USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 525 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 89 ASN : amide:sc= 0.333 K(o=0.64,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot -126:sc= 0.312 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.898) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.126 USER MOD Single : A 32 THR OG1 : rot 161:sc= 0.165 USER MOD Single : A 33 MET CE :methyl -169:sc= -1.13 (180deg=-1.54) USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.21) USER MOD Single : A 35 ASN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 40 CYS SG : rot 18:sc= 0.0613 USER MOD Single : A 41 SER OG : rot 107:sc= 0.693 USER MOD Single : A 43 GLN : amide:sc= 0.912 K(o=0.91,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 0.986 (180deg=0.659) USER MOD Single : A 52 ASN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -102:sc= -1.56! USER MOD Single : A 57 THR OG1 : rot 139:sc= 1.24 USER MOD Single : A 59 SER OG : rot 178:sc= -0.118 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -158:sc= 0.0254 USER MOD Single : A 88 ASN : amide:sc= 0.211 K(o=0.21,f=-5.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 5.497 14.838 5.624 1.00 0.00 N ATOM 26 CA LYS A 27 4.703 13.949 6.488 1.00 0.00 C ATOM 27 C LYS A 27 5.477 12.671 6.822 1.00 0.00 C ATOM 28 O LYS A 27 6.515 12.370 6.234 1.00 0.00 O ATOM 29 CB LYS A 27 3.415 13.553 5.721 1.00 0.00 C ATOM 30 CG LYS A 27 2.111 13.697 6.517 1.00 0.00 C ATOM 31 CD LYS A 27 1.811 12.529 7.475 1.00 0.00 C ATOM 32 CE LYS A 27 0.323 12.165 7.584 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.550 13.314 7.927 1.00 0.00 N ATOM 0 HA LYS A 27 4.473 14.472 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.343 14.166 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.510 12.518 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.153 14.621 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.282 13.797 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.364 11.651 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.184 12.784 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.008 11.739 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.202 11.390 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.437 12.964 8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.064 13.926 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.762 13.858 7.066 1.00 0.00 H new ATOM 47 N ARG A 28 4.938 11.907 7.761 1.00 0.00 N ATOM 48 CA ARG A 28 5.241 10.507 8.014 1.00 0.00 C ATOM 49 C ARG A 28 3.970 9.806 8.483 1.00 0.00 C ATOM 50 O ARG A 28 3.338 10.217 9.456 1.00 0.00 O ATOM 51 CB ARG A 28 6.409 10.343 8.993 1.00 0.00 C ATOM 52 CG ARG A 28 7.469 9.568 8.223 1.00 0.00 C ATOM 53 CD ARG A 28 8.740 9.327 9.031 1.00 0.00 C ATOM 54 NE ARG A 28 9.543 8.263 8.398 1.00 0.00 N ATOM 55 CZ ARG A 28 10.764 7.871 8.695 1.00 0.00 C ATOM 56 NH1 ARG A 28 11.491 8.439 9.614 1.00 0.00 N ATOM 57 NH2 ARG A 28 11.252 6.862 8.038 1.00 0.00 N ATOM 0 H ARG A 28 4.235 12.270 8.405 1.00 0.00 H new ATOM 0 HA ARG A 28 5.575 10.034 7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.788 11.311 9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.100 9.804 9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.055 8.608 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.722 10.115 7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.322 10.246 9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.484 9.043 10.052 1.00 0.00 H new ATOM 0 HE ARG A 28 9.093 7.766 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.119 9.228 10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.432 8.095 9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.692 6.402 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.195 6.530 8.240 1.00 0.00 H new ATOM 71 N TYR A 29 3.589 8.792 7.723 1.00 0.00 N ATOM 72 CA TYR A 29 2.366 8.010 7.880 1.00 0.00 C ATOM 73 C TYR A 29 2.689 6.534 7.692 1.00 0.00 C ATOM 74 O TYR A 29 3.790 6.165 7.268 1.00 0.00 O ATOM 75 CB TYR A 29 1.336 8.443 6.811 1.00 0.00 C ATOM 76 CG TYR A 29 1.680 8.007 5.395 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.369 6.693 4.982 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.294 8.890 4.488 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.741 6.212 3.718 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.545 8.447 3.178 1.00 0.00 C ATOM 81 CZ TYR A 29 2.286 7.110 2.791 1.00 0.00 C ATOM 82 OH TYR A 29 2.444 6.691 1.511 1.00 0.00 O ATOM 0 H TYR A 29 4.153 8.472 6.936 1.00 0.00 H new ATOM 0 HA TYR A 29 1.952 8.176 8.875 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.361 8.035 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.244 9.529 6.832 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.831 6.042 5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.567 9.889 4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.610 5.170 3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.943 9.140 2.452 1.00 0.00 H new ATOM 0 HH TYR A 29 1.756 6.027 1.297 1.00 0.00 H new ATOM 92 N ARG A 30 1.687 5.693 7.915 1.00 0.00 N ATOM 93 CA ARG A 30 1.729 4.292 7.522 1.00 0.00 C ATOM 94 C ARG A 30 0.312 3.866 7.103 1.00 0.00 C ATOM 95 O ARG A 30 -0.630 4.061 7.867 1.00 0.00 O ATOM 96 CB ARG A 30 2.377 3.540 8.689 1.00 0.00 C ATOM 97 CG ARG A 30 3.044 2.209 8.330 1.00 0.00 C ATOM 98 CD ARG A 30 2.079 1.026 8.319 1.00 0.00 C ATOM 99 NE ARG A 30 1.562 0.699 9.665 1.00 0.00 N ATOM 100 CZ ARG A 30 2.223 0.208 10.703 1.00 0.00 C ATOM 101 NH1 ARG A 30 3.482 -0.123 10.655 1.00 0.00 N ATOM 102 NH2 ARG A 30 1.597 0.021 11.822 1.00 0.00 N ATOM 0 H ARG A 30 0.819 5.966 8.376 1.00 0.00 H new ATOM 0 HA ARG A 30 2.337 4.067 6.646 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.124 4.189 9.146 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.614 3.351 9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.508 2.298 7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.843 2.009 9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.242 1.251 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.585 0.153 7.907 1.00 0.00 H new ATOM 0 HE ARG A 30 0.568 0.874 9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.007 -0.008 9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.943 -0.497 11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.606 0.251 11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.095 -0.356 12.628 1.00 0.00 H new ATOM 116 N ILE A 31 0.136 3.393 5.871 1.00 0.00 N ATOM 117 CA ILE A 31 -1.133 2.799 5.379 1.00 0.00 C ATOM 118 C ILE A 31 -1.083 1.292 5.505 1.00 0.00 C ATOM 119 O ILE A 31 0.004 0.745 5.579 1.00 0.00 O ATOM 120 CB ILE A 31 -1.472 3.145 3.908 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.397 2.673 2.923 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.757 4.632 3.748 1.00 0.00 C ATOM 123 CD1 ILE A 31 -0.772 2.836 1.445 1.00 0.00 C ATOM 0 H ILE A 31 0.873 3.406 5.166 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.913 3.234 6.004 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.379 2.594 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.522 3.227 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.182 1.622 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.992 4.847 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.604 4.910 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.880 5.205 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.046 2.477 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.672 2.259 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.957 3.889 1.231 1.00 0.00 H new ATOM 135 N THR A 32 -2.238 0.647 5.422 1.00 0.00 N ATOM 136 CA THR A 32 -2.468 -0.802 5.428 1.00 0.00 C ATOM 137 C THR A 32 -3.291 -1.199 4.214 1.00 0.00 C ATOM 138 O THR A 32 -4.198 -0.473 3.801 1.00 0.00 O ATOM 139 CB THR A 32 -3.245 -1.195 6.682 1.00 0.00 C ATOM 140 OG1 THR A 32 -2.453 -0.904 7.801 1.00 0.00 O ATOM 141 CG2 THR A 32 -3.565 -2.684 6.799 1.00 0.00 C ATOM 0 H THR A 32 -3.115 1.161 5.342 1.00 0.00 H new ATOM 0 HA THR A 32 -1.503 -1.308 5.408 1.00 0.00 H new ATOM 0 HB THR A 32 -4.183 -0.642 6.624 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.020 -0.850 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.118 -2.866 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.169 -2.994 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.637 -3.256 6.814 1.00 0.00 H new ATOM 149 N MET A 33 -2.980 -2.371 3.661 1.00 0.00 N ATOM 150 CA MET A 33 -3.542 -2.894 2.425 1.00 0.00 C ATOM 151 C MET A 33 -3.818 -4.395 2.568 1.00 0.00 C ATOM 152 O MET A 33 -2.921 -5.174 2.898 1.00 0.00 O ATOM 153 CB MET A 33 -2.581 -2.632 1.247 1.00 0.00 C ATOM 154 CG MET A 33 -2.022 -1.197 1.215 1.00 0.00 C ATOM 155 SD MET A 33 -1.501 -0.485 -0.367 1.00 0.00 S ATOM 156 CE MET A 33 -0.818 -1.942 -1.179 1.00 0.00 C ATOM 0 H MET A 33 -2.301 -3.005 4.083 1.00 0.00 H new ATOM 0 HA MET A 33 -4.483 -2.383 2.222 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.750 -3.335 1.303 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.104 -2.830 0.311 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.783 -0.539 1.636 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.165 -1.164 1.887 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.281 -1.639 -2.078 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.133 -2.449 -0.500 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.627 -2.620 -1.451 1.00 0.00 H new ATOM 166 N LYS A 34 -5.076 -4.793 2.354 1.00 0.00 N ATOM 167 CA LYS A 34 -5.589 -6.144 2.650 1.00 0.00 C ATOM 168 C LYS A 34 -6.878 -6.457 1.970 1.00 0.00 C ATOM 169 O LYS A 34 -7.567 -5.536 1.576 1.00 0.00 O ATOM 170 CB LYS A 34 -6.070 -6.281 4.117 1.00 0.00 C ATOM 171 CG LYS A 34 -6.147 -5.064 5.038 1.00 0.00 C ATOM 172 CD LYS A 34 -7.418 -4.272 4.669 1.00 0.00 C ATOM 173 CE LYS A 34 -7.502 -2.909 5.367 1.00 0.00 C ATOM 174 NZ LYS A 34 -7.665 -3.039 6.833 1.00 0.00 N ATOM 0 H LYS A 34 -5.786 -4.175 1.961 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.748 -6.772 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.067 -6.721 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.416 -7.006 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.181 -5.377 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.261 -4.440 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.445 -4.123 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.296 -4.863 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.599 -2.337 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.341 -2.345 4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.158 -2.201 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.222 -3.891 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.730 -3.116 7.281 1.00 0.00 H new ATOM 188 N ASN A 35 -7.251 -7.730 2.039 1.00 0.00 N ATOM 189 CA ASN A 35 -8.630 -8.163 1.918 1.00 0.00 C ATOM 190 C ASN A 35 -8.741 -9.678 2.202 1.00 0.00 C ATOM 191 O ASN A 35 -7.725 -10.371 2.232 1.00 0.00 O ATOM 192 CB ASN A 35 -9.259 -7.561 0.656 1.00 0.00 C ATOM 193 CG ASN A 35 -10.433 -8.293 0.038 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.472 -8.488 0.649 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.282 -8.724 -1.188 1.00 0.00 N ATOM 0 H ASN A 35 -6.593 -8.496 2.182 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.283 -7.760 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.582 -6.547 0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.479 -7.478 -0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.039 -9.231 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.408 -8.553 -1.685 1.00 0.00 H new ATOM 257 N CYS A 40 -0.642 -11.267 1.203 1.00 0.00 N ATOM 258 CA CYS A 40 0.405 -10.639 0.392 1.00 0.00 C ATOM 259 C CYS A 40 1.847 -10.856 0.900 1.00 0.00 C ATOM 260 O CYS A 40 2.099 -11.522 1.908 1.00 0.00 O ATOM 261 CB CYS A 40 0.080 -9.158 0.080 1.00 0.00 C ATOM 262 SG CYS A 40 -1.703 -8.792 0.001 1.00 0.00 S ATOM 0 HA CYS A 40 0.392 -11.178 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.536 -8.528 0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.538 -8.889 -0.872 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.368 -9.749 0.577 1.00 0.00 H new ATOM 268 N SER A 41 2.798 -10.277 0.161 1.00 0.00 N ATOM 269 CA SER A 41 4.238 -10.289 0.453 1.00 0.00 C ATOM 270 C SER A 41 4.841 -8.975 -0.044 1.00 0.00 C ATOM 271 O SER A 41 4.278 -8.369 -0.958 1.00 0.00 O ATOM 272 CB SER A 41 4.951 -11.472 -0.230 1.00 0.00 C ATOM 273 OG SER A 41 4.104 -12.526 -0.661 1.00 0.00 O ATOM 0 H SER A 41 2.578 -9.765 -0.693 1.00 0.00 H new ATOM 0 HA SER A 41 4.375 -10.400 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.500 -11.094 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.687 -11.880 0.463 1.00 0.00 H new ATOM 0 HG SER A 41 4.027 -12.505 -1.638 1.00 0.00 H new ATOM 279 N TRP A 42 5.961 -8.490 0.510 1.00 0.00 N ATOM 280 CA TRP A 42 6.463 -7.176 0.078 1.00 0.00 C ATOM 281 C TRP A 42 6.841 -7.156 -1.386 1.00 0.00 C ATOM 282 O TRP A 42 6.449 -6.238 -2.099 1.00 0.00 O ATOM 283 CB TRP A 42 7.590 -6.609 0.945 1.00 0.00 C ATOM 284 CG TRP A 42 8.031 -5.211 0.576 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.306 -4.760 0.614 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.252 -4.099 0.002 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.377 -3.483 0.087 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.149 -3.049 -0.364 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.887 -3.883 -0.290 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.728 -1.898 -1.054 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.460 -2.760 -1.009 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.369 -1.771 -1.403 1.00 0.00 C ATOM 0 H TRP A 42 6.516 -8.961 1.225 1.00 0.00 H new ATOM 0 HA TRP A 42 5.615 -6.506 0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.265 -6.610 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.450 -7.275 0.880 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.147 -5.317 1.000 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.233 -2.930 0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.155 -4.601 0.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.435 -1.124 -1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.416 -2.655 -1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.031 -0.917 -1.971 1.00 0.00 H new ATOM 303 N GLN A 43 7.469 -8.217 -1.896 1.00 0.00 N ATOM 304 CA GLN A 43 7.752 -8.318 -3.328 1.00 0.00 C ATOM 305 C GLN A 43 6.536 -8.126 -4.230 1.00 0.00 C ATOM 306 O GLN A 43 6.621 -7.495 -5.287 1.00 0.00 O ATOM 307 CB GLN A 43 8.493 -9.630 -3.656 1.00 0.00 C ATOM 308 CG GLN A 43 7.786 -10.885 -3.100 1.00 0.00 C ATOM 309 CD GLN A 43 7.984 -12.134 -3.954 1.00 0.00 C ATOM 310 OE1 GLN A 43 9.088 -12.496 -4.341 1.00 0.00 O ATOM 311 NE2 GLN A 43 6.922 -12.840 -4.288 1.00 0.00 N ATOM 0 H GLN A 43 7.789 -9.012 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 43 8.406 -7.476 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.589 -9.725 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.503 -9.580 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.155 -11.082 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.719 -10.681 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.997 -12.550 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.026 -13.677 -4.862 1.00 0.00 H new ATOM 320 N ASP A 44 5.390 -8.607 -3.775 1.00 0.00 N ATOM 321 CA ASP A 44 4.164 -8.668 -4.535 1.00 0.00 C ATOM 322 C ASP A 44 3.436 -7.330 -4.491 1.00 0.00 C ATOM 323 O ASP A 44 2.951 -6.845 -5.510 1.00 0.00 O ATOM 324 CB ASP A 44 3.320 -9.769 -3.902 1.00 0.00 C ATOM 325 CG ASP A 44 3.764 -11.183 -4.322 1.00 0.00 C ATOM 326 OD1 ASP A 44 3.576 -11.548 -5.503 1.00 0.00 O ATOM 327 OD2 ASP A 44 4.308 -11.920 -3.465 1.00 0.00 O ATOM 0 H ASP A 44 5.291 -8.978 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 44 4.361 -8.883 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.376 -9.684 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.276 -9.624 -4.180 1.00 0.00 H new ATOM 332 N LEU A 45 3.398 -6.704 -3.315 1.00 0.00 N ATOM 333 CA LEU A 45 2.810 -5.389 -3.126 1.00 0.00 C ATOM 334 C LEU A 45 3.672 -4.244 -3.642 1.00 0.00 C ATOM 335 O LEU A 45 3.126 -3.211 -4.007 1.00 0.00 O ATOM 336 CB LEU A 45 2.583 -5.192 -1.638 1.00 0.00 C ATOM 337 CG LEU A 45 1.318 -5.868 -1.119 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.249 -5.479 0.343 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.032 -5.394 -1.799 1.00 0.00 C ATOM 0 H LEU A 45 3.781 -7.106 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 45 1.885 -5.362 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.443 -5.581 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.528 -4.124 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 45 1.378 -6.939 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.364 -5.925 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.140 -5.838 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.193 -4.394 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.821 -5.923 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.090 -4.322 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.089 -5.599 -2.868 1.00 0.00 H new ATOM 351 N LYS A 46 4.992 -4.415 -3.688 1.00 0.00 N ATOM 352 CA LYS A 46 5.940 -3.530 -4.370 1.00 0.00 C ATOM 353 C LYS A 46 5.660 -3.631 -5.846 1.00 0.00 C ATOM 354 O LYS A 46 5.496 -2.606 -6.499 1.00 0.00 O ATOM 355 CB LYS A 46 7.350 -4.015 -4.003 1.00 0.00 C ATOM 356 CG LYS A 46 8.507 -3.156 -4.503 1.00 0.00 C ATOM 357 CD LYS A 46 8.909 -3.438 -5.949 1.00 0.00 C ATOM 358 CE LYS A 46 9.563 -4.818 -6.154 1.00 0.00 C ATOM 359 NZ LYS A 46 9.625 -5.217 -7.592 1.00 0.00 N ATOM 0 H LYS A 46 5.451 -5.205 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 46 5.850 -2.484 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.418 -4.083 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.478 -5.024 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.232 -2.105 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.371 -3.317 -3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.025 -3.367 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.602 -2.665 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.572 -4.803 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.002 -5.568 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.371 -5.930 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.709 -5.617 -7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.838 -4.383 -8.175 1.00 0.00 H new ATOM 373 N ASP A 47 5.533 -4.850 -6.357 1.00 0.00 N ATOM 374 CA ASP A 47 5.101 -5.041 -7.736 1.00 0.00 C ATOM 375 C ASP A 47 3.785 -4.342 -8.015 1.00 0.00 C ATOM 376 O ASP A 47 3.798 -3.450 -8.853 1.00 0.00 O ATOM 377 CB ASP A 47 5.098 -6.524 -8.118 1.00 0.00 C ATOM 378 CG ASP A 47 6.221 -6.840 -9.119 1.00 0.00 C ATOM 379 OD1 ASP A 47 7.384 -6.429 -8.878 1.00 0.00 O ATOM 380 OD2 ASP A 47 5.923 -7.482 -10.154 1.00 0.00 O ATOM 0 H ASP A 47 5.720 -5.712 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 47 5.831 -4.562 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.222 -7.133 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.134 -6.789 -8.553 1.00 0.00 H new ATOM 385 N LEU A 48 2.711 -4.609 -7.263 1.00 0.00 N ATOM 386 CA LEU A 48 1.464 -3.866 -7.447 1.00 0.00 C ATOM 387 C LEU A 48 1.685 -2.363 -7.343 1.00 0.00 C ATOM 388 O LEU A 48 1.278 -1.627 -8.231 1.00 0.00 O ATOM 389 CB LEU A 48 0.306 -4.351 -6.566 1.00 0.00 C ATOM 390 CG LEU A 48 -1.005 -3.605 -6.922 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.249 -4.382 -6.530 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.128 -2.273 -6.222 1.00 0.00 C ATOM 0 H LEU A 48 2.681 -5.322 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 48 1.143 -4.082 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.167 -5.424 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.549 -4.188 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.943 -3.479 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.136 -3.811 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.259 -5.339 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.246 -4.554 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.065 -1.796 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.115 -2.426 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.293 -1.633 -6.508 1.00 0.00 H new ATOM 404 N ALA A 49 2.323 -1.868 -6.294 1.00 0.00 N ATOM 405 CA ALA A 49 2.540 -0.442 -6.121 1.00 0.00 C ATOM 406 C ALA A 49 3.222 0.199 -7.341 1.00 0.00 C ATOM 407 O ALA A 49 2.864 1.301 -7.764 1.00 0.00 O ATOM 408 CB ALA A 49 3.340 -0.269 -4.838 1.00 0.00 C ATOM 0 H ALA A 49 2.703 -2.442 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 49 1.588 0.082 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.528 0.791 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.776 -0.678 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.290 -0.796 -4.928 1.00 0.00 H new ATOM 414 N ARG A 50 4.129 -0.526 -7.995 1.00 0.00 N ATOM 415 CA ARG A 50 4.809 -0.091 -9.219 1.00 0.00 C ATOM 416 C ARG A 50 4.026 -0.405 -10.512 1.00 0.00 C ATOM 417 O ARG A 50 4.296 0.188 -11.552 1.00 0.00 O ATOM 418 CB ARG A 50 6.274 -0.529 -9.095 1.00 0.00 C ATOM 419 CG ARG A 50 6.927 0.333 -7.978 1.00 0.00 C ATOM 420 CD ARG A 50 7.348 -0.309 -6.657 1.00 0.00 C ATOM 421 NE ARG A 50 8.267 0.589 -5.926 1.00 0.00 N ATOM 422 CZ ARG A 50 8.171 1.050 -4.689 1.00 0.00 C ATOM 423 NH1 ARG A 50 7.230 0.698 -3.863 1.00 0.00 N ATOM 424 NH2 ARG A 50 9.027 1.938 -4.295 1.00 0.00 N ATOM 0 H ARG A 50 4.419 -1.453 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 50 4.831 0.993 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.338 -1.589 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.797 -0.390 -10.041 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.814 0.800 -8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.229 1.135 -7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.468 -0.516 -6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.836 -1.265 -6.847 1.00 0.00 H new ATOM 0 HE ARG A 50 9.089 0.896 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.515 0.033 -4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.207 1.087 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.752 2.265 -4.933 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.976 2.310 -3.347 1.00 0.00 H new ATOM 438 N GLU A 51 2.981 -1.228 -10.405 1.00 0.00 N ATOM 439 CA GLU A 51 1.882 -1.344 -11.397 1.00 0.00 C ATOM 440 C GLU A 51 1.032 -0.062 -11.389 1.00 0.00 C ATOM 441 O GLU A 51 0.465 0.358 -12.404 1.00 0.00 O ATOM 442 CB GLU A 51 0.871 -2.478 -11.115 1.00 0.00 C ATOM 443 CG GLU A 51 1.427 -3.901 -11.105 1.00 0.00 C ATOM 444 CD GLU A 51 1.574 -4.542 -12.496 1.00 0.00 C ATOM 445 OE1 GLU A 51 2.676 -4.473 -13.082 1.00 0.00 O ATOM 446 OE2 GLU A 51 0.651 -5.271 -12.922 1.00 0.00 O ATOM 0 H GLU A 51 2.862 -1.854 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 51 2.396 -1.539 -12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.405 -2.287 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.082 -2.426 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.402 -3.892 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.774 -4.528 -10.498 1.00 0.00 H new ATOM 453 N ASN A 52 0.958 0.535 -10.202 1.00 0.00 N ATOM 454 CA ASN A 52 0.031 1.579 -9.800 1.00 0.00 C ATOM 455 C ASN A 52 0.657 2.970 -9.580 1.00 0.00 C ATOM 456 O ASN A 52 -0.067 3.936 -9.325 1.00 0.00 O ATOM 457 CB ASN A 52 -0.618 0.999 -8.529 1.00 0.00 C ATOM 458 CG ASN A 52 -1.882 0.231 -8.854 1.00 0.00 C ATOM 459 OD1 ASN A 52 -2.972 0.772 -8.945 1.00 0.00 O ATOM 460 ND2 ASN A 52 -1.763 -1.055 -9.061 1.00 0.00 N ATOM 0 H ASN A 52 1.592 0.280 -9.444 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.684 1.800 -10.593 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.090 0.341 -8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.850 1.808 -7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.584 -1.611 -9.300 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.849 -1.502 -8.984 1.00 0.00 H new ATOM 467 N SER A 53 1.984 3.086 -9.694 1.00 0.00 N ATOM 468 CA SER A 53 2.766 4.324 -9.513 1.00 0.00 C ATOM 469 C SER A 53 2.686 4.915 -8.093 1.00 0.00 C ATOM 470 O SER A 53 2.871 6.118 -7.897 1.00 0.00 O ATOM 471 CB SER A 53 2.456 5.358 -10.616 1.00 0.00 C ATOM 472 OG SER A 53 2.689 4.809 -11.908 1.00 0.00 O ATOM 0 H SER A 53 2.573 2.286 -9.925 1.00 0.00 H new ATOM 0 HA SER A 53 3.812 4.037 -9.626 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.418 5.681 -10.536 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.077 6.243 -10.475 1.00 0.00 H new ATOM 0 HG SER A 53 2.484 5.481 -12.591 1.00 0.00 H new ATOM 478 N LEU A 54 2.435 4.058 -7.100 1.00 0.00 N ATOM 479 CA LEU A 54 2.553 4.365 -5.661 1.00 0.00 C ATOM 480 C LEU A 54 3.956 4.897 -5.354 1.00 0.00 C ATOM 481 O LEU A 54 4.089 5.979 -4.800 1.00 0.00 O ATOM 482 CB LEU A 54 2.305 3.069 -4.838 1.00 0.00 C ATOM 483 CG LEU A 54 0.929 2.781 -4.201 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.036 2.575 -2.687 1.00 0.00 C ATOM 485 CD2 LEU A 54 -0.136 3.828 -4.506 1.00 0.00 C ATOM 0 H LEU A 54 2.134 3.099 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 54 1.815 5.122 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.537 2.227 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.038 3.058 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 54 0.600 1.855 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.046 2.375 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.692 1.730 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.445 3.474 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.071 3.548 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.191 4.799 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.290 3.887 -5.583 1.00 0.00 H new ATOM 497 N GLU A 55 4.990 4.144 -5.742 1.00 0.00 N ATOM 498 CA GLU A 55 6.384 4.327 -5.356 1.00 0.00 C ATOM 499 C GLU A 55 6.573 4.940 -3.946 1.00 0.00 C ATOM 500 O GLU A 55 7.110 6.029 -3.730 1.00 0.00 O ATOM 501 CB GLU A 55 7.180 4.991 -6.468 1.00 0.00 C ATOM 502 CG GLU A 55 8.650 4.970 -6.048 1.00 0.00 C ATOM 503 CD GLU A 55 9.571 4.281 -7.067 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.970 4.911 -8.069 1.00 0.00 O ATOM 505 OE2 GLU A 55 9.894 3.089 -6.829 1.00 0.00 O ATOM 0 H GLU A 55 4.865 3.348 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 55 6.820 3.335 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.042 4.460 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.840 6.014 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.991 5.994 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.738 4.460 -5.089 1.00 0.00 H new ATOM 512 N THR A 56 6.091 4.172 -2.982 1.00 0.00 N ATOM 513 CA THR A 56 6.297 4.350 -1.548 1.00 0.00 C ATOM 514 C THR A 56 7.754 4.021 -1.150 1.00 0.00 C ATOM 515 O THR A 56 8.529 3.510 -1.965 1.00 0.00 O ATOM 516 CB THR A 56 5.380 3.378 -0.801 1.00 0.00 C ATOM 517 OG1 THR A 56 5.694 2.073 -1.253 1.00 0.00 O ATOM 518 CG2 THR A 56 3.890 3.626 -1.007 1.00 0.00 C ATOM 0 H THR A 56 5.511 3.359 -3.189 1.00 0.00 H new ATOM 0 HA THR A 56 6.080 5.388 -1.294 1.00 0.00 H new ATOM 0 HB THR A 56 5.557 3.518 0.265 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.015 1.777 -1.894 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.317 2.891 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.637 4.628 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.649 3.536 -2.066 1.00 0.00 H new ATOM 526 N THR A 57 8.139 4.243 0.101 1.00 0.00 N ATOM 527 CA THR A 57 9.484 3.908 0.611 1.00 0.00 C ATOM 528 C THR A 57 9.636 2.404 0.803 1.00 0.00 C ATOM 529 O THR A 57 10.611 1.799 0.350 1.00 0.00 O ATOM 530 CB THR A 57 9.733 4.525 2.003 1.00 0.00 C ATOM 531 OG1 THR A 57 9.340 5.872 2.048 1.00 0.00 O ATOM 532 CG2 THR A 57 11.196 4.466 2.442 1.00 0.00 C ATOM 0 H THR A 57 7.530 4.663 0.803 1.00 0.00 H new ATOM 0 HA THR A 57 10.186 4.297 -0.127 1.00 0.00 H new ATOM 0 HB THR A 57 9.133 3.919 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.888 6.053 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.298 4.917 3.429 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.522 3.427 2.483 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.812 5.012 1.728 1.00 0.00 H new ATOM 540 N PHE A 58 8.669 1.817 1.516 1.00 0.00 N ATOM 541 CA PHE A 58 8.732 0.466 2.057 1.00 0.00 C ATOM 542 C PHE A 58 7.375 0.010 2.587 1.00 0.00 C ATOM 543 O PHE A 58 6.468 0.833 2.722 1.00 0.00 O ATOM 544 CB PHE A 58 9.753 0.479 3.216 1.00 0.00 C ATOM 545 CG PHE A 58 9.269 0.642 4.651 1.00 0.00 C ATOM 546 CD1 PHE A 58 9.121 1.921 5.219 1.00 0.00 C ATOM 547 CD2 PHE A 58 9.037 -0.498 5.445 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.726 2.058 6.562 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.616 -0.361 6.782 1.00 0.00 C ATOM 550 CZ PHE A 58 8.460 0.919 7.344 1.00 0.00 C ATOM 0 H PHE A 58 7.793 2.291 1.737 1.00 0.00 H new ATOM 0 HA PHE A 58 9.027 -0.226 1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.313 -0.455 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.459 1.285 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.311 2.800 4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.183 -1.483 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.626 3.042 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.413 -1.240 7.376 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.138 1.027 8.369 1.00 0.00 H new ATOM 560 N SER A 59 7.269 -1.268 2.958 1.00 0.00 N ATOM 561 CA SER A 59 6.123 -1.804 3.689 1.00 0.00 C ATOM 562 C SER A 59 6.488 -2.935 4.664 1.00 0.00 C ATOM 563 O SER A 59 7.402 -3.726 4.410 1.00 0.00 O ATOM 564 CB SER A 59 5.119 -2.352 2.693 1.00 0.00 C ATOM 565 OG SER A 59 4.057 -3.025 3.327 1.00 0.00 O ATOM 0 H SER A 59 7.985 -1.966 2.756 1.00 0.00 H new ATOM 0 HA SER A 59 5.718 -0.981 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.722 -1.534 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.623 -3.035 2.009 1.00 0.00 H new ATOM 0 HG SER A 59 3.416 -3.333 2.653 1.00 0.00 H new ATOM 571 N SER A 60 5.731 -3.024 5.753 1.00 0.00 N ATOM 572 CA SER A 60 5.696 -4.188 6.647 1.00 0.00 C ATOM 573 C SER A 60 4.680 -5.178 6.069 1.00 0.00 C ATOM 574 O SER A 60 3.483 -4.880 6.053 1.00 0.00 O ATOM 575 CB SER A 60 5.233 -3.772 8.041 1.00 0.00 C ATOM 576 OG SER A 60 5.484 -4.801 8.992 1.00 0.00 O ATOM 0 H SER A 60 5.108 -2.273 6.050 1.00 0.00 H new ATOM 0 HA SER A 60 6.690 -4.630 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.749 -2.860 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.167 -3.543 8.021 1.00 0.00 H new ATOM 0 HG SER A 60 5.180 -4.510 9.877 1.00 0.00 H new ATOM 582 N VAL A 61 5.129 -6.343 5.598 1.00 0.00 N ATOM 583 CA VAL A 61 4.254 -7.383 5.017 1.00 0.00 C ATOM 584 C VAL A 61 4.608 -8.752 5.594 1.00 0.00 C ATOM 585 O VAL A 61 5.672 -8.912 6.187 1.00 0.00 O ATOM 586 CB VAL A 61 4.313 -7.425 3.465 1.00 0.00 C ATOM 587 CG1 VAL A 61 3.060 -8.037 2.817 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.430 -6.037 2.852 1.00 0.00 C ATOM 0 H VAL A 61 6.116 -6.601 5.606 1.00 0.00 H new ATOM 0 HA VAL A 61 3.231 -7.122 5.288 1.00 0.00 H new ATOM 0 HB VAL A 61 5.192 -8.038 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.172 -8.033 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.934 -9.062 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.184 -7.450 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.468 -6.121 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.566 -5.438 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.340 -5.556 3.211 1.00 0.00 H new ATOM 701 N THR A 69 -1.428 -8.972 5.681 1.00 0.00 N ATOM 702 CA THR A 69 -1.623 -7.629 5.069 1.00 0.00 C ATOM 703 C THR A 69 -0.268 -7.004 4.698 1.00 0.00 C ATOM 704 O THR A 69 0.789 -7.519 5.076 1.00 0.00 O ATOM 705 CB THR A 69 -2.461 -6.658 5.935 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.727 -6.095 6.996 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.675 -7.353 6.530 1.00 0.00 C ATOM 0 HA THR A 69 -2.207 -7.793 4.164 1.00 0.00 H new ATOM 0 HB THR A 69 -2.768 -5.863 5.255 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.304 -5.490 7.508 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.242 -6.643 7.132 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.307 -7.733 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.348 -8.182 7.158 1.00 0.00 H new ATOM 715 N GLY A 70 -0.270 -5.880 3.981 1.00 0.00 N ATOM 716 CA GLY A 70 0.941 -5.083 3.781 1.00 0.00 C ATOM 717 C GLY A 70 0.690 -3.628 4.090 1.00 0.00 C ATOM 718 O GLY A 70 -0.306 -3.060 3.649 1.00 0.00 O ATOM 0 H GLY A 70 -1.100 -5.499 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.739 -5.461 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.282 -5.186 2.751 1.00 0.00 H new ATOM 722 N ALA A 71 1.585 -3.033 4.865 1.00 0.00 N ATOM 723 CA ALA A 71 1.390 -1.712 5.425 1.00 0.00 C ATOM 724 C ALA A 71 2.580 -0.788 5.103 1.00 0.00 C ATOM 725 O ALA A 71 3.678 -0.966 5.621 1.00 0.00 O ATOM 726 CB ALA A 71 1.042 -1.898 6.905 1.00 0.00 C ATOM 0 H ALA A 71 2.474 -3.461 5.123 1.00 0.00 H new ATOM 0 HA ALA A 71 0.555 -1.179 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.886 -0.923 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.132 -2.491 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.860 -2.412 7.409 1.00 0.00 H new ATOM 732 N LEU A 72 2.361 0.109 4.137 1.00 0.00 N ATOM 733 CA LEU A 72 3.344 0.942 3.434 1.00 0.00 C ATOM 734 C LEU A 72 3.629 2.262 4.175 1.00 0.00 C ATOM 735 O LEU A 72 2.789 2.732 4.934 1.00 0.00 O ATOM 736 CB LEU A 72 2.778 1.321 2.067 1.00 0.00 C ATOM 737 CG LEU A 72 2.610 0.268 0.972 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.948 -0.073 0.327 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.839 -0.988 1.363 1.00 0.00 C ATOM 0 H LEU A 72 1.415 0.286 3.798 1.00 0.00 H new ATOM 0 HA LEU A 72 4.265 0.363 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.797 1.765 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.417 2.106 1.662 1.00 0.00 H new ATOM 0 HG LEU A 72 1.965 0.748 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.797 -0.824 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.377 0.825 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.628 -0.464 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.783 -1.662 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.350 -1.487 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.831 -0.714 1.675 1.00 0.00 H new ATOM 751 N GLU A 73 4.732 2.931 3.838 1.00 0.00 N ATOM 752 CA GLU A 73 5.103 4.271 4.371 1.00 0.00 C ATOM 753 C GLU A 73 5.617 5.249 3.278 1.00 0.00 C ATOM 754 O GLU A 73 6.162 4.809 2.258 1.00 0.00 O ATOM 755 CB GLU A 73 6.205 4.069 5.426 1.00 0.00 C ATOM 756 CG GLU A 73 6.689 5.341 6.163 1.00 0.00 C ATOM 757 CD GLU A 73 8.110 5.808 5.762 1.00 0.00 C ATOM 758 OE1 GLU A 73 8.385 5.999 4.564 1.00 0.00 O ATOM 759 OE2 GLU A 73 8.942 6.037 6.670 1.00 0.00 O ATOM 0 H GLU A 73 5.415 2.562 3.176 1.00 0.00 H new ATOM 0 HA GLU A 73 4.206 4.723 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.841 3.360 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.064 3.607 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.985 6.150 5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.670 5.154 7.237 1.00 0.00 H new ATOM 766 N PHE A 74 5.484 6.571 3.497 1.00 0.00 N ATOM 767 CA PHE A 74 6.185 7.599 2.712 1.00 0.00 C ATOM 768 C PHE A 74 6.481 8.921 3.462 1.00 0.00 C ATOM 769 O PHE A 74 5.707 9.316 4.344 1.00 0.00 O ATOM 770 CB PHE A 74 5.405 7.989 1.439 1.00 0.00 C ATOM 771 CG PHE A 74 6.333 8.449 0.328 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.258 7.549 -0.220 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.393 9.804 -0.056 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.224 7.977 -1.141 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.362 10.245 -0.970 1.00 0.00 C ATOM 776 CZ PHE A 74 8.278 9.330 -1.524 1.00 0.00 C ATOM 0 H PHE A 74 4.884 6.955 4.227 1.00 0.00 H new ATOM 0 HA PHE A 74 7.132 7.111 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.821 7.136 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.698 8.785 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.226 6.510 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.687 10.509 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.926 7.269 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.405 11.287 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.017 9.664 -2.238 1.00 0.00 H new ATOM 786 N PRO A 75 7.536 9.665 3.060 1.00 0.00 N ATOM 787 CA PRO A 75 7.822 11.060 3.414 1.00 0.00 C ATOM 788 C PRO A 75 6.734 12.133 3.190 1.00 0.00 C ATOM 789 O PRO A 75 6.970 13.276 3.599 1.00 0.00 O ATOM 790 CB PRO A 75 9.049 11.416 2.566 1.00 0.00 C ATOM 791 CG PRO A 75 9.857 10.131 2.608 1.00 0.00 C ATOM 792 CD PRO A 75 8.760 9.077 2.511 1.00 0.00 C ATOM 0 HA PRO A 75 7.936 11.087 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.774 11.690 1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.602 12.257 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.564 10.064 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.434 10.039 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.609 8.775 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.038 8.182 3.067 1.00 0.00 H new ATOM 800 N SER A 76 5.591 11.820 2.563 1.00 0.00 N ATOM 801 CA SER A 76 4.497 12.766 2.279 1.00 0.00 C ATOM 802 C SER A 76 3.149 12.071 2.168 1.00 0.00 C ATOM 803 O SER A 76 3.015 11.133 1.384 1.00 0.00 O ATOM 804 CB SER A 76 4.682 13.411 0.897 1.00 0.00 C ATOM 805 OG SER A 76 5.859 14.181 0.775 1.00 0.00 O ATOM 0 H SER A 76 5.394 10.876 2.229 1.00 0.00 H new ATOM 0 HA SER A 76 4.522 13.482 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.693 12.627 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.821 14.046 0.686 1.00 0.00 H new ATOM 0 HG SER A 76 5.753 14.827 0.045 1.00 0.00 H new ATOM 811 N GLU A 77 2.115 12.604 2.821 1.00 0.00 N ATOM 812 CA GLU A 77 0.729 12.121 2.694 1.00 0.00 C ATOM 813 C GLU A 77 0.195 12.088 1.260 1.00 0.00 C ATOM 814 O GLU A 77 -0.767 11.379 0.987 1.00 0.00 O ATOM 815 CB GLU A 77 -0.241 12.886 3.601 1.00 0.00 C ATOM 816 CG GLU A 77 -0.221 14.408 3.409 1.00 0.00 C ATOM 817 CD GLU A 77 -1.180 15.114 4.393 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.096 14.859 5.628 1.00 0.00 O ATOM 819 OE2 GLU A 77 -2.016 15.934 3.946 1.00 0.00 O ATOM 0 H GLU A 77 2.212 13.392 3.461 1.00 0.00 H new ATOM 0 HA GLU A 77 0.782 11.085 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.252 12.522 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.003 12.660 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.793 14.781 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.505 14.651 2.385 1.00 0.00 H new ATOM 826 N GLU A 78 0.845 12.790 0.326 1.00 0.00 N ATOM 827 CA GLU A 78 0.610 12.684 -1.112 1.00 0.00 C ATOM 828 C GLU A 78 0.464 11.216 -1.553 1.00 0.00 C ATOM 829 O GLU A 78 -0.540 10.862 -2.176 1.00 0.00 O ATOM 830 CB GLU A 78 1.787 13.339 -1.863 1.00 0.00 C ATOM 831 CG GLU A 78 1.963 14.841 -1.587 1.00 0.00 C ATOM 832 CD GLU A 78 3.243 15.378 -2.261 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.229 15.621 -3.495 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.269 15.565 -1.565 1.00 0.00 O ATOM 0 H GLU A 78 1.571 13.467 0.560 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.322 13.197 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.707 12.822 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.644 13.194 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.095 15.387 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.013 15.014 -0.512 1.00 0.00 H new ATOM 841 N ILE A 79 1.422 10.353 -1.183 1.00 0.00 N ATOM 842 CA ILE A 79 1.511 8.935 -1.597 1.00 0.00 C ATOM 843 C ILE A 79 0.487 8.058 -0.860 1.00 0.00 C ATOM 844 O ILE A 79 -0.102 7.133 -1.430 1.00 0.00 O ATOM 845 CB ILE A 79 2.974 8.438 -1.431 1.00 0.00 C ATOM 846 CG1 ILE A 79 3.901 9.415 -2.208 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.159 6.957 -1.822 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.083 8.860 -2.997 1.00 0.00 C ATOM 0 H ILE A 79 2.186 10.628 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 79 1.249 8.853 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 79 3.250 8.452 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.276 9.974 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.296 10.132 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.202 6.672 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.525 6.333 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.881 6.819 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.619 9.680 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.756 8.332 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.720 8.171 -3.759 1.00 0.00 H new ATOM 860 N LEU A 80 0.203 8.421 0.390 1.00 0.00 N ATOM 861 CA LEU A 80 -0.853 7.830 1.209 1.00 0.00 C ATOM 862 C LEU A 80 -2.222 8.023 0.542 1.00 0.00 C ATOM 863 O LEU A 80 -2.932 7.055 0.273 1.00 0.00 O ATOM 864 CB LEU A 80 -0.771 8.454 2.626 1.00 0.00 C ATOM 865 CG LEU A 80 -2.055 8.802 3.415 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.884 7.604 3.833 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.722 9.501 4.725 1.00 0.00 C ATOM 0 H LEU A 80 0.717 9.157 0.875 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.719 6.752 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.191 7.769 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.191 9.372 2.538 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.615 9.423 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.764 7.943 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.198 7.052 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.287 6.954 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.644 9.733 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.103 8.847 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.180 10.424 4.518 1.00 0.00 H new ATOM 879 N VAL A 81 -2.567 9.277 0.238 1.00 0.00 N ATOM 880 CA VAL A 81 -3.882 9.687 -0.269 1.00 0.00 C ATOM 881 C VAL A 81 -4.081 9.144 -1.663 1.00 0.00 C ATOM 882 O VAL A 81 -5.162 8.650 -1.982 1.00 0.00 O ATOM 883 CB VAL A 81 -4.023 11.224 -0.284 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.320 11.711 -0.938 1.00 0.00 C ATOM 885 CG2 VAL A 81 -4.024 11.797 1.129 1.00 0.00 C ATOM 0 H VAL A 81 -1.921 10.059 0.340 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.644 9.283 0.397 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.165 11.567 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.353 12.800 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.356 11.370 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.175 11.310 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.125 12.881 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.859 11.379 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.088 11.541 1.626 1.00 0.00 H new ATOM 895 N GLU A 82 -3.005 9.151 -2.443 1.00 0.00 N ATOM 896 CA GLU A 82 -2.920 8.458 -3.692 1.00 0.00 C ATOM 897 C GLU A 82 -3.413 7.019 -3.515 1.00 0.00 C ATOM 898 O GLU A 82 -4.514 6.714 -3.945 1.00 0.00 O ATOM 899 CB GLU A 82 -1.448 8.515 -4.077 1.00 0.00 C ATOM 900 CG GLU A 82 -1.086 9.572 -5.118 1.00 0.00 C ATOM 901 CD GLU A 82 -1.799 9.367 -6.466 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.261 8.643 -7.329 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.904 9.931 -6.650 1.00 0.00 O ATOM 0 H GLU A 82 -2.153 9.657 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.540 8.901 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.861 8.699 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.151 7.538 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.338 10.558 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.008 9.559 -5.279 1.00 0.00 H new ATOM 910 N ALA A 83 -2.692 6.161 -2.785 1.00 0.00 N ATOM 911 CA ALA A 83 -3.111 4.765 -2.571 1.00 0.00 C ATOM 912 C ALA A 83 -4.556 4.614 -2.051 1.00 0.00 C ATOM 913 O ALA A 83 -5.293 3.763 -2.547 1.00 0.00 O ATOM 914 CB ALA A 83 -2.116 4.118 -1.616 1.00 0.00 C ATOM 0 H ALA A 83 -1.813 6.407 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.112 4.263 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.403 3.081 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.118 4.149 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.114 4.660 -0.670 1.00 0.00 H new ATOM 920 N LEU A 84 -4.997 5.487 -1.137 1.00 0.00 N ATOM 921 CA LEU A 84 -6.370 5.507 -0.590 1.00 0.00 C ATOM 922 C LEU A 84 -7.420 5.786 -1.664 1.00 0.00 C ATOM 923 O LEU A 84 -8.577 5.396 -1.508 1.00 0.00 O ATOM 924 CB LEU A 84 -6.565 6.549 0.527 1.00 0.00 C ATOM 925 CG LEU A 84 -5.717 6.486 1.800 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.553 6.918 2.994 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.173 5.100 2.061 1.00 0.00 C ATOM 0 H LEU A 84 -4.401 6.217 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.506 4.507 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.407 7.532 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.610 6.502 0.833 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.871 7.158 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.947 6.872 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.903 7.939 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.410 6.253 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.579 5.108 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.001 4.399 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.547 4.791 1.224 1.00 0.00 H new ATOM 939 N GLU A 85 -7.019 6.429 -2.755 1.00 0.00 N ATOM 940 CA GLU A 85 -7.856 6.594 -3.925 1.00 0.00 C ATOM 941 C GLU A 85 -7.524 5.679 -5.122 1.00 0.00 C ATOM 942 O GLU A 85 -8.321 5.594 -6.057 1.00 0.00 O ATOM 943 CB GLU A 85 -7.771 8.029 -4.435 1.00 0.00 C ATOM 944 CG GLU A 85 -8.186 9.159 -3.498 1.00 0.00 C ATOM 945 CD GLU A 85 -7.962 10.476 -4.279 1.00 0.00 C ATOM 946 OE1 GLU A 85 -8.797 10.812 -5.149 1.00 0.00 O ATOM 947 OE2 GLU A 85 -6.911 11.135 -4.120 1.00 0.00 O ATOM 0 H GLU A 85 -6.095 6.852 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.850 6.320 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.741 8.212 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.386 8.099 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.230 9.055 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.593 9.144 -2.584 1.00 0.00 H new ATOM 954 N ARG A 86 -6.372 4.996 -5.127 1.00 0.00 N ATOM 955 CA ARG A 86 -5.819 4.314 -6.293 1.00 0.00 C ATOM 956 C ARG A 86 -5.861 2.802 -6.157 1.00 0.00 C ATOM 957 O ARG A 86 -5.959 2.111 -7.171 1.00 0.00 O ATOM 958 CB ARG A 86 -4.374 4.809 -6.467 1.00 0.00 C ATOM 959 CG ARG A 86 -4.156 5.828 -7.585 1.00 0.00 C ATOM 960 CD ARG A 86 -4.602 7.255 -7.219 1.00 0.00 C ATOM 961 NE ARG A 86 -5.923 7.703 -7.695 1.00 0.00 N ATOM 962 CZ ARG A 86 -6.436 8.881 -7.351 1.00 0.00 C ATOM 963 NH1 ARG A 86 -5.730 9.803 -6.748 1.00 0.00 N ATOM 964 NH2 ARG A 86 -7.689 9.167 -7.560 1.00 0.00 N ATOM 0 H ARG A 86 -5.788 4.903 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.423 4.547 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.045 5.252 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.734 3.947 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.098 5.844 -7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.700 5.503 -8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.590 7.342 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.854 7.949 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.461 7.090 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.750 9.631 -6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.160 10.694 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.303 8.480 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.057 10.078 -7.286 1.00 0.00 H new ATOM 978 N LEU A 87 -5.803 2.304 -4.922 1.00 0.00 N ATOM 979 CA LEU A 87 -5.730 0.907 -4.550 1.00 0.00 C ATOM 980 C LEU A 87 -6.896 0.494 -3.638 1.00 0.00 C ATOM 981 O LEU A 87 -6.972 -0.660 -3.222 1.00 0.00 O ATOM 982 CB LEU A 87 -4.378 0.666 -3.860 1.00 0.00 C ATOM 983 CG LEU A 87 -3.172 0.539 -4.780 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.848 1.760 -5.600 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.935 0.093 -4.007 1.00 0.00 C ATOM 0 H LEU A 87 -5.807 2.915 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.810 0.291 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.196 1.486 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.453 -0.244 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.469 -0.225 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.973 1.561 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.696 2.005 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.640 2.599 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.089 0.011 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.706 0.825 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.124 -0.876 -3.546 1.00 0.00 H new ATOM 997 N ASN A 88 -7.818 1.402 -3.307 1.00 0.00 N ATOM 998 CA ASN A 88 -8.912 1.070 -2.401 1.00 0.00 C ATOM 999 C ASN A 88 -10.009 0.233 -3.087 1.00 0.00 C ATOM 1000 O ASN A 88 -10.850 0.754 -3.818 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.446 2.322 -1.708 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.328 1.948 -0.540 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.175 0.903 0.076 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.267 2.788 -0.190 1.00 0.00 N ATOM 0 H ASN A 88 -7.827 2.362 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.514 0.425 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.614 2.935 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.011 2.925 -2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.875 2.573 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.391 3.659 -0.707 1.00 0.00 H new ATOM 1011 N ASN A 89 -9.980 -1.071 -2.810 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.859 -2.106 -3.351 1.00 0.00 C ATOM 1013 C ASN A 89 -10.650 -2.295 -4.872 1.00 0.00 C ATOM 1014 O ASN A 89 -11.574 -2.178 -5.680 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.277 -1.936 -2.788 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.077 -3.223 -2.866 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.932 -3.415 -3.717 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.820 -4.150 -1.965 1.00 0.00 N ATOM 0 H ASN A 89 -9.296 -1.457 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.591 -3.102 -2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.218 -1.608 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.795 -1.153 -3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.336 -5.030 -1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.106 -3.987 -1.255 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.388 -2.574 -5.229 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.903 -2.843 -6.598 1.00 0.00 C ATOM 1027 C ILE A 90 -8.494 -4.290 -6.741 1.00 0.00 C ATOM 1028 O ILE A 90 -8.008 -4.900 -5.794 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.716 -1.934 -7.015 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.389 -2.230 -6.278 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.166 -0.472 -6.919 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.174 -1.801 -7.100 1.00 0.00 C ATOM 0 H ILE A 90 -8.638 -2.621 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.737 -2.619 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.459 -2.161 -8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.382 -1.710 -5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.323 -3.296 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.343 0.182 -7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.012 -0.307 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.463 -0.249 -5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.262 -2.026 -6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.166 -2.341 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.226 -0.730 -7.293 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.637 -4.820 -7.950 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.109 -6.123 -8.308 1.00 0.00 C ATOM 1046 C GLU A 91 -6.612 -6.056 -8.656 1.00 0.00 C ATOM 1047 O GLU A 91 -6.140 -5.282 -9.488 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.001 -6.727 -9.369 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.544 -8.073 -9.934 1.00 0.00 C ATOM 1050 CD GLU A 91 -7.853 -7.960 -11.312 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -8.544 -7.750 -12.329 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -6.611 -8.111 -11.358 1.00 0.00 O ATOM 0 H GLU A 91 -9.127 -4.351 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.133 -6.802 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.000 -6.850 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.086 -6.018 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.856 -8.540 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.407 -8.733 -10.022 1.00 0.00 H new ATOM 1059 N PHE A 92 -5.894 -6.894 -7.928 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.449 -7.057 -7.825 1.00 0.00 C ATOM 1061 C PHE A 92 -3.980 -8.313 -8.575 1.00 0.00 C ATOM 1062 O PHE A 92 -3.837 -9.379 -7.971 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.138 -7.149 -6.328 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.728 -7.480 -5.839 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.615 -7.600 -6.702 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.538 -7.658 -4.454 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.334 -7.835 -6.181 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.254 -7.881 -3.936 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.150 -7.926 -4.798 1.00 0.00 C ATOM 0 H PHE A 92 -6.368 -7.560 -7.318 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.921 -6.220 -8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.414 -6.192 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.807 -7.900 -5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.752 -7.510 -7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.387 -7.622 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.509 -7.945 -6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.116 -8.018 -2.874 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.846 -8.031 -4.393 1.00 0.00 H new ATOM 1079 N ARG A 93 -3.736 -8.196 -9.887 1.00 0.00 N ATOM 1080 CA ARG A 93 -3.305 -9.294 -10.786 1.00 0.00 C ATOM 1081 C ARG A 93 -4.091 -10.624 -10.638 1.00 0.00 C ATOM 1082 O ARG A 93 -3.572 -11.691 -10.971 1.00 0.00 O ATOM 1083 CB ARG A 93 -1.780 -9.509 -10.657 1.00 0.00 C ATOM 1084 CG ARG A 93 -0.917 -8.310 -11.087 1.00 0.00 C ATOM 1085 CD ARG A 93 0.555 -8.709 -10.928 1.00 0.00 C ATOM 1086 NE ARG A 93 1.500 -7.693 -11.431 1.00 0.00 N ATOM 1087 CZ ARG A 93 2.806 -7.714 -11.217 1.00 0.00 C ATOM 1088 NH1 ARG A 93 3.385 -8.637 -10.506 1.00 0.00 N ATOM 1089 NH2 ARG A 93 3.610 -6.816 -11.702 1.00 0.00 N ATOM 0 H ARG A 93 -3.834 -7.306 -10.376 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.549 -8.965 -11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.549 -9.751 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.498 -10.374 -11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.129 -8.038 -12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.144 -7.437 -10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.761 -8.894 -9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.728 -9.647 -11.456 1.00 0.00 H new ATOM 0 HE ARG A 93 1.121 -6.922 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.829 -9.383 -10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.395 -8.615 -10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.241 -6.056 -12.273 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.611 -6.871 -11.512 1.00 0.00 H new ATOM 1103 N GLY A 94 -5.317 -10.579 -10.105 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.147 -11.748 -9.775 1.00 0.00 C ATOM 1105 C GLY A 94 -6.604 -11.855 -8.306 1.00 0.00 C ATOM 1106 O GLY A 94 -7.505 -12.652 -8.031 1.00 0.00 O ATOM 0 H GLY A 94 -5.777 -9.696 -9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.032 -11.732 -10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.589 -12.649 -10.028 1.00 0.00 H new ATOM 1110 N SER A 95 -6.049 -11.075 -7.370 1.00 0.00 N ATOM 1111 CA SER A 95 -6.549 -10.924 -6.008 1.00 0.00 C ATOM 1112 C SER A 95 -7.282 -9.584 -5.968 1.00 0.00 C ATOM 1113 O SER A 95 -7.474 -8.953 -6.995 1.00 0.00 O ATOM 1114 CB SER A 95 -5.356 -10.942 -5.034 1.00 0.00 C ATOM 1115 OG SER A 95 -4.795 -12.241 -4.972 1.00 0.00 O ATOM 0 H SER A 95 -5.215 -10.517 -7.550 1.00 0.00 H new ATOM 0 HA SER A 95 -7.223 -11.730 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.601 -10.227 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.683 -10.631 -4.042 1.00 0.00 H new ATOM 0 HG SER A 95 -4.037 -12.240 -4.351 1.00 0.00 H new ATOM 1121 N VAL A 96 -7.695 -9.087 -4.816 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.160 -7.689 -4.676 1.00 0.00 C ATOM 1123 C VAL A 96 -7.750 -7.210 -3.278 1.00 0.00 C ATOM 1124 O VAL A 96 -7.717 -8.013 -2.348 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.663 -7.439 -5.005 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.463 -8.713 -5.230 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.450 -6.490 -4.087 1.00 0.00 C ATOM 0 H VAL A 96 -7.724 -9.623 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.674 -7.090 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.558 -6.897 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.499 -8.458 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.037 -9.267 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.427 -9.329 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.479 -6.414 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.442 -6.879 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.988 -5.503 -4.102 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.461 -5.921 -3.127 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.080 -5.270 -1.868 1.00 0.00 C ATOM 1139 C ILE A 97 -7.919 -4.017 -1.633 1.00 0.00 C ATOM 1140 O ILE A 97 -8.235 -3.289 -2.571 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.586 -4.880 -1.822 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.125 -4.243 -3.149 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.709 -6.076 -1.426 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.733 -3.606 -3.116 1.00 0.00 C ATOM 0 H ILE A 97 -7.486 -5.269 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.264 -6.004 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.467 -4.122 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.139 -5.008 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.849 -3.482 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.663 -5.769 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.004 -6.433 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.836 -6.877 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.502 -3.187 -4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.713 -2.814 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.992 -4.364 -2.862 1.00 0.00 H new ATOM 1156 N THR A 98 -8.203 -3.749 -0.370 1.00 0.00 N ATOM 1157 CA THR A 98 -8.808 -2.546 0.199 1.00 0.00 C ATOM 1158 C THR A 98 -7.715 -1.874 1.015 1.00 0.00 C ATOM 1159 O THR A 98 -6.898 -2.561 1.640 1.00 0.00 O ATOM 1160 CB THR A 98 -9.946 -2.951 1.133 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.921 -3.702 0.432 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.680 -1.796 1.812 1.00 0.00 C ATOM 0 H THR A 98 -7.997 -4.433 0.358 1.00 0.00 H new ATOM 0 HA THR A 98 -9.203 -1.887 -0.575 1.00 0.00 H new ATOM 0 HB THR A 98 -9.448 -3.529 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.802 -3.292 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.468 -2.192 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.976 -1.222 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.120 -1.149 1.054 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.656 -0.544 1.012 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.512 0.178 1.583 1.00 0.00 C ATOM 1172 C VAL A 99 -6.938 1.433 2.318 1.00 0.00 C ATOM 1173 O VAL A 99 -7.940 2.074 1.999 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.420 0.491 0.545 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.078 -0.719 -0.316 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.845 1.614 -0.367 1.00 0.00 C ATOM 0 H VAL A 99 -8.382 0.057 0.623 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.070 -0.502 2.312 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.537 0.782 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.303 -0.448 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.718 -1.528 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.969 -1.048 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.055 1.814 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.756 1.330 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.032 2.511 0.223 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.157 1.770 3.329 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.495 2.822 4.290 1.00 0.00 C ATOM 1188 C GLU A 100 -5.281 3.219 5.116 1.00 0.00 C ATOM 1189 O GLU A 100 -4.310 2.476 5.210 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.579 2.301 5.263 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.212 1.011 6.026 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.146 0.730 7.221 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.627 1.679 7.885 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -8.364 -0.466 7.529 1.00 0.00 O ATOM 0 H GLU A 100 -5.260 1.321 3.514 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.852 3.686 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.799 3.083 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.495 2.123 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.247 0.166 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.185 1.087 6.385 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.352 4.382 5.756 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.385 4.767 6.778 1.00 0.00 C ATOM 1203 C ARG A 101 -4.381 3.776 7.959 1.00 0.00 C ATOM 1204 O ARG A 101 -5.358 3.069 8.198 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.642 6.228 7.170 1.00 0.00 C ATOM 1206 CG ARG A 101 -5.757 6.500 8.190 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.178 6.069 7.794 1.00 0.00 C ATOM 1208 NE ARG A 101 -7.609 4.810 8.433 1.00 0.00 N ATOM 1209 CZ ARG A 101 -7.940 4.595 9.700 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -7.854 5.492 10.637 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -8.377 3.419 10.040 1.00 0.00 N ATOM 0 H ARG A 101 -6.076 5.079 5.583 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.370 4.711 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.714 6.638 7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.873 6.785 6.262 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.496 5.996 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.772 7.570 8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.877 6.861 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.226 5.953 6.711 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.659 3.997 7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.515 6.428 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.126 5.259 11.592 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.460 2.683 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.637 3.232 11.008 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.291 3.747 8.715 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.110 2.887 9.900 1.00 0.00 C ATOM 1227 C ASP A 102 -2.667 3.675 11.146 1.00 0.00 C ATOM 1228 O ASP A 102 -2.646 3.132 12.249 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.082 1.805 9.543 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.088 0.587 10.481 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.081 -0.168 10.533 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.024 0.311 11.079 1.00 0.00 O ATOM 0 H ASP A 102 -2.479 4.334 8.524 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.069 2.439 10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.270 1.465 8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.087 2.250 9.552 1.00 0.00 H new