USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 430 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0118) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc=-0.00898 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0976) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0.517 (180deg=0.169) USER MOD Single : A 58 MET CE :methyl -130:sc= -0.627 (180deg=-0.989) USER MOD Single : A 59 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.342 -6.074 8.025 1.00 0.00 N ATOM 83 CA GLY A 9 -10.613 -5.653 9.207 1.00 0.00 C ATOM 84 C GLY A 9 -9.196 -5.218 8.890 1.00 0.00 C ATOM 85 O GLY A 9 -8.635 -4.359 9.571 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.145 -4.829 9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.586 -6.473 9.925 1.00 0.00 H new ATOM 89 N THR A 10 -8.613 -5.814 7.854 1.00 0.00 N ATOM 90 CA THR A 10 -7.252 -5.486 7.451 1.00 0.00 C ATOM 91 C THR A 10 -7.202 -4.146 6.724 1.00 0.00 C ATOM 92 O THR A 10 -6.377 -3.289 7.040 1.00 0.00 O ATOM 93 CB THR A 10 -6.660 -6.575 6.537 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.678 -7.840 7.207 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.233 -6.229 6.137 1.00 0.00 C ATOM 0 H THR A 10 -9.063 -6.526 7.279 1.00 0.00 H new ATOM 0 HA THR A 10 -6.658 -5.424 8.363 1.00 0.00 H new ATOM 0 HB THR A 10 -7.270 -6.632 5.636 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.302 -8.527 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.836 -7.013 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.225 -5.279 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.614 -6.147 7.031 1.00 0.00 H new ATOM 103 N ILE A 11 -8.090 -3.972 5.751 1.00 0.00 N ATOM 104 CA ILE A 11 -8.146 -2.736 4.981 1.00 0.00 C ATOM 105 C ILE A 11 -8.309 -1.526 5.895 1.00 0.00 C ATOM 106 O ILE A 11 -7.539 -0.570 5.819 1.00 0.00 O ATOM 107 CB ILE A 11 -9.305 -2.758 3.966 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.181 -3.973 3.044 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.322 -1.470 3.155 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.469 -4.753 2.897 1.00 0.00 C ATOM 0 H ILE A 11 -8.780 -4.671 5.477 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.202 -2.657 4.442 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.246 -2.834 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.853 -3.640 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.407 -4.635 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.146 -1.500 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.452 -0.620 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.380 -1.367 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.307 -5.600 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.788 -5.116 3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.241 -4.106 2.481 1.00 0.00 H new ATOM 122 N ASP A 12 -9.316 -1.577 6.761 1.00 0.00 N ATOM 123 CA ASP A 12 -9.579 -0.486 7.692 1.00 0.00 C ATOM 124 C ASP A 12 -8.276 0.079 8.247 1.00 0.00 C ATOM 125 O ASP A 12 -8.143 1.289 8.431 1.00 0.00 O ATOM 126 CB ASP A 12 -10.468 -0.970 8.839 1.00 0.00 C ATOM 127 CG ASP A 12 -11.438 0.096 9.310 1.00 0.00 C ATOM 128 OD1 ASP A 12 -12.334 0.471 8.524 1.00 0.00 O ATOM 129 OD2 ASP A 12 -11.300 0.555 10.462 1.00 0.00 O ATOM 0 H ASP A 12 -9.963 -2.362 6.837 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.096 0.306 7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.027 -1.848 8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.841 -1.281 9.674 1.00 0.00 H new ATOM 134 N GLN A 13 -7.319 -0.804 8.513 1.00 0.00 N ATOM 135 CA GLN A 13 -6.026 -0.390 9.049 1.00 0.00 C ATOM 136 C GLN A 13 -5.105 0.097 7.935 1.00 0.00 C ATOM 137 O GLN A 13 -4.442 1.126 8.069 1.00 0.00 O ATOM 138 CB GLN A 13 -5.368 -1.550 9.799 1.00 0.00 C ATOM 139 CG GLN A 13 -6.153 -2.008 11.018 1.00 0.00 C ATOM 140 CD GLN A 13 -5.353 -2.937 11.911 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.355 -2.535 12.509 1.00 0.00 O ATOM 142 NE2 GLN A 13 -5.790 -4.188 12.006 1.00 0.00 N ATOM 0 H GLN A 13 -7.413 -1.809 8.367 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.195 0.434 9.742 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.248 -2.392 9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.368 -1.249 10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.465 -1.136 11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.060 -2.516 10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.622 -4.478 11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.293 -4.859 12.593 1.00 0.00 H new ATOM 151 N LEU A 14 -5.070 -0.647 6.835 1.00 0.00 N ATOM 152 CA LEU A 14 -4.230 -0.292 5.697 1.00 0.00 C ATOM 153 C LEU A 14 -4.501 1.141 5.248 1.00 0.00 C ATOM 154 O LEU A 14 -3.610 1.991 5.278 1.00 0.00 O ATOM 155 CB LEU A 14 -4.474 -1.257 4.535 1.00 0.00 C ATOM 156 CG LEU A 14 -3.809 -0.892 3.208 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.303 -0.773 3.380 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.147 -1.923 2.141 1.00 0.00 C ATOM 0 H LEU A 14 -5.614 -1.500 6.707 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.188 -0.366 6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.127 -2.247 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.549 -1.332 4.371 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.194 0.075 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.847 -0.513 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.081 0.004 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.900 -1.725 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.665 -1.647 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.791 -2.904 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.227 -1.958 1.998 1.00 0.00 H new ATOM 170 N VAL A 15 -5.736 1.402 4.834 1.00 0.00 N ATOM 171 CA VAL A 15 -6.125 2.733 4.382 1.00 0.00 C ATOM 172 C VAL A 15 -5.558 3.813 5.297 1.00 0.00 C ATOM 173 O VAL A 15 -4.975 4.792 4.833 1.00 0.00 O ATOM 174 CB VAL A 15 -7.657 2.879 4.321 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.052 4.348 4.277 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.216 2.132 3.119 1.00 0.00 C ATOM 0 H VAL A 15 -6.485 0.710 4.802 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.715 2.859 3.380 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.083 2.440 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.138 4.432 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.684 4.851 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.617 4.815 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.300 2.246 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.785 2.540 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.964 1.074 3.199 1.00 0.00 H new ATOM 186 N LYS A 16 -5.733 3.625 6.600 1.00 0.00 N ATOM 187 CA LYS A 16 -5.238 4.582 7.584 1.00 0.00 C ATOM 188 C LYS A 16 -3.780 4.939 7.309 1.00 0.00 C ATOM 189 O LYS A 16 -3.376 6.093 7.458 1.00 0.00 O ATOM 190 CB LYS A 16 -5.376 4.009 8.996 1.00 0.00 C ATOM 191 CG LYS A 16 -4.056 3.569 9.607 1.00 0.00 C ATOM 192 CD LYS A 16 -4.269 2.788 10.891 1.00 0.00 C ATOM 193 CE LYS A 16 -3.021 2.795 11.762 1.00 0.00 C ATOM 194 NZ LYS A 16 -2.056 1.734 11.356 1.00 0.00 N ATOM 0 H LYS A 16 -6.214 2.819 7.000 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.837 5.489 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.832 4.760 9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.056 3.157 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.510 2.953 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.439 4.444 9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.103 3.218 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.541 1.760 10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.538 3.770 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.304 2.649 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.303 1.658 12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.553 0.824 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.637 1.979 10.436 1.00 0.00 H new ATOM 208 N ARG A 17 -2.998 3.943 6.907 1.00 0.00 N ATOM 209 CA ARG A 17 -1.586 4.153 6.611 1.00 0.00 C ATOM 210 C ARG A 17 -1.414 5.085 5.415 1.00 0.00 C ATOM 211 O ARG A 17 -0.983 6.229 5.562 1.00 0.00 O ATOM 212 CB ARG A 17 -0.896 2.817 6.332 1.00 0.00 C ATOM 213 CG ARG A 17 -1.318 1.706 7.279 1.00 0.00 C ATOM 214 CD ARG A 17 -0.446 0.471 7.113 1.00 0.00 C ATOM 215 NE ARG A 17 -0.306 -0.273 8.362 1.00 0.00 N ATOM 216 CZ ARG A 17 0.436 0.138 9.384 1.00 0.00 C ATOM 217 NH1 ARG A 17 1.101 1.283 9.306 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.513 -0.594 10.488 1.00 0.00 N ATOM 0 H ARG A 17 -3.318 2.983 6.779 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.124 4.617 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.113 2.512 5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.183 2.953 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.256 2.061 8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.360 1.445 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.878 -0.178 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.540 0.769 6.756 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.806 -1.157 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.043 1.850 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.670 1.597 10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.002 -1.474 10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.083 -0.276 11.272 1.00 0.00 H new ATOM 232 N VAL A 18 -1.753 4.588 4.230 1.00 0.00 N ATOM 233 CA VAL A 18 -1.638 5.375 3.007 1.00 0.00 C ATOM 234 C VAL A 18 -2.052 6.823 3.245 1.00 0.00 C ATOM 235 O VAL A 18 -1.612 7.729 2.538 1.00 0.00 O ATOM 236 CB VAL A 18 -2.499 4.785 1.876 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.960 3.430 1.444 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.951 4.675 2.315 1.00 0.00 C ATOM 0 H VAL A 18 -2.110 3.643 4.090 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.590 5.344 2.708 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.452 5.457 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.582 3.029 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.937 3.543 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.974 2.745 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.546 4.256 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.019 4.025 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.330 5.665 2.569 1.00 0.00 H new ATOM 248 N ILE A 19 -2.899 7.032 4.247 1.00 0.00 N ATOM 249 CA ILE A 19 -3.372 8.371 4.579 1.00 0.00 C ATOM 250 C ILE A 19 -2.312 9.152 5.350 1.00 0.00 C ATOM 251 O ILE A 19 -1.782 10.147 4.857 1.00 0.00 O ATOM 252 CB ILE A 19 -4.665 8.320 5.415 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.767 7.591 4.644 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.112 9.727 5.784 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.570 8.494 3.736 1.00 0.00 C ATOM 0 H ILE A 19 -3.272 6.293 4.843 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.579 8.876 3.636 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.465 7.770 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.317 6.797 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.441 7.113 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.027 9.675 6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.331 10.216 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.299 10.299 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.332 7.908 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.049 9.273 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.908 8.953 3.001 1.00 0.00 H new ATOM 267 N GLU A 20 -2.010 8.694 6.560 1.00 0.00 N ATOM 268 CA GLU A 20 -1.013 9.350 7.398 1.00 0.00 C ATOM 269 C GLU A 20 0.362 9.311 6.738 1.00 0.00 C ATOM 270 O GLU A 20 1.256 10.078 7.095 1.00 0.00 O ATOM 271 CB GLU A 20 -0.950 8.682 8.773 1.00 0.00 C ATOM 272 CG GLU A 20 -2.309 8.261 9.308 1.00 0.00 C ATOM 273 CD GLU A 20 -2.595 8.832 10.684 1.00 0.00 C ATOM 274 OE1 GLU A 20 -1.712 8.741 11.561 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.705 9.371 10.882 1.00 0.00 O ATOM 0 H GLU A 20 -2.441 7.872 6.982 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.309 10.392 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.305 7.805 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.487 9.370 9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.085 8.586 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.357 7.173 9.353 1.00 0.00 H new ATOM 282 N GLY A 21 0.524 8.411 5.773 1.00 0.00 N ATOM 283 CA GLY A 21 1.792 8.288 5.078 1.00 0.00 C ATOM 284 C GLY A 21 2.789 7.435 5.839 1.00 0.00 C ATOM 285 O GLY A 21 3.890 7.173 5.353 1.00 0.00 O ATOM 0 H GLY A 21 -0.200 7.765 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.623 7.852 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.214 9.280 4.919 1.00 0.00 H new ATOM 289 N SER A 22 2.405 7.004 7.035 1.00 0.00 N ATOM 290 CA SER A 22 3.275 6.181 7.867 1.00 0.00 C ATOM 291 C SER A 22 4.044 5.173 7.018 1.00 0.00 C ATOM 292 O SER A 22 5.131 4.731 7.392 1.00 0.00 O ATOM 293 CB SER A 22 2.455 5.447 8.930 1.00 0.00 C ATOM 294 OG SER A 22 3.248 4.499 9.621 1.00 0.00 O ATOM 0 H SER A 22 1.497 7.211 7.450 1.00 0.00 H new ATOM 0 HA SER A 22 3.992 6.838 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.044 6.167 9.638 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.610 4.945 8.459 1.00 0.00 H new ATOM 0 HG SER A 22 2.701 4.045 10.296 1.00 0.00 H new ATOM 300 N LEU A 23 3.473 4.817 5.873 1.00 0.00 N ATOM 301 CA LEU A 23 4.104 3.861 4.968 1.00 0.00 C ATOM 302 C LEU A 23 4.610 4.556 3.708 1.00 0.00 C ATOM 303 O LEU A 23 3.891 5.341 3.090 1.00 0.00 O ATOM 304 CB LEU A 23 3.116 2.755 4.594 1.00 0.00 C ATOM 305 CG LEU A 23 2.360 2.949 3.279 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.800 1.623 2.785 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.245 3.970 3.451 1.00 0.00 C ATOM 0 H LEU A 23 2.575 5.175 5.549 1.00 0.00 H new ATOM 0 HA LEU A 23 4.957 3.418 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.660 1.812 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.387 2.659 5.399 1.00 0.00 H new ATOM 0 HG LEU A 23 3.059 3.326 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.265 1.780 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.618 0.921 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.116 1.217 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.718 4.096 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.547 3.622 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.671 4.925 3.759 1.00 0.00 H new ATOM 319 N SER A 24 5.850 4.262 3.333 1.00 0.00 N ATOM 320 CA SER A 24 6.453 4.860 2.148 1.00 0.00 C ATOM 321 C SER A 24 5.569 4.645 0.923 1.00 0.00 C ATOM 322 O SER A 24 4.630 3.849 0.934 1.00 0.00 O ATOM 323 CB SER A 24 7.841 4.265 1.901 1.00 0.00 C ATOM 324 OG SER A 24 8.860 5.170 2.292 1.00 0.00 O ATOM 0 H SER A 24 6.457 3.613 3.833 1.00 0.00 H new ATOM 0 HA SER A 24 6.551 5.932 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.945 3.333 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.953 4.021 0.845 1.00 0.00 H new ATOM 0 HG SER A 24 9.737 4.766 2.126 1.00 0.00 H new ATOM 330 N PRO A 25 5.877 5.370 -0.163 1.00 0.00 N ATOM 331 CA PRO A 25 5.125 5.277 -1.417 1.00 0.00 C ATOM 332 C PRO A 25 5.343 3.945 -2.126 1.00 0.00 C ATOM 333 O PRO A 25 4.447 3.433 -2.797 1.00 0.00 O ATOM 334 CB PRO A 25 5.689 6.428 -2.256 1.00 0.00 C ATOM 335 CG PRO A 25 7.059 6.652 -1.717 1.00 0.00 C ATOM 336 CD PRO A 25 6.984 6.338 -0.249 1.00 0.00 C ATOM 0 HA PRO A 25 4.049 5.339 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.717 6.170 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.075 7.324 -2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.784 6.010 -2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.379 7.681 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.918 5.914 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.784 7.231 0.343 1.00 0.00 H new ATOM 344 N LYS A 26 6.539 3.388 -1.974 1.00 0.00 N ATOM 345 CA LYS A 26 6.876 2.114 -2.598 1.00 0.00 C ATOM 346 C LYS A 26 6.131 0.965 -1.926 1.00 0.00 C ATOM 347 O LYS A 26 5.565 0.104 -2.596 1.00 0.00 O ATOM 348 CB LYS A 26 8.385 1.869 -2.526 1.00 0.00 C ATOM 349 CG LYS A 26 8.891 0.877 -3.558 1.00 0.00 C ATOM 350 CD LYS A 26 8.825 1.452 -4.963 1.00 0.00 C ATOM 351 CE LYS A 26 9.215 0.417 -6.007 1.00 0.00 C ATOM 352 NZ LYS A 26 10.673 0.457 -6.310 1.00 0.00 N ATOM 0 H LYS A 26 7.293 3.799 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 26 6.572 2.159 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.905 2.817 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.638 1.505 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.919 0.601 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.297 -0.035 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.815 1.810 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.489 2.313 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.945 -0.577 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.649 0.593 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.899 -0.263 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.926 1.398 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.213 0.264 -5.443 1.00 0.00 H new ATOM 366 N GLU A 27 6.136 0.961 -0.596 1.00 0.00 N ATOM 367 CA GLU A 27 5.460 -0.082 0.166 1.00 0.00 C ATOM 368 C GLU A 27 4.048 -0.315 -0.364 1.00 0.00 C ATOM 369 O GLU A 27 3.598 -1.455 -0.482 1.00 0.00 O ATOM 370 CB GLU A 27 5.405 0.292 1.648 1.00 0.00 C ATOM 371 CG GLU A 27 6.659 -0.084 2.419 1.00 0.00 C ATOM 372 CD GLU A 27 7.783 0.916 2.229 1.00 0.00 C ATOM 373 OE1 GLU A 27 7.889 1.484 1.121 1.00 0.00 O ATOM 374 OE2 GLU A 27 8.554 1.131 3.186 1.00 0.00 O ATOM 0 H GLU A 27 6.600 1.668 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 27 6.029 -1.005 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.243 1.366 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.546 -0.199 2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.420 -0.159 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.996 -1.069 2.098 1.00 0.00 H new ATOM 381 N ARG A 28 3.354 0.773 -0.680 1.00 0.00 N ATOM 382 CA ARG A 28 1.993 0.689 -1.195 1.00 0.00 C ATOM 383 C ARG A 28 1.940 -0.177 -2.450 1.00 0.00 C ATOM 384 O ARG A 28 1.203 -1.162 -2.508 1.00 0.00 O ATOM 385 CB ARG A 28 1.454 2.087 -1.505 1.00 0.00 C ATOM 386 CG ARG A 28 1.283 2.959 -0.272 1.00 0.00 C ATOM 387 CD ARG A 28 0.805 4.356 -0.640 1.00 0.00 C ATOM 388 NE ARG A 28 1.773 5.382 -0.265 1.00 0.00 N ATOM 389 CZ ARG A 28 1.500 6.682 -0.253 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.292 7.112 -0.592 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.435 7.555 0.099 1.00 0.00 N ATOM 0 H ARG A 28 3.712 1.724 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 28 1.369 0.229 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.132 2.583 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.493 1.993 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.567 2.495 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.231 3.026 0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.622 4.405 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.145 4.556 -0.145 1.00 0.00 H new ATOM 0 HE ARG A 28 2.711 5.084 0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.430 6.444 -0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.085 8.111 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.365 7.228 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.224 8.553 0.108 1.00 0.00 H new ATOM 405 N THR A 29 2.726 0.197 -3.455 1.00 0.00 N ATOM 406 CA THR A 29 2.767 -0.543 -4.709 1.00 0.00 C ATOM 407 C THR A 29 3.122 -2.007 -4.473 1.00 0.00 C ATOM 408 O THR A 29 2.862 -2.864 -5.318 1.00 0.00 O ATOM 409 CB THR A 29 3.786 0.067 -5.690 1.00 0.00 C ATOM 410 OG1 THR A 29 3.247 1.255 -6.280 1.00 0.00 O ATOM 411 CG2 THR A 29 4.150 -0.927 -6.782 1.00 0.00 C ATOM 0 H THR A 29 3.343 1.009 -3.424 1.00 0.00 H new ATOM 0 HA THR A 29 1.770 -0.478 -5.145 1.00 0.00 H new ATOM 0 HB THR A 29 4.689 0.316 -5.132 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.901 1.638 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.871 -0.473 -7.462 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.588 -1.818 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.253 -1.204 -7.336 1.00 0.00 H new ATOM 419 N LEU A 30 3.717 -2.287 -3.318 1.00 0.00 N ATOM 420 CA LEU A 30 4.106 -3.649 -2.970 1.00 0.00 C ATOM 421 C LEU A 30 2.936 -4.411 -2.357 1.00 0.00 C ATOM 422 O LEU A 30 2.873 -5.639 -2.434 1.00 0.00 O ATOM 423 CB LEU A 30 5.284 -3.629 -1.993 1.00 0.00 C ATOM 424 CG LEU A 30 6.580 -3.008 -2.516 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.579 -2.826 -1.384 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.174 -3.868 -3.622 1.00 0.00 C ATOM 0 H LEU A 30 3.940 -1.590 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 30 4.408 -4.159 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.979 -3.085 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.494 -4.654 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 30 6.350 -2.027 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.495 -2.383 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.153 -2.169 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.806 -3.795 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.096 -3.411 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.390 -4.863 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.462 -3.946 -4.444 1.00 0.00 H new ATOM 438 N LEU A 31 2.010 -3.676 -1.753 1.00 0.00 N ATOM 439 CA LEU A 31 0.838 -4.281 -1.129 1.00 0.00 C ATOM 440 C LEU A 31 0.158 -5.259 -2.082 1.00 0.00 C ATOM 441 O LEU A 31 -0.374 -6.285 -1.661 1.00 0.00 O ATOM 442 CB LEU A 31 -0.152 -3.198 -0.698 1.00 0.00 C ATOM 443 CG LEU A 31 0.325 -2.253 0.406 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.757 -1.241 0.746 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.729 -3.041 1.644 1.00 0.00 C ATOM 0 H LEU A 31 2.047 -2.659 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 31 1.169 -4.831 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.410 -2.601 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.068 -3.684 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 31 1.199 -1.712 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.400 -0.577 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.999 -0.655 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.649 -1.764 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.066 -2.353 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.127 -3.609 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.538 -3.727 1.391 1.00 0.00 H new ATOM 457 N LYS A 32 0.180 -4.932 -3.370 1.00 0.00 N ATOM 458 CA LYS A 32 -0.431 -5.782 -4.386 1.00 0.00 C ATOM 459 C LYS A 32 0.273 -7.133 -4.460 1.00 0.00 C ATOM 460 O LYS A 32 -0.368 -8.167 -4.645 1.00 0.00 O ATOM 461 CB LYS A 32 -0.384 -5.093 -5.751 1.00 0.00 C ATOM 462 CG LYS A 32 -0.773 -3.626 -5.707 1.00 0.00 C ATOM 463 CD LYS A 32 -1.619 -3.237 -6.909 1.00 0.00 C ATOM 464 CE LYS A 32 -2.035 -1.775 -6.847 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.622 -1.029 -8.067 1.00 0.00 N ATOM 0 H LYS A 32 0.614 -4.084 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.471 -5.950 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.623 -5.181 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.051 -5.616 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.326 -3.423 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.126 -3.011 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.057 -3.418 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.507 -3.868 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.117 -1.710 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.591 -1.308 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.924 -0.037 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.587 -1.069 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.066 -1.459 -8.904 1.00 0.00 H new ATOM 479 N GLU A 33 1.595 -7.115 -4.315 1.00 0.00 N ATOM 480 CA GLU A 33 2.384 -8.341 -4.366 1.00 0.00 C ATOM 481 C GLU A 33 1.989 -9.289 -3.237 1.00 0.00 C ATOM 482 O GLU A 33 2.302 -10.480 -3.275 1.00 0.00 O ATOM 483 CB GLU A 33 3.877 -8.015 -4.274 1.00 0.00 C ATOM 484 CG GLU A 33 4.368 -7.096 -5.380 1.00 0.00 C ATOM 485 CD GLU A 33 5.843 -7.279 -5.678 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.670 -6.637 -4.998 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.170 -8.066 -6.591 1.00 0.00 O ATOM 0 H GLU A 33 2.141 -6.267 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 33 2.184 -8.834 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.080 -7.550 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.446 -8.944 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.792 -7.284 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.184 -6.060 -5.095 1.00 0.00 H new ATOM 494 N ASP A 34 1.301 -8.754 -2.236 1.00 0.00 N ATOM 495 CA ASP A 34 0.862 -9.551 -1.096 1.00 0.00 C ATOM 496 C ASP A 34 -0.522 -10.143 -1.348 1.00 0.00 C ATOM 497 O ASP A 34 -1.390 -9.517 -1.956 1.00 0.00 O ATOM 498 CB ASP A 34 0.843 -8.699 0.174 1.00 0.00 C ATOM 499 CG ASP A 34 1.310 -9.468 1.394 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.319 -10.195 1.286 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.664 -9.344 2.456 1.00 0.00 O ATOM 0 H ASP A 34 1.034 -7.771 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 34 1.569 -10.370 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.481 -7.826 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.168 -8.330 0.346 1.00 0.00 H new ATOM 506 N PRO A 35 -0.733 -11.379 -0.871 1.00 0.00 N ATOM 507 CA PRO A 35 -2.009 -12.082 -1.032 1.00 0.00 C ATOM 508 C PRO A 35 -3.122 -11.462 -0.194 1.00 0.00 C ATOM 509 O PRO A 35 -4.289 -11.481 -0.585 1.00 0.00 O ATOM 510 CB PRO A 35 -1.697 -13.499 -0.543 1.00 0.00 C ATOM 511 CG PRO A 35 -0.554 -13.332 0.398 1.00 0.00 C ATOM 512 CD PRO A 35 0.258 -12.184 -0.137 1.00 0.00 C ATOM 0 HA PRO A 35 -2.371 -12.041 -2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.558 -13.944 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.434 -14.155 -1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.907 -13.123 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.044 -14.242 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.725 -11.613 0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.059 -12.529 -0.790 1.00 0.00 H new ATOM 520 N ALA A 36 -2.753 -10.913 0.958 1.00 0.00 N ATOM 521 CA ALA A 36 -3.722 -10.286 1.849 1.00 0.00 C ATOM 522 C ALA A 36 -4.427 -9.122 1.161 1.00 0.00 C ATOM 523 O ALA A 36 -5.550 -8.765 1.519 1.00 0.00 O ATOM 524 CB ALA A 36 -3.037 -9.811 3.123 1.00 0.00 C ATOM 0 H ALA A 36 -1.791 -10.889 1.296 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.474 -11.031 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.772 -9.345 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.584 -10.662 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.263 -9.085 2.871 1.00 0.00 H new ATOM 530 N TYR A 37 -3.761 -8.533 0.174 1.00 0.00 N ATOM 531 CA TYR A 37 -4.324 -7.407 -0.562 1.00 0.00 C ATOM 532 C TYR A 37 -4.570 -7.778 -2.022 1.00 0.00 C ATOM 533 O TYR A 37 -4.109 -7.091 -2.934 1.00 0.00 O ATOM 534 CB TYR A 37 -3.388 -6.199 -0.481 1.00 0.00 C ATOM 535 CG TYR A 37 -3.014 -5.816 0.932 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.936 -5.204 1.773 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.741 -6.067 1.427 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.599 -4.851 3.066 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.395 -5.718 2.719 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.327 -5.110 3.534 1.00 0.00 C ATOM 541 OH TYR A 37 -1.988 -4.763 4.821 1.00 0.00 O ATOM 0 H TYR A 37 -2.831 -8.816 -0.135 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.280 -7.149 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.479 -6.416 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.866 -5.347 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.933 -5.001 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.009 -6.543 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.327 -4.375 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.400 -5.920 3.088 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.057 -5.015 4.993 1.00 0.00 H new ATOM 551 N TRP A 38 -5.297 -8.868 -2.233 1.00 0.00 N ATOM 552 CA TRP A 38 -5.606 -9.332 -3.581 1.00 0.00 C ATOM 553 C TRP A 38 -6.746 -8.521 -4.188 1.00 0.00 C ATOM 554 O TRP A 38 -6.857 -8.404 -5.409 1.00 0.00 O ATOM 555 CB TRP A 38 -5.974 -10.815 -3.561 1.00 0.00 C ATOM 556 CG TRP A 38 -7.211 -11.110 -2.767 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.272 -11.674 -1.524 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.563 -10.858 -3.163 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.582 -11.787 -1.124 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.393 -11.293 -2.110 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.154 -10.305 -4.302 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.781 -11.192 -2.167 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.532 -10.206 -4.356 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.333 -10.647 -3.294 1.00 0.00 C ATOM 0 H TRP A 38 -5.684 -9.448 -1.488 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.718 -9.194 -4.198 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.117 -11.160 -4.585 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.141 -11.383 -3.147 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.417 -11.985 -0.942 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.899 -12.176 -0.236 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.545 -9.961 -5.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.400 -11.532 -1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.999 -9.781 -5.232 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.407 -10.555 -3.367 1.00 0.00 H new ATOM 575 N PHE A 39 -7.591 -7.961 -3.328 1.00 0.00 N ATOM 576 CA PHE A 39 -8.723 -7.160 -3.782 1.00 0.00 C ATOM 577 C PHE A 39 -8.248 -5.931 -4.549 1.00 0.00 C ATOM 578 O PHE A 39 -8.889 -5.498 -5.508 1.00 0.00 O ATOM 579 CB PHE A 39 -9.581 -6.732 -2.589 1.00 0.00 C ATOM 580 CG PHE A 39 -8.811 -5.989 -1.534 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.626 -4.619 -1.628 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.272 -6.661 -0.448 1.00 0.00 C ATOM 583 CE1 PHE A 39 -7.918 -3.933 -0.658 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.565 -5.981 0.524 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.387 -4.615 0.418 1.00 0.00 C ATOM 0 H PHE A 39 -7.514 -8.047 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.325 -7.773 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.396 -6.101 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.035 -7.616 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.039 -4.081 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.407 -7.729 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.781 -2.865 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.152 -6.516 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.833 -4.082 1.176 1.00 0.00 H new ATOM 595 N LEU A 40 -7.121 -5.373 -4.122 1.00 0.00 N ATOM 596 CA LEU A 40 -6.559 -4.192 -4.768 1.00 0.00 C ATOM 597 C LEU A 40 -6.755 -4.254 -6.279 1.00 0.00 C ATOM 598 O LEU A 40 -7.128 -3.264 -6.908 1.00 0.00 O ATOM 599 CB LEU A 40 -5.070 -4.067 -4.440 1.00 0.00 C ATOM 600 CG LEU A 40 -4.731 -3.649 -3.009 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.232 -3.735 -2.769 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.237 -2.241 -2.730 1.00 0.00 C ATOM 0 H LEU A 40 -6.578 -5.719 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.083 -3.315 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.593 -5.026 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.627 -3.342 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.229 -4.335 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.010 -3.434 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.896 -4.760 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.714 -3.073 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.987 -1.961 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.768 -1.542 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.319 -2.211 -2.860 1.00 0.00 H new ATOM 614 N SER A 41 -6.501 -5.424 -6.857 1.00 0.00 N ATOM 615 CA SER A 41 -6.648 -5.615 -8.295 1.00 0.00 C ATOM 616 C SER A 41 -8.121 -5.676 -8.688 1.00 0.00 C ATOM 617 O SER A 41 -8.514 -5.181 -9.744 1.00 0.00 O ATOM 618 CB SER A 41 -5.938 -6.896 -8.737 1.00 0.00 C ATOM 619 OG SER A 41 -4.731 -6.601 -9.418 1.00 0.00 O ATOM 0 H SER A 41 -6.192 -6.254 -6.351 1.00 0.00 H new ATOM 0 HA SER A 41 -6.191 -4.763 -8.797 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.726 -7.517 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.595 -7.473 -9.388 1.00 0.00 H new ATOM 0 HG SER A 41 -4.295 -7.436 -9.689 1.00 0.00 H new ATOM 625 N ASP A 42 -8.930 -6.285 -7.829 1.00 0.00 N ATOM 626 CA ASP A 42 -10.361 -6.411 -8.083 1.00 0.00 C ATOM 627 C ASP A 42 -11.086 -5.107 -7.765 1.00 0.00 C ATOM 628 O ASP A 42 -10.615 -4.306 -6.959 1.00 0.00 O ATOM 629 CB ASP A 42 -10.950 -7.553 -7.254 1.00 0.00 C ATOM 630 CG ASP A 42 -12.206 -8.131 -7.874 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.084 -8.941 -8.818 1.00 0.00 O ATOM 632 OD2 ASP A 42 -13.312 -7.776 -7.417 1.00 0.00 O ATOM 0 H ASP A 42 -8.620 -6.700 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.499 -6.633 -9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.205 -8.342 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.177 -7.191 -6.251 1.00 0.00 H new ATOM 637 N GLU A 43 -12.233 -4.902 -8.405 1.00 0.00 N ATOM 638 CA GLU A 43 -13.021 -3.695 -8.190 1.00 0.00 C ATOM 639 C GLU A 43 -14.449 -4.043 -7.780 1.00 0.00 C ATOM 640 O GLU A 43 -15.071 -3.331 -6.991 1.00 0.00 O ATOM 641 CB GLU A 43 -13.038 -2.838 -9.458 1.00 0.00 C ATOM 642 CG GLU A 43 -11.801 -1.971 -9.623 1.00 0.00 C ATOM 643 CD GLU A 43 -12.104 -0.642 -10.287 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.181 -0.072 -10.010 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.265 -0.171 -11.082 1.00 0.00 O ATOM 0 H GLU A 43 -12.637 -5.556 -9.076 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.557 -3.128 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.133 -3.490 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.920 -2.198 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.355 -1.791 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.061 -2.509 -10.216 1.00 0.00 H new ATOM 652 N ASN A 44 -14.964 -5.142 -8.323 1.00 0.00 N ATOM 653 CA ASN A 44 -16.318 -5.584 -8.015 1.00 0.00 C ATOM 654 C ASN A 44 -16.326 -6.508 -6.800 1.00 0.00 C ATOM 655 O ASN A 44 -16.866 -7.613 -6.851 1.00 0.00 O ATOM 656 CB ASN A 44 -16.929 -6.303 -9.219 1.00 0.00 C ATOM 657 CG ASN A 44 -18.437 -6.149 -9.282 1.00 0.00 C ATOM 658 OD1 ASN A 44 -19.078 -5.809 -8.288 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.009 -6.400 -10.453 1.00 0.00 N ATOM 0 H ASN A 44 -14.463 -5.742 -8.978 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.917 -4.703 -7.784 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.488 -5.910 -10.135 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -16.677 -7.362 -9.172 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.020 -6.314 -10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -18.437 -6.679 -11.250 1.00 0.00 H new ATOM 666 N SER A 45 -15.725 -6.045 -5.709 1.00 0.00 N ATOM 667 CA SER A 45 -15.659 -6.831 -4.481 1.00 0.00 C ATOM 668 C SER A 45 -15.981 -5.967 -3.265 1.00 0.00 C ATOM 669 O SER A 45 -16.402 -4.816 -3.400 1.00 0.00 O ATOM 670 CB SER A 45 -14.272 -7.457 -4.324 1.00 0.00 C ATOM 671 OG SER A 45 -13.264 -6.460 -4.302 1.00 0.00 O ATOM 0 H SER A 45 -15.277 -5.131 -5.649 1.00 0.00 H new ATOM 0 HA SER A 45 -16.402 -7.626 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.234 -8.038 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.086 -8.149 -5.145 1.00 0.00 H new ATOM 0 HG SER A 45 -12.387 -6.884 -4.199 1.00 0.00 H new ATOM 677 N LEU A 46 -15.779 -6.528 -2.079 1.00 0.00 N ATOM 678 CA LEU A 46 -16.046 -5.811 -0.837 1.00 0.00 C ATOM 679 C LEU A 46 -14.757 -5.255 -0.241 1.00 0.00 C ATOM 680 O LEU A 46 -14.703 -4.097 0.172 1.00 0.00 O ATOM 681 CB LEU A 46 -16.731 -6.735 0.171 1.00 0.00 C ATOM 682 CG LEU A 46 -16.438 -6.454 1.646 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.105 -7.065 2.050 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.444 -4.957 1.916 1.00 0.00 C ATOM 0 H LEU A 46 -15.431 -7.478 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.709 -4.976 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.808 -6.673 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.436 -7.761 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.223 -6.914 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.913 -6.855 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.137 -8.143 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.309 -6.635 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.234 -4.777 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.681 -4.474 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.422 -4.546 1.666 1.00 0.00 H new ATOM 696 N GLU A 47 -13.721 -6.088 -0.202 1.00 0.00 N ATOM 697 CA GLU A 47 -12.433 -5.678 0.342 1.00 0.00 C ATOM 698 C GLU A 47 -11.888 -4.464 -0.404 1.00 0.00 C ATOM 699 O GLU A 47 -11.187 -3.631 0.172 1.00 0.00 O ATOM 700 CB GLU A 47 -11.430 -6.832 0.263 1.00 0.00 C ATOM 701 CG GLU A 47 -11.717 -7.955 1.245 1.00 0.00 C ATOM 702 CD GLU A 47 -10.467 -8.717 1.640 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.673 -8.179 2.441 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.282 -9.851 1.151 1.00 0.00 O ATOM 0 H GLU A 47 -13.749 -7.050 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.580 -5.404 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.433 -7.236 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.428 -6.445 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.183 -7.541 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.434 -8.646 0.802 1.00 0.00 H new ATOM 711 N TYR A 48 -12.213 -4.373 -1.689 1.00 0.00 N ATOM 712 CA TYR A 48 -11.754 -3.263 -2.516 1.00 0.00 C ATOM 713 C TYR A 48 -12.641 -2.036 -2.323 1.00 0.00 C ATOM 714 O TYR A 48 -12.206 -0.902 -2.528 1.00 0.00 O ATOM 715 CB TYR A 48 -11.742 -3.669 -3.990 1.00 0.00 C ATOM 716 CG TYR A 48 -11.349 -2.547 -4.925 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.298 -1.652 -5.405 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.030 -2.382 -5.328 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.945 -0.626 -6.259 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.667 -1.358 -6.181 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.628 -0.483 -6.644 1.00 0.00 C ATOM 722 OH TYR A 48 -10.271 0.538 -7.494 1.00 0.00 O ATOM 0 H TYR A 48 -12.792 -5.054 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.740 -3.009 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.050 -4.501 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.732 -4.031 -4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.330 -1.761 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.276 -3.066 -4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.695 0.060 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.637 -1.243 -6.484 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.307 0.499 -7.665 1.00 0.00 H new ATOM 732 N LYS A 49 -13.886 -2.271 -1.924 1.00 0.00 N ATOM 733 CA LYS A 49 -14.835 -1.187 -1.700 1.00 0.00 C ATOM 734 C LYS A 49 -14.379 -0.293 -0.551 1.00 0.00 C ATOM 735 O LYS A 49 -14.704 0.893 -0.509 1.00 0.00 O ATOM 736 CB LYS A 49 -16.225 -1.754 -1.398 1.00 0.00 C ATOM 737 CG LYS A 49 -17.220 -1.558 -2.528 1.00 0.00 C ATOM 738 CD LYS A 49 -18.156 -2.747 -2.660 1.00 0.00 C ATOM 739 CE LYS A 49 -18.352 -3.144 -4.115 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.518 -2.449 -4.728 1.00 0.00 N ATOM 0 H LYS A 49 -14.262 -3.203 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.883 -0.586 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.135 -2.819 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.614 -1.280 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.802 -0.654 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.683 -1.411 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.753 -3.592 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.121 -2.503 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.450 -2.908 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.496 -4.222 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.618 -2.747 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.383 -2.694 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.369 -1.420 -4.689 1.00 0.00 H new ATOM 754 N TYR A 50 -13.623 -0.870 0.377 1.00 0.00 N ATOM 755 CA TYR A 50 -13.123 -0.125 1.526 1.00 0.00 C ATOM 756 C TYR A 50 -11.886 0.687 1.152 1.00 0.00 C ATOM 757 O TYR A 50 -11.838 1.899 1.366 1.00 0.00 O ATOM 758 CB TYR A 50 -12.791 -1.079 2.674 1.00 0.00 C ATOM 759 CG TYR A 50 -14.008 -1.555 3.436 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.147 -1.984 2.766 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.019 -1.574 4.825 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.261 -2.419 3.458 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.128 -2.009 5.525 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.246 -2.429 4.837 1.00 0.00 C ATOM 765 OH TYR A 50 -17.354 -2.862 5.531 1.00 0.00 O ATOM 0 H TYR A 50 -13.343 -1.851 0.356 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.904 0.563 1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.261 -1.944 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.112 -0.580 3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.162 -1.977 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.146 -1.243 5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.139 -2.749 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.119 -2.020 6.605 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.179 -2.807 6.494 1.00 0.00 H new ATOM 775 N TYR A 51 -10.889 0.011 0.593 1.00 0.00 N ATOM 776 CA TYR A 51 -9.651 0.667 0.191 1.00 0.00 C ATOM 777 C TYR A 51 -9.941 1.951 -0.580 1.00 0.00 C ATOM 778 O TYR A 51 -9.220 2.941 -0.456 1.00 0.00 O ATOM 779 CB TYR A 51 -8.804 -0.275 -0.665 1.00 0.00 C ATOM 780 CG TYR A 51 -7.538 0.359 -1.194 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.422 0.511 -0.380 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.457 0.808 -2.506 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.263 1.092 -0.859 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.302 1.388 -2.993 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.208 1.528 -2.166 1.00 0.00 C ATOM 786 OH TYR A 51 -4.056 2.107 -2.647 1.00 0.00 O ATOM 0 H TYR A 51 -10.914 -0.992 0.408 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.096 0.924 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.541 -1.152 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.403 -0.626 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.461 0.169 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.312 0.702 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.405 1.204 -0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.256 1.730 -4.016 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.183 2.357 -3.586 1.00 0.00 H new ATOM 796 N LYS A 52 -11.003 1.926 -1.380 1.00 0.00 N ATOM 797 CA LYS A 52 -11.392 3.087 -2.171 1.00 0.00 C ATOM 798 C LYS A 52 -12.330 3.994 -1.382 1.00 0.00 C ATOM 799 O LYS A 52 -12.335 5.212 -1.567 1.00 0.00 O ATOM 800 CB LYS A 52 -12.069 2.640 -3.469 1.00 0.00 C ATOM 801 CG LYS A 52 -11.092 2.184 -4.539 1.00 0.00 C ATOM 802 CD LYS A 52 -10.322 3.354 -5.127 1.00 0.00 C ATOM 803 CE LYS A 52 -11.101 4.030 -6.245 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.703 5.318 -5.803 1.00 0.00 N ATOM 0 H LYS A 52 -11.609 1.114 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.490 3.650 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.758 1.825 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.665 3.464 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.393 1.465 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.634 1.669 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.106 4.079 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.363 3.004 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.438 4.211 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.889 3.362 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.580 5.492 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.918 5.270 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.032 6.093 -5.978 1.00 0.00 H new ATOM 818 N LEU A 53 -13.122 3.394 -0.500 1.00 0.00 N ATOM 819 CA LEU A 53 -14.064 4.149 0.320 1.00 0.00 C ATOM 820 C LEU A 53 -13.352 4.818 1.491 1.00 0.00 C ATOM 821 O LEU A 53 -13.192 6.038 1.519 1.00 0.00 O ATOM 822 CB LEU A 53 -15.171 3.228 0.838 1.00 0.00 C ATOM 823 CG LEU A 53 -16.016 3.778 1.988 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.419 3.376 3.328 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.135 5.291 1.888 1.00 0.00 C ATOM 0 H LEU A 53 -13.131 2.388 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.508 4.926 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.835 2.988 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.716 2.292 1.163 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.016 3.350 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.033 3.776 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.387 2.289 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.408 3.775 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.740 5.664 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.142 5.738 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.609 5.557 0.943 1.00 0.00 H new ATOM 837 N LYS A 54 -12.927 4.012 2.456 1.00 0.00 N ATOM 838 CA LYS A 54 -12.230 4.523 3.630 1.00 0.00 C ATOM 839 C LYS A 54 -11.169 5.545 3.230 1.00 0.00 C ATOM 840 O LYS A 54 -10.988 6.561 3.901 1.00 0.00 O ATOM 841 CB LYS A 54 -11.579 3.373 4.404 1.00 0.00 C ATOM 842 CG LYS A 54 -11.479 3.626 5.898 1.00 0.00 C ATOM 843 CD LYS A 54 -12.762 3.237 6.615 1.00 0.00 C ATOM 844 CE LYS A 54 -12.760 3.716 8.059 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.151 5.149 8.168 1.00 0.00 N ATOM 0 H LYS A 54 -13.053 3.000 2.449 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.962 5.015 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.153 2.462 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.580 3.198 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.644 3.058 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.266 4.680 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.617 3.663 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.880 2.154 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.448 3.106 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.767 3.577 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.545 5.330 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.315 5.749 8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.867 5.369 7.447 1.00 0.00 H new ATOM 859 N LEU A 55 -10.473 5.269 2.133 1.00 0.00 N ATOM 860 CA LEU A 55 -9.432 6.165 1.642 1.00 0.00 C ATOM 861 C LEU A 55 -10.021 7.512 1.234 1.00 0.00 C ATOM 862 O LEU A 55 -9.479 8.564 1.570 1.00 0.00 O ATOM 863 CB LEU A 55 -8.705 5.532 0.454 1.00 0.00 C ATOM 864 CG LEU A 55 -7.533 6.330 -0.118 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.415 6.448 0.907 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.020 5.683 -1.397 1.00 0.00 C ATOM 0 H LEU A 55 -10.611 4.432 1.567 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.719 6.331 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.337 4.552 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.429 5.366 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.885 7.333 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.590 7.019 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.788 6.957 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.065 5.452 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.186 6.265 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.685 4.668 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.821 5.652 -2.136 1.00 0.00 H new ATOM 878 N ALA A 56 -11.134 7.469 0.509 1.00 0.00 N ATOM 879 CA ALA A 56 -11.798 8.686 0.059 1.00 0.00 C ATOM 880 C ALA A 56 -12.244 9.538 1.243 1.00 0.00 C ATOM 881 O ALA A 56 -11.882 10.709 1.347 1.00 0.00 O ATOM 882 CB ALA A 56 -12.988 8.342 -0.824 1.00 0.00 C ATOM 0 H ALA A 56 -11.594 6.605 0.221 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.083 9.267 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.475 9.260 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.646 7.781 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.698 7.738 -0.259 1.00 0.00 H new ATOM 888 N GLU A 57 -13.033 8.942 2.131 1.00 0.00 N ATOM 889 CA GLU A 57 -13.530 9.648 3.306 1.00 0.00 C ATOM 890 C GLU A 57 -12.379 10.068 4.215 1.00 0.00 C ATOM 891 O GLU A 57 -12.402 11.148 4.806 1.00 0.00 O ATOM 892 CB GLU A 57 -14.511 8.766 4.081 1.00 0.00 C ATOM 893 CG GLU A 57 -13.843 7.632 4.840 1.00 0.00 C ATOM 894 CD GLU A 57 -14.819 6.842 5.689 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.695 7.467 6.324 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.708 5.599 5.718 1.00 0.00 O ATOM 0 H GLU A 57 -13.342 7.972 2.059 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.049 10.545 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.065 9.386 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.238 8.347 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.359 6.961 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.059 8.040 5.479 1.00 0.00 H new ATOM 903 N MET A 58 -11.373 9.205 4.324 1.00 0.00 N ATOM 904 CA MET A 58 -10.213 9.487 5.160 1.00 0.00 C ATOM 905 C MET A 58 -9.352 10.585 4.544 1.00 0.00 C ATOM 906 O MET A 58 -8.723 11.366 5.258 1.00 0.00 O ATOM 907 CB MET A 58 -9.379 8.219 5.355 1.00 0.00 C ATOM 908 CG MET A 58 -10.041 7.190 6.258 1.00 0.00 C ATOM 909 SD MET A 58 -9.698 7.474 8.004 1.00 0.00 S ATOM 910 CE MET A 58 -7.976 6.987 8.096 1.00 0.00 C ATOM 0 H MET A 58 -11.339 8.306 3.844 1.00 0.00 H new ATOM 0 HA MET A 58 -10.571 9.832 6.130 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.187 7.767 4.382 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.411 8.491 5.776 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.119 7.210 6.096 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.695 6.194 5.981 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.839 6.290 8.923 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.684 6.505 7.163 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.357 7.869 8.258 1.00 0.00 H new ATOM 920 N GLN A 59 -9.329 10.639 3.217 1.00 0.00 N ATOM 921 CA GLN A 59 -8.544 11.641 2.506 1.00 0.00 C ATOM 922 C GLN A 59 -9.180 13.021 2.636 1.00 0.00 C ATOM 923 O GLN A 59 -8.531 13.977 3.063 1.00 0.00 O ATOM 924 CB GLN A 59 -8.412 11.264 1.029 1.00 0.00 C ATOM 925 CG GLN A 59 -7.173 10.439 0.721 1.00 0.00 C ATOM 926 CD GLN A 59 -6.624 10.707 -0.666 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.889 11.671 -0.880 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.979 9.853 -1.619 1.00 0.00 N ATOM 0 H GLN A 59 -9.845 10.000 2.612 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.551 11.674 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.296 10.704 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.390 12.175 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.403 10.657 1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.414 9.380 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.590 9.067 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.640 9.983 -2.572 1.00 0.00 H new