678 N ASN A 47 6.829 -0.202 7.092 1.00 0.00 N ATOM 679 CA ASN A 47 6.598 0.207 8.473 1.00 0.00 C ATOM 680 C ASN A 47 5.525 1.288 8.548 1.00 0.00 C ATOM 681 O ASN A 47 5.528 2.121 9.455 1.00 0.00 O ATOM 682 CB ASN A 47 7.898 0.719 9.098 1.00 0.00 C ATOM 683 CG ASN A 47 9.059 -0.232 8.878 1.00 0.00 C ATOM 684 OD1 ASN A 47 9.938 0.025 8.055 1.00 0.00 O ATOM 685 ND2 ASN A 47 9.066 -1.337 9.615 1.00 0.00 N ATOM 0 H ASN A 47 6.578 -1.170 6.892 1.00 0.00 H new ATOM 0 HA ASN A 47 6.251 -0.663 9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.144 1.692 8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.750 0.866 10.168 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.821 -2.015 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.316 -1.508 10.285 1.00 0.00 H new ATOM 692 N LEU A 48 4.606 1.269 7.588 1.00 0.00 N ATOM 693 CA LEU A 48 3.525 2.248 7.545 1.00 0.00 C ATOM 694 C LEU A 48 2.190 1.600 7.901 1.00 0.00 C ATOM 695 O LEU A 48 2.011 0.387 7.789 1.00 0.00 O ATOM 696 CB LEU A 48 3.441 2.883 6.156 1.00 0.00 C ATOM 697 CG LEU A 48 4.440 4.005 5.870 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.586 4.221 4.372 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.007 5.293 6.557 1.00 0.00 C ATOM 0 H LEU A 48 4.588 0.587 6.830 1.00 0.00 H new ATOM 0 HA LEU A 48 3.740 3.023 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.582 2.100 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.434 3.276 6.019 1.00 0.00 H new ATOM 0 HG LEU A 48 5.411 3.712 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.301 5.023 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.943 3.303 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.619 4.492 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.730 6.080 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.026 5.590 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.955 5.131 7.634 1.00 0.00 H new ATOM 711 N PRO A 49 1.230 2.427 8.340 1.00 0.00 N ATOM 712 CA PRO A 49 -0.106 1.958 8.719 1.00 0.00 C ATOM 713 C PRO A 49 -0.920 1.492 7.517 1.00 0.00 C ATOM 714 O PRO A 49 -0.681 1.922 6.388 1.00 0.00 O ATOM 715 CB PRO A 49 -0.749 3.193 9.354 1.00 0.00 C ATOM 716 CG PRO A 49 -0.036 4.349 8.741 1.00 0.00 C ATOM 717 CD PRO A 49 1.373 3.884 8.499 1.00 0.00 C ATOM 0 HA PRO A 49 -0.061 1.095 9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.819 3.233 9.147 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.634 3.186 10.438 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.513 4.652 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.053 5.214 9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.801 4.345 7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.028 4.135 9.334 1.00 0.00 H new ATOM 725 N LEU A 50 -1.883 0.611 7.765 1.00 0.00 N ATOM 726 CA LEU A 50 -2.733 0.086 6.702 1.00 0.00 C ATOM 727 C LEU A 50 -3.245 1.212 5.809 1.00 0.00 C ATOM 728 O LEU A 50 -3.193 1.119 4.583 1.00 0.00 O ATOM 729 CB LEU A 50 -3.913 -0.683 7.299 1.00 0.00 C ATOM 730 CG LEU A 50 -4.853 -1.353 6.296 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.520 -0.312 5.412 1.00 0.00 C ATOM 732 CD2 LEU A 50 -4.096 -2.368 5.451 1.00 0.00 C ATOM 0 H LEU A 50 -2.095 0.245 8.693 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.135 -0.593 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.521 -1.450 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.497 0.005 7.911 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.630 -1.879 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.185 -0.808 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.096 0.376 6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.758 0.243 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.781 -2.835 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.298 -1.864 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.667 -3.133 6.098 1.00 0.00 H new ATOM 744 N THR A 51 -3.738 2.277 6.433 1.00 0.00 N ATOM 745 CA THR A 51 -4.259 3.422 5.696 1.00 0.00 C ATOM 746 C THR A 51 -3.195 4.015 4.779 1.00 0.00 C ATOM 747 O THR A 51 -3.513 4.637 3.766 1.00 0.00 O ATOM 748 CB THR A 51 -4.769 4.519 6.649 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.433 5.545 5.903 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.620 5.125 7.441 1.00 0.00 C ATOM 0 H THR A 51 -3.788 2.371 7.447 1.00 0.00 H new ATOM 0 HA THR A 51 -5.092 3.059 5.094 1.00 0.00 H new ATOM 0 HB THR A 51 -5.472 4.065 7.348 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.756 6.238 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.005 5.897 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.134 4.347 8.030 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.897 5.565 6.754 1.00 0.00 H new ATOM 758 N GLU A 52 -1.931 3.818 5.141 1.00 0.00 N ATOM 759 CA GLU A 52 -0.821 4.334 4.349 1.00 0.00 C ATOM 760 C GLU A 52 -0.467 3.374 3.217 1.00 0.00 C ATOM 761 O GLU A 52 -0.182 3.797 2.097 1.00 0.00 O ATOM 762 CB GLU A 52 0.403 4.566 5.237 1.00 0.00 C ATOM 763 CG GLU A 52 0.447 5.949 5.865 1.00 0.00 C ATOM 764 CD GLU A 52 0.685 7.045 4.844 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.461 6.812 3.894 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.097 8.136 4.996 1.00 0.00 O ATOM 0 H GLU A 52 -1.651 3.305 5.977 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.130 5.284 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.414 3.817 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.305 4.417 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.493 6.139 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.237 5.978 6.615 1.00 0.00 H new ATOM 773 N ILE A 53 -0.487 2.080 3.519 1.00 0.00 N ATOM 774 CA ILE A 53 -0.169 1.060 2.527 1.00 0.00 C ATOM 775 C ILE A 53 -1.230 1.006 1.434 1.00 0.00 C ATOM 776 O ILE A 53 -0.926 0.739 0.272 1.00 0.00 O ATOM 777 CB ILE A 53 -0.042 -0.333 3.173 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.344 -0.504 3.799 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.301 -1.420 2.142 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.599 0.426 4.965 1.00 0.00 C ATOM 0 H ILE A 53 -0.720 1.713 4.442 1.00 0.00 H new ATOM 0 HA ILE A 53 0.789 1.336 2.086 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.790 -0.422 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.457 -1.535 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.103 -0.333 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.208 -2.398 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.307 -1.306 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.426 -1.336 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.600 0.249 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.518 1.460 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.863 0.239 5.747 1.00 0.00 H new ATOM 792 N ASN A 54 -2.478 1.263 1.815 1.00 0.00 N ATOM 793 CA ASN A 54 -3.585 1.245 0.867 1.00 0.00 C ATOM 794 C ASN A 54 -3.480 2.408 -0.115 1.00 0.00 C ATOM 795 O ASN A 54 -3.563 2.220 -1.329 1.00 0.00 O ATOM 796 CB ASN A 54 -4.921 1.309 1.610 1.00 0.00 C ATOM 797 CG ASN A 54 -5.458 -0.066 1.956 1.00 0.00 C ATOM 798 OD1 ASN A 54 -6.651 -0.333 1.814 1.00 0.00 O ATOM 799 ND2 ASN A 54 -4.575 -0.946 2.415 1.00 0.00 N ATOM 0 H ASN A 54 -2.747 1.486 2.773 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.534 0.313 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.797 1.888 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.650 1.836 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.877 -1.887 2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.595 -0.680 2.516 1.00 0.00 H new ATOM 806 N LYS A 55 -3.295 3.610 0.418 1.00 0.00 N ATOM 807 CA LYS A 55 -3.176 4.805 -0.409 1.00 0.00 C ATOM 808 C LYS A 55 -1.921 4.745 -1.274 1.00 0.00 C ATOM 809 O LYS A 55 -1.952 5.093 -2.454 1.00 0.00 O ATOM 810 CB LYS A 55 -3.143 6.058 0.469 1.00 0.00 C ATOM 811 CG LYS A 55 -1.914 6.146 1.358 1.00 0.00 C ATOM 812 CD LYS A 55 -1.894 7.440 2.154 1.00 0.00 C ATOM 813 CE LYS A 55 -2.888 7.402 3.305 1.00 0.00 C ATOM 814 NZ LYS A 55 -3.030 8.732 3.959 1.00 0.00 N ATOM 0 H LYS A 55 -3.224 3.783 1.421 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.046 4.851 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.183 6.940 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.036 6.077 1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.896 5.297 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.015 6.081 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.891 7.613 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.129 8.277 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.859 7.074 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.562 6.668 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.716 8.664 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.108 9.034 4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.365 9.428 3.262 1.00 0.00 H new ATOM 828 N ILE A 56 -0.819 4.300 -0.679 1.00 0.00 N ATOM 829 CA ILE A 56 0.445 4.192 -1.397 1.00 0.00 C ATOM 830 C ILE A 56 0.362 3.146 -2.503 1.00 0.00 C ATOM 831 O ILE A 56 0.579 3.449 -3.677 1.00 0.00 O ATOM 832 CB ILE A 56 1.602 3.827 -0.447 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.775 4.909 0.621 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.892 3.639 -1.232 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.392 4.398 1.904 1.00 0.00 C ATOM 0 H ILE A 56 -0.776 4.009 0.298 1.00 0.00 H new ATOM 0 HA ILE A 56 0.641 5.169 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 56 1.362 2.887 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.399 5.708 0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.802 5.347 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.700 3.382 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.762 2.837 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.139 4.564 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.485 5.219 2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.757 3.620 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.379 3.987 1.694 1.00 0.00 H new ATOM 847 N LEU A 57 0.044 1.914 -2.122 1.00 0.00 N ATOM 848 CA LEU A 57 -0.071 0.821 -3.083 1.00 0.00 C ATOM 849 C LEU A 57 -0.904 1.242 -4.289 1.00 0.00 C ATOM 850 O LEU A 57 -0.591 0.891 -5.427 1.00 0.00 O ATOM 851 CB LEU A 57 -0.698 -0.405 -2.418 1.00 0.00 C ATOM 852 CG LEU A 57 0.219 -1.214 -1.500 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.527 -2.403 -0.913 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.456 -1.677 -2.255 1.00 0.00 C ATOM 0 H LEU A 57 -0.139 1.646 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 57 0.931 0.566 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.561 -0.077 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.071 -1.066 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 57 0.539 -0.571 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.142 -2.967 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.381 -2.048 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.877 -3.047 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.097 -2.251 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.156 -2.303 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.002 -0.809 -2.625 1.00 0.00 H new ATOM 866 N LYS A 58 -1.966 1.999 -4.033 1.00 0.00 N ATOM 867 CA LYS A 58 -2.843 2.472 -5.097 1.00 0.00 C ATOM 868 C LYS A 58 -2.195 3.617 -5.868 1.00 0.00 C ATOM 869 O LYS A 58 -1.964 3.515 -7.072 1.00 0.00 O ATOM 870 CB LYS A 58 -4.183 2.929 -4.516 1.00 0.00 C ATOM 871 CG LYS A 58 -5.321 2.908 -5.522 1.00 0.00 C ATOM 872 CD LYS A 58 -6.675 2.921 -4.832 1.00 0.00 C ATOM 873 CE LYS A 58 -6.991 4.291 -4.250 1.00 0.00 C ATOM 874 NZ LYS A 58 -8.371 4.352 -3.694 1.00 0.00 N ATOM 0 H LYS A 58 -2.240 2.298 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.015 1.645 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.442 2.287 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.074 3.940 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.240 3.771 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.239 2.019 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.450 2.640 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.687 2.175 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.272 4.527 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.878 5.050 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.548 5.301 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.058 4.152 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.472 3.646 -2.938 1.00 0.00 H new ATOM 888 N ASN A 59 -1.902 4.707 -5.166 1.00 0.00 N ATOM 889 CA ASN A 59 -1.279 5.871 -5.785 1.00 0.00 C ATOM 890 C ASN A 59 -0.281 5.448 -6.859 1.00 0.00 C ATOM 891 O ASN A 59 -0.293 5.970 -7.974 1.00 0.00 O ATOM 892 CB ASN A 59 -0.576 6.723 -4.726 1.00 0.00 C ATOM 893 CG ASN A 59 -1.485 7.787 -4.143 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.856 8.744 -4.823 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.848 7.625 -2.876 1.00 0.00 N ATOM 0 H ASN A 59 -2.086 4.808 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.063 6.464 -6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.216 6.078 -3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.299 7.199 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.458 8.309 -2.429 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.517 6.816 -2.350 1.00 0.00 H new ATOM 902 N LEU A 60 0.581 4.497 -6.515 1.00 0.00 N ATOM 903 CA LEU A 60 1.586 4.002 -7.449 1.00 0.00 C ATOM 904 C LEU A 60 0.929 3.367 -8.670 1.00 0.00 C ATOM 905 O LEU A 60 1.295 3.663 -9.807 1.00 0.00 O ATOM 906 CB LEU A 60 2.495 2.984 -6.758 1.00 0.00 C ATOM 907 CG LEU A 60 3.282 3.497 -5.552 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.923 2.340 -4.801 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.339 4.500 -5.992 1.00 0.00 C ATOM 0 H LEU A 60 0.604 4.054 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 60 2.186 4.849 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.884 2.141 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.203 2.602 -7.493 1.00 0.00 H new ATOM 0 HG LEU A 60 2.589 4.001 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.479 2.725 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.147 1.658 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.603 1.807 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.889 4.854 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.029 4.021 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.857 5.344 -6.485 1.00 0.00 H new ATOM 921 N GLU A 61 -0.045 2.496 -8.426 1.00 0.00 N ATOM 922 CA GLU A 61 -0.754 1.822 -9.507 1.00 0.00 C ATOM 923 C GLU A 61 -1.260 2.827 -10.537 1.00 0.00 C ATOM 924 O GLU A 61 -1.567 2.467 -11.673 1.00 0.00 O ATOM 925 CB GLU A 61 -1.927 1.012 -8.950 1.00 0.00 C ATOM 926 CG GLU A 61 -1.532 -0.367 -8.450 1.00 0.00 C ATOM 927 CD GLU A 61 -2.651 -1.381 -8.588 1.00 0.00 C ATOM 928 OE1 GLU A 61 -2.981 -1.749 -9.735 1.00 0.00 O ATOM 929 OE2 GLU A 61 -3.197 -1.807 -7.548 1.00 0.00 O ATOM 0 H GLU A 61 -0.361 2.241 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.055 1.146 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.386 1.568 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.684 0.904 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.661 -0.715 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.236 -0.299 -7.403 1.00 0.00 H new ATOM 936 N SER A 62 -1.345 4.090 -10.130 1.00 0.00 N ATOM 937 CA SER A 62 -1.818 5.148 -11.015 1.00 0.00 C ATOM 938 C SER A 62 -0.653 5.794 -11.760 1.00 0.00 C ATOM 939 O SER A 62 -0.791 6.211 -12.910 1.00 0.00 O ATOM 940 CB SER A 62 -2.578 6.208 -10.217 1.00 0.00 C ATOM 941 OG SER A 62 -3.563 6.840 -11.017 1.00 0.00 O ATOM 0 H SER A 62 -1.092 4.405 -9.193 1.00 0.00 H new ATOM 0 HA SER A 62 -2.492 4.702 -11.746 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.051 5.746 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.879 6.954 -9.839 1.00 0.00 H new ATOM 0 HG SER A 62 -4.036 7.512 -10.483 1.00 0.00 H new ATOM 947 N LYS A 63 0.495 5.873 -11.096 1.00 0.00 N ATOM 948 CA LYS A 63 1.685 6.466 -11.692 1.00 0.00 C ATOM 949 C LYS A 63 2.378 5.477 -12.624 1.00 0.00 C ATOM 950 O LYS A 63 3.510 5.699 -13.052 1.00 0.00 O ATOM 951 CB LYS A 63 2.656 6.920 -10.600 1.00 0.00 C ATOM 952 CG LYS A 63 2.003 7.757 -9.514 1.00 0.00 C ATOM 953 CD LYS A 63 2.775 7.678 -8.208 1.00 0.00 C ATOM 954 CE LYS A 63 2.634 8.959 -7.399 1.00 0.00 C ATOM 955 NZ LYS A 63 1.415 8.943 -6.543 1.00 0.00 N ATOM 0 H LYS A 63 0.626 5.533 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 63 1.374 7.332 -12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.113 6.042 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.460 7.497 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.944 8.795 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.981 7.414 -9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.413 6.834 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.829 7.493 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.516 9.092 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.592 9.813 -8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.999 9.896 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.723 8.274 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.671 8.648 -5.579 1.00 0.00 H new ATOM 969 N LYS A 64 1.690 4.383 -12.935 1.00 0.00 N ATOM 970 CA LYS A 64 2.237 3.360 -13.818 1.00 0.00 C ATOM 971 C LYS A 64 3.528 2.783 -13.248 1.00 0.00 C ATOM 972 O LYS A 64 4.408 2.349 -13.992 1.00 0.00 O ATOM 973 CB LYS A 64 2.497 3.944 -15.209 1.00 0.00 C ATOM 974 CG LYS A 64 1.284 4.624 -15.820 1.00 0.00 C ATOM 975 CD LYS A 64 0.445 3.648 -16.626 1.00 0.00 C ATOM 976 CE LYS A 64 0.890 3.597 -18.079 1.00 0.00 C ATOM 977 NZ LYS A 64 -0.069 2.837 -18.928 1.00 0.00 N ATOM 0 H LYS A 64 0.752 4.182 -12.588 1.00 0.00 H new ATOM 0 HA LYS A 64 1.505 2.556 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.313 4.664 -15.145 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.828 3.146 -15.873 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.675 5.062 -15.030 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.610 5.442 -16.462 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.520 2.653 -16.187 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.604 3.941 -16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.990 4.612 -18.464 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.875 3.134 -18.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.262 2.840 -19.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.133 1.856 -18.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.007 3.283 -18.877 1.00 0.00 H new ATOM 991 N LEU A 65 3.635 2.779 -11.924 1.00 0.00 N ATOM 992 CA LEU A 65 4.819 2.253 -11.253 1.00 0.00 C ATOM 993 C LEU A 65 4.620 0.792 -10.864 1.00 0.00 C ATOM 994 O LEU A 65 5.555 -0.007 -10.915 1.00 0.00 O ATOM 995 CB LEU A 65 5.137 3.085 -10.009 1.00 0.00 C ATOM 996 CG LEU A 65 5.560 4.533 -10.261 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.882 5.230 -8.948 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.755 4.584 -11.202 1.00 0.00 C ATOM 0 H LEU A 65 2.916 3.134 -11.293 1.00 0.00 H new ATOM 0 HA LEU A 65 5.657 2.314 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.257 3.091 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.933 2.586 -9.456 1.00 0.00 H new ATOM 0 HG LEU A 65 4.729 5.058 -10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.181 6.259 -9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.000 5.225 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.696 4.706 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.042 5.622 -11.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.591 4.044 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.489 4.123 -12.153 1.00 0.00 H new ATOM 1010 N ILE A 66 3.395 0.449 -10.477 1.00 0.00 N ATOM 1011 CA ILE A 66 3.073 -0.917 -10.083 1.00 0.00 C ATOM 1012 C ILE A 66 1.664 -1.298 -10.522 1.00 0.00 C ATOM 1013 O ILE A 66 0.964 -0.508 -11.157 1.00 0.00 O ATOM 1014 CB ILE A 66 3.193 -1.106 -8.559 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.146 -0.258 -7.834 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.594 -0.743 -8.089 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.961 -0.638 -6.381 1.00 0.00 C ATOM 0 H ILE A 66 2.610 1.098 -10.428 1.00 0.00 H new ATOM 0 HA ILE A 66 3.793 -1.567 -10.579 1.00 0.00 H new ATOM 0 HB ILE A 66 3.012 -2.154 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.436 0.791 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.191 -0.354 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.663 -0.882 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.322 -1.385 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.802 0.298 -8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.204 0.004 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.641 -1.678 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.905 -0.515 -5.850 1.00 0.00 H new ATOM 1029 N LYS A 67 1.251 -2.512 -10.177 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.077 -2.999 -10.531 1.00 0.00 C ATOM 1031 C LYS A 67 -0.577 -4.014 -9.508 1.00 0.00 C ATOM 1032 O LYS A 67 0.206 -4.565 -8.734 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.055 -3.633 -11.924 1.00 0.00 C ATOM 1034 CG LYS A 67 0.995 -4.719 -12.082 1.00 0.00 C ATOM 1035 CD LYS A 67 0.822 -5.476 -13.388 1.00 0.00 C ATOM 1036 CE LYS A 67 1.902 -6.532 -13.567 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.530 -7.821 -12.920 1.00 0.00 N ATOM 0 H LYS A 67 1.818 -3.178 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.759 -2.148 -10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.037 -4.055 -12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.125 -2.855 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.989 -4.273 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.929 -5.415 -11.246 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.159 -5.950 -13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.854 -4.776 -14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.076 -6.696 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.838 -6.170 -13.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.107 -8.589 -13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.700 -7.757 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.524 -8.018 -13.092 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.883 -4.256 -9.510 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.485 -5.207 -8.584 1.00 0.00 C ATOM 1053 C ALA A 68 -2.709 -6.559 -9.253 1.00 0.00 C ATOM 1054 O ALA A 68 -3.309 -6.641 -10.325 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.799 -4.660 -8.045 1.00 0.00 C ATOM 0 H ALA A 68 -2.545 -3.807 -10.143 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.795 -5.352 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.237 -5.381 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.615 -3.722 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.487 -4.485 -8.872 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.221 -7.618 -8.615 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.368 -8.967 -9.148 1.00 0.00 C ATOM 1063 C VAL A 69 -2.985 -9.902 -8.115 1.00 0.00 C ATOM 1064 O VAL A 69 -2.875 -9.675 -6.910 1.00 0.00 O ATOM 1065 CB VAL A 69 -1.012 -9.542 -9.600 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -1.177 -10.971 -10.096 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.393 -8.663 -10.676 1.00 0.00 C ATOM 0 H VAL A 69 -1.720 -7.568 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.030 -8.896 -10.011 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.338 -9.556 -8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.209 -11.361 -10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.574 -11.591 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.866 -10.986 -10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.564 -9.084 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.061 -8.615 -11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.238 -7.659 -10.281 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.365 -8.421 -4.193 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.920 -8.405 -4.389 1.00 0.00 C ATOM 1225 C VAL A 79 -0.502 -7.262 -5.307 1.00 0.00 C ATOM 1226 O VAL A 79 -1.275 -6.820 -6.157 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.419 -9.735 -4.983 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.101 -9.756 -5.041 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.946 -10.911 -4.174 1.00 0.00 C ATOM 0 HA VAL A 79 -0.470 -8.262 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.798 -9.824 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.436 -10.703 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.453 -8.935 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.505 -9.644 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.583 -11.843 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.598 -10.830 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.036 -10.904 -4.190 1.00 0.00 H new ATOM 1239 N TYR A 80 0.726 -6.787 -5.129 1.00 0.00 N ATOM 1240 CA TYR A 80 1.247 -5.693 -5.941 1.00 0.00 C ATOM 1241 C TYR A 80 2.662 -5.998 -6.422 1.00 0.00 C ATOM 1242 O TYR A 80 3.425 -6.686 -5.745 1.00 0.00 O ATOM 1243 CB TYR A 80 1.237 -4.389 -5.142 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.140 -3.974 -4.676 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.744 -4.596 -3.589 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.838 -2.961 -5.322 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.002 -4.221 -3.160 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.096 -2.579 -4.899 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.674 -3.212 -3.818 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.928 -2.834 -3.394 1.00 0.00 O ATOM 0 H TYR A 80 1.379 -7.142 -4.430 1.00 0.00 H new ATOM 0 HA TYR A 80 0.603 -5.582 -6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.887 -4.500 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.658 -3.593 -5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.220 -5.386 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.389 -2.464 -6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.457 -4.715 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.624 -1.789 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.262 -2.110 -3.964 1.00 0.00 H new ATOM 1260 N MET A 81 3.005 -5.479 -7.596 1.00 0.00 N ATOM 1261 CA MET A 81 4.329 -5.693 -8.169 1.00 0.00 C ATOM 1262 C MET A 81 4.645 -4.633 -9.219 1.00 0.00 C ATOM 1263 O MET A 81 3.798 -3.803 -9.553 1.00 0.00 O ATOM 1264 CB MET A 81 4.420 -7.088 -8.791 1.00 0.00 C ATOM 1265 CG MET A 81 3.788 -7.180 -10.170 1.00 0.00 C ATOM 1266 SD MET A 81 4.245 -8.690 -11.044 1.00 0.00 S ATOM 1267 CE MET A 81 3.019 -9.832 -10.411 1.00 0.00 C ATOM 0 H MET A 81 2.385 -4.907 -8.169 1.00 0.00 H new ATOM 0 HA MET A 81 5.062 -5.613 -7.366 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.468 -7.378 -8.861 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.934 -7.805 -8.129 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.703 -7.136 -10.072 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.090 -6.316 -10.762 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.518 -10.649 -9.890 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.358 -9.310 -9.719 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.434 -10.233 -11.239 1.00 0.00 H new ATOM 1277 N LEU A 82 5.868 -4.667 -9.737 1.00 0.00 N ATOM 1278 CA LEU A 82 6.296 -3.709 -10.751 1.00 0.00 C ATOM 1279 C LEU A 82 5.340 -3.710 -11.940 1.00 0.00 C ATOM 1280 O LEU A 82 4.898 -4.766 -12.393 1.00 0.00 O ATOM 1281 CB LEU A 82 7.714 -4.034 -11.222 1.00 0.00 C ATOM 1282 CG LEU A 82 8.850 -3.494 -10.353 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.136 -4.263 -10.617 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.055 -2.007 -10.607 1.00 0.00 C ATOM 0 H LEU A 82 6.580 -5.347 -9.472 1.00 0.00 H new ATOM 0 HA LEU A 82 6.288 -2.715 -10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.815 -5.117 -11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.838 -3.643 -12.232 1.00 0.00 H new ATOM 0 HG LEU A 82 8.577 -3.630 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.933 -3.865 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.984 -5.317 -10.385 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.413 -4.159 -11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.867 -1.639 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.306 -1.848 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.139 -1.467 -10.367 1.00 0.00 H new ATOM 1296 N TYR A 83 5.026 -2.520 -12.441 1.00 0.00 N ATOM 1297 CA TYR A 83 4.123 -2.384 -13.577 1.00 0.00 C ATOM 1298 C TYR A 83 4.796 -2.845 -14.867 1.00 0.00 C ATOM 1299 O TYR A 83 4.131 -3.287 -15.803 1.00 0.00 O ATOM 1300 CB TYR A 83 3.664 -0.932 -13.719 1.00 0.00 C ATOM 1301 CG TYR A 83 2.646 -0.723 -14.818 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.502 -1.509 -14.892 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.829 0.260 -15.783 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.571 -1.322 -15.894 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.902 0.455 -16.788 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.775 -0.339 -16.840 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.152 -0.148 -17.840 1.00 0.00 O ATOM 0 H TYR A 83 5.384 -1.636 -12.078 1.00 0.00 H new ATOM 0 HA TYR A 83 3.254 -3.017 -13.396 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.237 -0.600 -12.772 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.532 -0.303 -13.915 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.339 -2.279 -14.153 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.711 0.882 -15.746 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.312 -1.942 -15.937 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.058 1.225 -17.529 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.042 -0.394 -17.512 1.00 0.00 H new ATOM 1317 N ASN A 84 6.120 -2.738 -14.906 1.00 0.00 N ATOM 1318 CA ASN A 84 6.885 -3.143 -16.080 1.00 0.00 C ATOM 1319 C ASN A 84 6.777 -4.648 -16.306 1.00 0.00 C ATOM 1320 O ASN A 84 6.697 -5.112 -17.444 1.00 0.00 O ATOM 1321 CB ASN A 84 8.353 -2.743 -15.921 1.00 0.00 C ATOM 1322 CG ASN A 84 8.544 -1.239 -15.906 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.766 -0.641 -14.853 1.00 0.00 O ATOM 1324 ND2 ASN A 84 8.457 -0.620 -17.077 1.00 0.00 N ATOM 0 H ASN A 84 6.685 -2.375 -14.139 1.00 0.00 H new ATOM 0 HA ASN A 84 6.469 -2.632 -16.948 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.744 -3.165 -14.995 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.934 -3.172 -16.737 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.576 0.392 -17.129 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.271 -1.156 -17.925 1.00 0.00 H new