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= 0.3 K(o=0.58,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.284 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.988 (180deg=0.958) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -179:sc= -1.16 (180deg=-1.16) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0.826 (180deg=0.625) USER MOD Single : A 35 ASN : amide:sc= 1.19 K(o=1.2,f=-0.012) USER MOD Single : A 40 CYS SG : rot 29:sc= -0.0455 USER MOD Single : A 41 SER OG : rot 81:sc= 0.64 USER MOD Single : A 43 GLN : amide:sc= 0.789 K(o=0.79,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.75) USER MOD Single : A 52 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.024) USER MOD Single : A 53 SER OG : rot 72:sc= 0.403 USER MOD Single : A 56 THR OG1 : rot 151:sc= -1.28 USER MOD Single : A 57 THR OG1 : rot -170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.12 USER MOD Single : A 60 SER OG : rot 6:sc= 0.074 USER MOD Single : A 69 THR OG1 : rot -37:sc= 0.0176 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.074 K(o=-0.074,f=-5.6!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 5.953 16.348 4.814 1.00 0.00 N ATOM 26 CA LYS A 27 4.985 15.358 5.280 1.00 0.00 C ATOM 27 C LYS A 27 5.766 14.097 5.636 1.00 0.00 C ATOM 28 O LYS A 27 6.971 13.978 5.404 1.00 0.00 O ATOM 29 CB LYS A 27 3.915 15.012 4.201 1.00 0.00 C ATOM 30 CG LYS A 27 2.495 15.449 4.590 1.00 0.00 C ATOM 31 CD LYS A 27 1.975 14.728 5.849 1.00 0.00 C ATOM 32 CE LYS A 27 0.449 14.691 5.963 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.161 16.049 6.015 1.00 0.00 N ATOM 0 HA LYS A 27 4.448 15.766 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.190 15.490 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.921 13.936 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.485 16.525 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.818 15.253 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.354 13.706 5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.383 15.221 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.039 14.146 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.170 14.138 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.189 15.963 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.244 16.581 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.036 16.552 5.127 1.00 0.00 H new ATOM 47 N ARG A 28 5.026 13.186 6.233 1.00 0.00 N ATOM 48 CA ARG A 28 5.249 11.758 6.414 1.00 0.00 C ATOM 49 C ARG A 28 4.049 11.216 7.161 1.00 0.00 C ATOM 50 O ARG A 28 3.555 11.820 8.113 1.00 0.00 O ATOM 51 CB ARG A 28 6.648 11.273 6.850 1.00 0.00 C ATOM 52 CG ARG A 28 7.236 11.739 8.188 1.00 0.00 C ATOM 53 CD ARG A 28 6.502 11.305 9.452 1.00 0.00 C ATOM 54 NE ARG A 28 6.139 9.862 9.441 1.00 0.00 N ATOM 55 CZ ARG A 28 5.016 9.318 9.881 1.00 0.00 C ATOM 56 NH1 ARG A 28 4.039 10.005 10.395 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.790 8.041 9.813 1.00 0.00 N ATOM 0 H ARG A 28 4.140 13.461 6.658 1.00 0.00 H new ATOM 0 HA ARG A 28 5.309 11.293 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.623 10.183 6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.350 11.563 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.263 11.379 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.280 12.828 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.129 11.511 10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.597 11.902 9.564 1.00 0.00 H new ATOM 0 HE ARG A 28 6.832 9.222 9.052 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.116 11.019 10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.196 9.530 10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.491 7.420 9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.911 7.659 10.163 1.00 0.00 H new ATOM 71 N TYR A 29 3.524 10.141 6.619 1.00 0.00 N ATOM 72 CA TYR A 29 2.267 9.503 6.971 1.00 0.00 C ATOM 73 C TYR A 29 2.529 8.003 6.972 1.00 0.00 C ATOM 74 O TYR A 29 3.564 7.533 6.491 1.00 0.00 O ATOM 75 CB TYR A 29 1.205 9.878 5.910 1.00 0.00 C ATOM 76 CG TYR A 29 1.502 9.313 4.540 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.207 7.958 4.273 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.087 10.111 3.535 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.544 7.368 3.052 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.342 9.544 2.279 1.00 0.00 C ATOM 81 CZ TYR A 29 2.084 8.171 2.031 1.00 0.00 C ATOM 82 OH TYR A 29 2.254 7.622 0.804 1.00 0.00 O ATOM 0 H TYR A 29 3.998 9.649 5.862 1.00 0.00 H new ATOM 0 HA TYR A 29 1.898 9.822 7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.230 9.519 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.138 10.964 5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.711 7.366 5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.335 11.144 3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.392 6.310 2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.741 10.162 1.488 1.00 0.00 H new ATOM 0 HH TYR A 29 1.576 6.930 0.658 1.00 0.00 H new ATOM 92 N ARG A 30 1.548 7.234 7.412 1.00 0.00 N ATOM 93 CA ARG A 30 1.552 5.788 7.275 1.00 0.00 C ATOM 94 C ARG A 30 0.139 5.353 6.884 1.00 0.00 C ATOM 95 O ARG A 30 -0.839 5.835 7.460 1.00 0.00 O ATOM 96 CB ARG A 30 2.101 5.245 8.603 1.00 0.00 C ATOM 97 CG ARG A 30 2.855 3.910 8.542 1.00 0.00 C ATOM 98 CD ARG A 30 1.998 2.672 8.297 1.00 0.00 C ATOM 99 NE ARG A 30 1.360 2.177 9.539 1.00 0.00 N ATOM 100 CZ ARG A 30 1.806 1.229 10.343 1.00 0.00 C ATOM 101 NH1 ARG A 30 2.959 0.639 10.177 1.00 0.00 N ATOM 102 NH2 ARG A 30 1.068 0.856 11.343 1.00 0.00 N ATOM 0 H ARG A 30 0.718 7.600 7.879 1.00 0.00 H new ATOM 0 HA ARG A 30 2.190 5.387 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.770 5.994 9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.267 5.134 9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.603 3.973 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.393 3.776 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.227 2.906 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.617 1.883 7.869 1.00 0.00 H new ATOM 0 HE ARG A 30 0.478 2.617 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.561 0.905 9.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.258 -0.088 10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.160 1.294 11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.396 0.125 11.974 1.00 0.00 H new ATOM 116 N ILE A 31 0.027 4.494 5.871 1.00 0.00 N ATOM 117 CA ILE A 31 -1.236 3.848 5.473 1.00 0.00 C ATOM 118 C ILE A 31 -1.155 2.363 5.726 1.00 0.00 C ATOM 119 O ILE A 31 -0.075 1.798 5.650 1.00 0.00 O ATOM 120 CB ILE A 31 -1.657 4.089 4.008 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.690 3.490 2.974 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.854 5.572 3.721 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.252 3.413 1.556 1.00 0.00 C ATOM 0 H ILE A 31 0.820 4.219 5.291 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.004 4.317 6.088 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.606 3.564 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.222 4.087 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.409 2.487 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.150 5.705 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.632 5.969 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.921 6.105 3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.505 2.979 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.147 2.790 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.506 4.415 1.210 1.00 0.00 H new ATOM 135 N THR A 32 -2.306 1.746 5.938 1.00 0.00 N ATOM 136 CA THR A 32 -2.510 0.306 6.104 1.00 0.00 C ATOM 137 C THR A 32 -3.152 -0.251 4.846 1.00 0.00 C ATOM 138 O THR A 32 -3.870 0.457 4.135 1.00 0.00 O ATOM 139 CB THR A 32 -3.432 0.063 7.301 1.00 0.00 C ATOM 140 OG1 THR A 32 -2.741 0.433 8.479 1.00 0.00 O ATOM 141 CG2 THR A 32 -3.888 -1.388 7.504 1.00 0.00 C ATOM 0 H THR A 32 -3.181 2.265 6.004 1.00 0.00 H new ATOM 0 HA THR A 32 -1.554 -0.188 6.276 1.00 0.00 H new ATOM 0 HB THR A 32 -4.325 0.654 7.096 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.318 0.285 9.257 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.536 -1.447 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.435 -1.724 6.623 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.017 -2.025 7.655 1.00 0.00 H new ATOM 149 N MET A 33 -2.916 -1.540 4.614 1.00 0.00 N ATOM 150 CA MET A 33 -3.474 -2.309 3.531 1.00 0.00 C ATOM 151 C MET A 33 -3.864 -3.705 3.992 1.00 0.00 C ATOM 152 O MET A 33 -3.055 -4.434 4.572 1.00 0.00 O ATOM 153 CB MET A 33 -2.432 -2.509 2.425 1.00 0.00 C ATOM 154 CG MET A 33 -1.607 -1.321 1.942 1.00 0.00 C ATOM 155 SD MET A 33 -0.490 -1.985 0.704 1.00 0.00 S ATOM 156 CE MET A 33 -1.114 -1.144 -0.746 1.00 0.00 C ATOM 0 H MET A 33 -2.300 -2.092 5.210 1.00 0.00 H new ATOM 0 HA MET A 33 -4.343 -1.757 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.734 -3.272 2.769 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.951 -2.919 1.559 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.246 -0.546 1.519 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.055 -0.866 2.765 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.543 -1.454 -1.621 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.164 -1.398 -0.890 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.016 -0.067 -0.612 1.00 0.00 H new ATOM 166 N LYS A 34 -5.091 -4.104 3.670 1.00 0.00 N ATOM 167 CA LYS A 34 -5.570 -5.463 3.907 1.00 0.00 C ATOM 168 C LYS A 34 -6.863 -5.775 3.234 1.00 0.00 C ATOM 169 O LYS A 34 -7.578 -4.862 2.850 1.00 0.00 O ATOM 170 CB LYS A 34 -5.933 -5.700 5.386 1.00 0.00 C ATOM 171 CG LYS A 34 -6.142 -4.550 6.378 1.00 0.00 C ATOM 172 CD LYS A 34 -7.505 -3.907 6.058 1.00 0.00 C ATOM 173 CE LYS A 34 -7.801 -2.710 6.968 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.006 -1.978 6.501 1.00 0.00 N ATOM 0 H LYS A 34 -5.783 -3.493 3.236 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.743 -6.069 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.851 -6.287 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.148 -6.332 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.123 -4.919 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.341 -3.816 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.518 -3.584 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.293 -4.652 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.953 -3.054 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.944 -2.037 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.358 -1.365 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.760 -1.396 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.745 -2.660 6.236 1.00 0.00 H new ATOM 188 N ASN A 35 -7.163 -7.066 3.269 1.00 0.00 N ATOM 189 CA ASN A 35 -8.486 -7.633 3.173 1.00 0.00 C ATOM 190 C ASN A 35 -8.400 -9.177 3.292 1.00 0.00 C ATOM 191 O ASN A 35 -7.306 -9.740 3.349 1.00 0.00 O ATOM 192 CB ASN A 35 -9.241 -7.032 1.983 1.00 0.00 C ATOM 193 CG ASN A 35 -10.572 -7.667 1.616 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.440 -7.878 2.452 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.765 -7.986 0.353 1.00 0.00 N ATOM 0 H ASN A 35 -6.442 -7.780 3.371 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.122 -7.354 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.416 -5.976 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.590 -7.081 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.645 -8.413 0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.035 -7.806 -0.336 1.00 0.00 H new ATOM 257 N CYS A 40 -0.008 -11.340 1.910 1.00 0.00 N ATOM 258 CA CYS A 40 1.016 -10.640 1.144 1.00 0.00 C ATOM 259 C CYS A 40 2.386 -10.482 1.826 1.00 0.00 C ATOM 260 O CYS A 40 2.511 -10.496 3.054 1.00 0.00 O ATOM 261 CB CYS A 40 0.446 -9.271 0.722 1.00 0.00 C ATOM 262 SG CYS A 40 -0.124 -8.312 2.163 1.00 0.00 S ATOM 0 HA CYS A 40 1.241 -11.271 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.210 -8.707 0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.384 -9.419 0.031 1.00 0.00 H new ATOM 0 HG CYS A 40 0.570 -8.648 3.210 1.00 0.00 H new ATOM 268 N SER A 41 3.393 -10.217 0.994 1.00 0.00 N ATOM 269 CA SER A 41 4.760 -9.824 1.367 1.00 0.00 C ATOM 270 C SER A 41 5.062 -8.428 0.815 1.00 0.00 C ATOM 271 O SER A 41 4.354 -7.954 -0.080 1.00 0.00 O ATOM 272 CB SER A 41 5.787 -10.813 0.787 1.00 0.00 C ATOM 273 OG SER A 41 5.327 -12.157 0.762 1.00 0.00 O ATOM 0 H SER A 41 3.274 -10.273 -0.018 1.00 0.00 H new ATOM 0 HA SER A 41 4.832 -9.826 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.043 -10.506 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.702 -10.761 1.376 1.00 0.00 H new ATOM 0 HG SER A 41 4.746 -12.290 -0.016 1.00 0.00 H new ATOM 279 N TRP A 42 6.118 -7.753 1.285 1.00 0.00 N ATOM 280 CA TRP A 42 6.455 -6.440 0.718 1.00 0.00 C ATOM 281 C TRP A 42 6.715 -6.527 -0.769 1.00 0.00 C ATOM 282 O TRP A 42 6.168 -5.742 -1.540 1.00 0.00 O ATOM 283 CB TRP A 42 7.619 -5.729 1.413 1.00 0.00 C ATOM 284 CG TRP A 42 7.963 -4.390 0.810 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.218 -3.930 0.601 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.076 -3.384 0.212 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.175 -2.745 -0.104 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.882 -2.394 -0.432 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.675 -3.233 0.088 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.327 -1.366 -1.209 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.112 -2.209 -0.682 1.00 0.00 C ATOM 292 CH2 TRP A 42 5.934 -1.287 -1.344 1.00 0.00 C ATOM 0 H TRP A 42 6.735 -8.078 2.029 1.00 0.00 H new ATOM 0 HA TRP A 42 5.571 -5.828 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.371 -5.590 2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.499 -6.371 1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.121 -4.419 0.937 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.998 -2.196 -0.352 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.023 -3.925 0.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.965 -0.644 -1.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.038 -2.129 -0.767 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.494 -0.515 -1.958 1.00 0.00 H new ATOM 303 N GLN A 43 7.448 -7.543 -1.215 1.00 0.00 N ATOM 304 CA GLN A 43 7.679 -7.761 -2.635 1.00 0.00 C ATOM 305 C GLN A 43 6.407 -7.927 -3.465 1.00 0.00 C ATOM 306 O GLN A 43 6.349 -7.455 -4.608 1.00 0.00 O ATOM 307 CB GLN A 43 8.722 -8.875 -2.853 1.00 0.00 C ATOM 308 CG GLN A 43 8.370 -10.265 -2.279 1.00 0.00 C ATOM 309 CD GLN A 43 8.777 -10.504 -0.820 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.936 -9.600 -0.006 1.00 0.00 O ATOM 311 NE2 GLN A 43 8.932 -11.744 -0.407 1.00 0.00 N ATOM 0 H GLN A 43 7.894 -8.231 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 43 8.105 -6.838 -3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.891 -8.980 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.665 -8.552 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.293 -10.411 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.846 -11.025 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.807 -12.518 -1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.177 -11.931 0.565 1.00 0.00 H new ATOM 320 N ASP A 44 5.352 -8.481 -2.880 1.00 0.00 N ATOM 321 CA ASP A 44 4.080 -8.656 -3.550 1.00 0.00 C ATOM 322 C ASP A 44 3.324 -7.330 -3.663 1.00 0.00 C ATOM 323 O ASP A 44 2.790 -6.988 -4.720 1.00 0.00 O ATOM 324 CB ASP A 44 3.239 -9.638 -2.751 1.00 0.00 C ATOM 325 CG ASP A 44 3.763 -11.081 -2.714 1.00 0.00 C ATOM 326 OD1 ASP A 44 4.101 -11.644 -3.788 1.00 0.00 O ATOM 327 OD2 ASP A 44 3.799 -11.660 -1.608 1.00 0.00 O ATOM 0 H ASP A 44 5.361 -8.823 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 44 4.266 -9.031 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.160 -9.272 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.231 -9.647 -3.165 1.00 0.00 H new ATOM 332 N LEU A 45 3.292 -6.573 -2.568 1.00 0.00 N ATOM 333 CA LEU A 45 2.630 -5.278 -2.495 1.00 0.00 C ATOM 334 C LEU A 45 3.346 -4.179 -3.275 1.00 0.00 C ATOM 335 O LEU A 45 2.680 -3.324 -3.851 1.00 0.00 O ATOM 336 CB LEU A 45 2.524 -4.904 -1.022 1.00 0.00 C ATOM 337 CG LEU A 45 1.293 -5.517 -0.355 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.380 -5.118 1.108 1.00 0.00 C ATOM 339 CD2 LEU A 45 -0.024 -5.009 -0.956 1.00 0.00 C ATOM 0 H LEU A 45 3.735 -6.850 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 45 1.649 -5.366 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.421 -5.237 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.484 -3.819 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 45 1.288 -6.597 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.525 -5.526 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.301 -5.511 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.376 -4.031 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.863 -5.479 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.085 -3.927 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.061 -5.260 -2.016 1.00 0.00 H new ATOM 351 N LYS A 46 4.678 -4.220 -3.331 1.00 0.00 N ATOM 352 CA LYS A 46 5.515 -3.420 -4.232 1.00 0.00 C ATOM 353 C LYS A 46 5.115 -3.740 -5.657 1.00 0.00 C ATOM 354 O LYS A 46 4.811 -2.826 -6.425 1.00 0.00 O ATOM 355 CB LYS A 46 6.984 -3.787 -3.953 1.00 0.00 C ATOM 356 CG LYS A 46 8.019 -3.199 -4.922 1.00 0.00 C ATOM 357 CD LYS A 46 8.261 -1.686 -4.855 1.00 0.00 C ATOM 358 CE LYS A 46 9.444 -1.380 -3.928 1.00 0.00 C ATOM 359 NZ LYS A 46 9.814 0.059 -3.941 1.00 0.00 N ATOM 0 H LYS A 46 5.226 -4.834 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 46 5.386 -2.349 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.234 -3.461 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.076 -4.873 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.970 -3.701 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.710 -3.447 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.462 -1.298 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.365 -1.183 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.192 -1.679 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.304 -1.977 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.287 0.304 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.458 0.245 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.956 0.637 -4.048 1.00 0.00 H new ATOM 373 N ASP A 47 5.052 -5.033 -6.000 1.00 0.00 N ATOM 374 CA ASP A 47 4.614 -5.450 -7.326 1.00 0.00 C ATOM 375 C ASP A 47 3.268 -4.849 -7.684 1.00 0.00 C ATOM 376 O ASP A 47 3.199 -4.094 -8.650 1.00 0.00 O ATOM 377 CB ASP A 47 4.599 -6.978 -7.505 1.00 0.00 C ATOM 378 CG ASP A 47 5.240 -7.435 -8.826 1.00 0.00 C ATOM 379 OD1 ASP A 47 6.158 -6.751 -9.342 1.00 0.00 O ATOM 380 OD2 ASP A 47 4.805 -8.483 -9.358 1.00 0.00 O ATOM 0 H ASP A 47 5.299 -5.801 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 47 5.358 -5.062 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.128 -7.441 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.569 -7.333 -7.466 1.00 0.00 H new ATOM 385 N LEU A 48 2.251 -5.078 -6.843 1.00 0.00 N ATOM 386 CA LEU A 48 0.945 -4.474 -7.055 1.00 0.00 C ATOM 387 C LEU A 48 1.062 -2.962 -7.195 1.00 0.00 C ATOM 388 O LEU A 48 0.511 -2.385 -8.124 1.00 0.00 O ATOM 389 CB LEU A 48 -0.086 -4.878 -5.989 1.00 0.00 C ATOM 390 CG LEU A 48 -1.452 -4.179 -6.202 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.563 -4.853 -5.436 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.475 -2.747 -5.725 1.00 0.00 C ATOM 0 H LEU A 48 2.314 -5.674 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 48 0.562 -4.870 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.225 -5.959 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.299 -4.627 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.598 -4.236 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.501 -4.327 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.657 -5.887 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.335 -4.832 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.461 -2.319 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.255 -2.715 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.725 -2.171 -6.267 1.00 0.00 H new ATOM 404 N ALA A 49 1.740 -2.285 -6.283 1.00 0.00 N ATOM 405 CA ALA A 49 1.798 -0.838 -6.301 1.00 0.00 C ATOM 406 C ALA A 49 2.257 -0.296 -7.664 1.00 0.00 C ATOM 407 O ALA A 49 1.596 0.585 -8.213 1.00 0.00 O ATOM 408 CB ALA A 49 2.698 -0.395 -5.166 1.00 0.00 C ATOM 0 H ALA A 49 2.259 -2.719 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 49 0.800 -0.424 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.761 0.693 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.288 -0.745 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.694 -0.814 -5.307 1.00 0.00 H new ATOM 414 N ARG A 50 3.285 -0.907 -8.259 1.00 0.00 N ATOM 415 CA ARG A 50 3.737 -0.552 -9.616 1.00 0.00 C ATOM 416 C ARG A 50 2.715 -0.898 -10.691 1.00 0.00 C ATOM 417 O ARG A 50 2.549 -0.145 -11.651 1.00 0.00 O ATOM 418 CB ARG A 50 5.049 -1.279 -9.885 1.00 0.00 C ATOM 419 CG ARG A 50 6.170 -0.710 -9.008 1.00 0.00 C ATOM 420 CD ARG A 50 7.024 -1.727 -8.245 1.00 0.00 C ATOM 421 NE ARG A 50 7.108 -3.080 -8.845 1.00 0.00 N ATOM 422 CZ ARG A 50 7.901 -3.485 -9.826 1.00 0.00 C ATOM 423 NH1 ARG A 50 8.764 -2.689 -10.400 1.00 0.00 N ATOM 424 NH2 ARG A 50 7.844 -4.709 -10.267 1.00 0.00 N ATOM 0 H ARG A 50 3.825 -1.654 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 50 3.871 0.529 -9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.929 -2.344 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.317 -1.180 -10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.830 -0.117 -9.641 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.724 -0.028 -8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.034 -1.328 -8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.625 -1.822 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 50 6.480 -3.783 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.844 -1.719 -10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.358 -3.038 -11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.183 -5.369 -9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.460 -5.008 -11.023 1.00 0.00 H new ATOM 438 N GLU A 51 2.002 -2.004 -10.499 1.00 0.00 N ATOM 439 CA GLU A 51 0.802 -2.344 -11.311 1.00 0.00 C ATOM 440 C GLU A 51 -0.241 -1.225 -11.373 1.00 0.00 C ATOM 441 O GLU A 51 -0.894 -0.999 -12.398 1.00 0.00 O ATOM 442 CB GLU A 51 0.017 -3.580 -10.822 1.00 0.00 C ATOM 443 CG GLU A 51 0.816 -4.877 -10.784 1.00 0.00 C ATOM 444 CD GLU A 51 0.956 -5.568 -12.152 1.00 0.00 C ATOM 445 OE1 GLU A 51 1.480 -4.959 -13.110 1.00 0.00 O ATOM 446 OE2 GLU A 51 0.596 -6.767 -12.246 1.00 0.00 O ATOM 0 H GLU A 51 2.225 -2.697 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 51 1.256 -2.532 -12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.365 -3.377 -9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.848 -3.722 -11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.811 -4.667 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.337 -5.566 -10.088 1.00 0.00 H new ATOM 453 N ASN A 52 -0.400 -0.551 -10.246 1.00 0.00 N ATOM 454 CA ASN A 52 -1.507 0.338 -9.945 1.00 0.00 C ATOM 455 C ASN A 52 -1.252 1.840 -10.165 1.00 0.00 C ATOM 456 O ASN A 52 -2.186 2.544 -10.556 1.00 0.00 O ATOM 457 CB ASN A 52 -1.836 0.005 -8.489 1.00 0.00 C ATOM 458 CG ASN A 52 -3.076 -0.852 -8.374 1.00 0.00 C ATOM 459 OD1 ASN A 52 -4.185 -0.382 -8.189 1.00 0.00 O ATOM 460 ND2 ASN A 52 -2.920 -2.146 -8.493 1.00 0.00 N ATOM 0 H ASN A 52 0.272 -0.613 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.330 0.170 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.992 -0.515 -8.036 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.980 0.929 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.728 -2.765 -8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.990 -2.535 -8.648 1.00 0.00 H new ATOM 467 N SER A 53 -0.013 2.294 -9.929 1.00 0.00 N ATOM 468 CA SER A 53 0.613 3.623 -10.149 1.00 0.00 C ATOM 469 C SER A 53 1.448 4.084 -8.944 1.00 0.00 C ATOM 470 O SER A 53 2.126 5.113 -9.003 1.00 0.00 O ATOM 471 CB SER A 53 -0.357 4.747 -10.558 1.00 0.00 C ATOM 472 OG SER A 53 -0.805 4.594 -11.898 1.00 0.00 O ATOM 0 H SER A 53 0.673 1.657 -9.524 1.00 0.00 H new ATOM 0 HA SER A 53 1.265 3.449 -11.005 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.215 4.750 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.137 5.712 -10.448 1.00 0.00 H new ATOM 0 HG SER A 53 -1.424 3.836 -11.952 1.00 0.00 H new ATOM 478 N LEU A 54 1.409 3.330 -7.839 1.00 0.00 N ATOM 479 CA LEU A 54 2.138 3.607 -6.601 1.00 0.00 C ATOM 480 C LEU A 54 3.604 3.181 -6.639 1.00 0.00 C ATOM 481 O LEU A 54 4.087 2.358 -7.414 1.00 0.00 O ATOM 482 CB LEU A 54 1.473 2.893 -5.400 1.00 0.00 C ATOM 483 CG LEU A 54 0.738 3.707 -4.313 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.544 3.705 -3.004 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.429 5.156 -4.685 1.00 0.00 C ATOM 0 H LEU A 54 0.848 2.480 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 54 2.101 4.691 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.757 2.179 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.250 2.315 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.221 3.202 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.012 4.283 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.669 2.680 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.523 4.151 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.087 5.642 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.359 5.685 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.206 5.177 -5.571 1.00 0.00 H new ATOM 497 N GLU A 55 4.245 3.750 -5.637 1.00 0.00 N ATOM 498 CA GLU A 55 5.555 3.564 -5.069 1.00 0.00 C ATOM 499 C GLU A 55 5.576 4.411 -3.791 1.00 0.00 C ATOM 500 O GLU A 55 4.941 5.464 -3.765 1.00 0.00 O ATOM 501 CB GLU A 55 6.544 4.156 -6.064 1.00 0.00 C ATOM 502 CG GLU A 55 7.962 4.243 -5.509 1.00 0.00 C ATOM 503 CD GLU A 55 8.576 2.860 -5.206 1.00 0.00 C ATOM 504 OE1 GLU A 55 8.128 2.193 -4.243 1.00 0.00 O ATOM 505 OE2 GLU A 55 9.506 2.414 -5.924 1.00 0.00 O ATOM 0 H GLU A 55 3.762 4.483 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 55 5.795 2.522 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.550 3.548 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.210 5.153 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.595 4.767 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.953 4.839 -4.596 1.00 0.00 H new ATOM 512 N THR A 56 6.331 4.033 -2.764 1.00 0.00 N ATOM 513 CA THR A 56 6.585 4.898 -1.589 1.00 0.00 C ATOM 514 C THR A 56 8.057 4.752 -1.142 1.00 0.00 C ATOM 515 O THR A 56 8.910 4.313 -1.918 1.00 0.00 O ATOM 516 CB THR A 56 5.636 4.596 -0.413 1.00 0.00 C ATOM 517 OG1 THR A 56 6.022 3.397 0.206 1.00 0.00 O ATOM 518 CG2 THR A 56 4.157 4.477 -0.754 1.00 0.00 C ATOM 0 H THR A 56 6.788 3.123 -2.711 1.00 0.00 H new ATOM 0 HA THR A 56 6.391 5.926 -1.894 1.00 0.00 H new ATOM 0 HB THR A 56 5.731 5.468 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.775 3.424 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.591 4.264 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.807 5.414 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.013 3.668 -1.471 1.00 0.00 H new ATOM 526 N THR A 57 8.396 5.116 0.095 1.00 0.00 N ATOM 527 CA THR A 57 9.697 4.820 0.704 1.00 0.00 C ATOM 528 C THR A 57 9.773 3.341 1.080 1.00 0.00 C ATOM 529 O THR A 57 10.801 2.694 0.864 1.00 0.00 O ATOM 530 CB THR A 57 9.889 5.627 1.998 1.00 0.00 C ATOM 531 OG1 THR A 57 9.500 6.976 1.817 1.00 0.00 O ATOM 532 CG2 THR A 57 11.336 5.648 2.488 1.00 0.00 C ATOM 0 H THR A 57 7.768 5.631 0.712 1.00 0.00 H new ATOM 0 HA THR A 57 10.467 5.080 -0.023 1.00 0.00 H new ATOM 0 HB THR A 57 9.266 5.124 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.776 7.503 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.401 6.234 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.668 4.629 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.972 6.096 1.725 1.00 0.00 H new ATOM 540 N PHE A 58 8.689 2.814 1.661 1.00 0.00 N ATOM 541 CA PHE A 58 8.655 1.506 2.317 1.00 0.00 C ATOM 542 C PHE A 58 7.253 1.086 2.773 1.00 0.00 C ATOM 543 O PHE A 58 6.364 1.929 2.895 1.00 0.00 O ATOM 544 CB PHE A 58 9.590 1.595 3.551 1.00 0.00 C ATOM 545 CG PHE A 58 8.996 1.503 4.945 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.477 2.654 5.571 1.00 0.00 C ATOM 547 CD2 PHE A 58 9.004 0.278 5.648 1.00 0.00 C ATOM 548 CE1 PHE A 58 7.959 2.576 6.880 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.475 0.199 6.948 1.00 0.00 C ATOM 550 CZ PHE A 58 7.953 1.348 7.563 1.00 0.00 C ATOM 0 H PHE A 58 7.792 3.298 1.688 1.00 0.00 H new ATOM 0 HA PHE A 58 8.976 0.752 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.331 0.801 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.128 2.541 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.476 3.598 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.419 -0.604 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.566 3.461 7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.470 -0.745 7.473 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.547 1.288 8.562 1.00 0.00 H new ATOM 560 N SER A 59 7.094 -0.198 3.124 1.00 0.00 N ATOM 561 CA SER A 59 5.921 -0.732 3.822 1.00 0.00 C ATOM 562 C SER A 59 6.301 -1.760 4.890 1.00 0.00 C ATOM 563 O SER A 59 7.208 -2.578 4.709 1.00 0.00 O ATOM 564 CB SER A 59 4.960 -1.403 2.850 1.00 0.00 C ATOM 565 OG SER A 59 3.878 -2.025 3.520 1.00 0.00 O ATOM 0 H SER A 59 7.797 -0.910 2.924 1.00 0.00 H new ATOM 0 HA SER A 59 5.443 0.124 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.575 -0.661 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.499 -2.146 2.262 1.00 0.00 H new ATOM 0 HG SER A 59 3.283 -2.443 2.863 1.00 0.00 H new ATOM 571 N SER A 60 5.565 -1.727 5.997 1.00 0.00 N ATOM 572 CA SER A 60 5.552 -2.752 7.037 1.00 0.00 C ATOM 573 C SER A 60 4.692 -3.930 6.558 1.00 0.00 C ATOM 574 O SER A 60 3.466 -3.828 6.513 1.00 0.00 O ATOM 575 CB SER A 60 4.961 -2.171 8.332 1.00 0.00 C ATOM 576 OG SER A 60 5.780 -1.139 8.853 1.00 0.00 O ATOM 0 H SER A 60 4.934 -0.952 6.203 1.00 0.00 H new ATOM 0 HA SER A 60 6.569 -3.092 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.962 -1.782 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.854 -2.963 9.073 1.00 0.00 H new ATOM 0 HG SER A 60 6.503 -0.945 8.221 1.00 0.00 H new ATOM 582 N VAL A 61 5.336 -5.036 6.173 1.00 0.00 N ATOM 583 CA VAL A 61 4.724 -6.318 5.751 1.00 0.00 C ATOM 584 C VAL A 61 5.553 -7.479 6.320 1.00 0.00 C ATOM 585 O VAL A 61 6.552 -7.238 6.999 1.00 0.00 O ATOM 586 CB VAL A 61 4.616 -6.456 4.205 1.00 0.00 C ATOM 587 CG1 VAL A 61 3.365 -7.247 3.787 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.536 -5.131 3.449 1.00 0.00 C ATOM 0 H VAL A 61 6.355 -5.072 6.143 1.00 0.00 H new ATOM 0 HA VAL A 61 3.706 -6.342 6.141 1.00 0.00 H new ATOM 0 HB VAL A 61 5.541 -6.969 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.327 -7.320 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.407 -8.248 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.473 -6.734 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.463 -5.326 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.656 -4.577 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.431 -4.543 3.650 1.00 0.00 H new ATOM 701 N THR A 69 -0.897 -8.461 6.037 1.00 0.00 N ATOM 702 CA THR A 69 -1.323 -7.075 5.762 1.00 0.00 C ATOM 703 C THR A 69 -0.071 -6.225 5.502 1.00 0.00 C ATOM 704 O THR A 69 1.015 -6.538 6.001 1.00 0.00 O ATOM 705 CB THR A 69 -2.112 -6.511 6.963 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.272 -6.389 8.090 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.268 -7.433 7.342 1.00 0.00 C ATOM 0 HA THR A 69 -1.975 -7.053 4.888 1.00 0.00 H new ATOM 0 HB THR A 69 -2.498 -5.536 6.666 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.643 -7.140 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.806 -7.011 8.191 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.947 -7.533 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.877 -8.414 7.611 1.00 0.00 H new ATOM 715 N GLY A 70 -0.204 -5.152 4.723 1.00 0.00 N ATOM 716 CA GLY A 70 0.854 -4.161 4.496 1.00 0.00 C ATOM 717 C GLY A 70 0.568 -2.856 5.223 1.00 0.00 C ATOM 718 O GLY A 70 -0.574 -2.588 5.600 1.00 0.00 O ATOM 0 H GLY A 70 -1.066 -4.941 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.809 -4.564 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.949 -3.969 3.427 1.00 0.00 H new ATOM 722 N ALA A 71 1.589 -2.021 5.399 1.00 0.00 N ATOM 723 CA ALA A 71 1.406 -0.650 5.851 1.00 0.00 C ATOM 724 C ALA A 71 2.535 0.287 5.365 1.00 0.00 C ATOM 725 O ALA A 71 3.621 0.336 5.950 1.00 0.00 O ATOM 726 CB ALA A 71 1.185 -0.630 7.370 1.00 0.00 C ATOM 0 H ALA A 71 2.562 -2.277 5.232 1.00 0.00 H new ATOM 0 HA ALA A 71 0.506 -0.242 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.048 0.398 7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.297 -1.213 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.052 -1.062 7.870 1.00 0.00 H new ATOM 732 N LEU A 72 2.265 1.010 4.273 1.00 0.00 N ATOM 733 CA LEU A 72 3.191 1.872 3.526 1.00 0.00 C ATOM 734 C LEU A 72 3.482 3.185 4.286 1.00 0.00 C ATOM 735 O LEU A 72 2.687 3.622 5.119 1.00 0.00 O ATOM 736 CB LEU A 72 2.556 2.243 2.186 1.00 0.00 C ATOM 737 CG LEU A 72 2.586 1.266 1.011 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.970 1.030 0.424 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.896 -0.036 1.350 1.00 0.00 C ATOM 0 H LEU A 72 1.333 1.009 3.859 1.00 0.00 H new ATOM 0 HA LEU A 72 4.123 1.322 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.510 2.478 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.032 3.164 1.850 1.00 0.00 H new ATOM 0 HG LEU A 72 2.021 1.758 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.899 0.325 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.378 1.974 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.627 0.622 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.938 -0.705 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.397 -0.503 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.855 0.160 1.607 1.00 0.00 H new ATOM 751 N GLU A 73 4.551 3.880 3.901 1.00 0.00 N ATOM 752 CA GLU A 73 4.877 5.267 4.333 1.00 0.00 C ATOM 753 C GLU A 73 5.615 6.067 3.232 1.00 0.00 C ATOM 754 O GLU A 73 6.516 5.533 2.573 1.00 0.00 O ATOM 755 CB GLU A 73 5.701 5.219 5.642 1.00 0.00 C ATOM 756 CG GLU A 73 6.451 6.518 6.013 1.00 0.00 C ATOM 757 CD GLU A 73 6.721 6.744 7.528 1.00 0.00 C ATOM 758 OE1 GLU A 73 6.235 5.994 8.408 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.387 7.749 7.869 1.00 0.00 O ATOM 0 H GLU A 73 5.245 3.495 3.260 1.00 0.00 H new ATOM 0 HA GLU A 73 3.941 5.795 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.030 4.962 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.429 4.412 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.407 6.523 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.877 7.365 5.637 1.00 0.00 H new ATOM 766 N PHE A 74 5.280 7.360 3.051 1.00 0.00 N ATOM 767 CA PHE A 74 6.001 8.311 2.174 1.00 0.00 C ATOM 768 C PHE A 74 6.103 9.730 2.792 1.00 0.00 C ATOM 769 O PHE A 74 5.186 10.121 3.511 1.00 0.00 O ATOM 770 CB PHE A 74 5.255 8.483 0.830 1.00 0.00 C ATOM 771 CG PHE A 74 6.148 8.974 -0.296 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.247 8.212 -0.712 1.00 0.00 C ATOM 773 CD2 PHE A 74 5.982 10.264 -0.828 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.174 8.717 -1.638 1.00 0.00 C ATOM 775 CE2 PHE A 74 6.914 10.792 -1.740 1.00 0.00 C ATOM 776 CZ PHE A 74 8.011 10.016 -2.145 1.00 0.00 C ATOM 0 H PHE A 74 4.481 7.785 3.521 1.00 0.00 H new ATOM 0 HA PHE A 74 6.997 7.888 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.813 7.529 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.434 9.187 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.384 7.218 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.129 10.857 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.008 8.110 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.786 11.792 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.728 10.417 -2.845 1.00 0.00 H new ATOM 786 N PRO A 75 7.117 10.561 2.460 1.00 0.00 N ATOM 787 CA PRO A 75 7.204 11.971 2.869 1.00 0.00 C ATOM 788 C PRO A 75 6.306 13.002 2.133 1.00 0.00 C ATOM 789 O PRO A 75 6.487 14.202 2.353 1.00 0.00 O ATOM 790 CB PRO A 75 8.696 12.330 2.780 1.00 0.00 C ATOM 791 CG PRO A 75 9.197 11.425 1.664 1.00 0.00 C ATOM 792 CD PRO A 75 8.410 10.146 1.921 1.00 0.00 C ATOM 0 HA PRO A 75 6.790 12.047 3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.845 13.384 2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.215 12.138 3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.991 11.840 0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.273 11.261 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.283 9.576 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.936 9.501 2.625 1.00 0.00 H new ATOM 800 N SER A 76 5.315 12.601 1.322 1.00 0.00 N ATOM 801 CA SER A 76 4.317 13.520 0.730 1.00 0.00 C ATOM 802 C SER A 76 2.933 12.892 0.683 1.00 0.00 C ATOM 803 O SER A 76 2.738 11.884 0.001 1.00 0.00 O ATOM 804 CB SER A 76 4.639 13.877 -0.715 1.00 0.00 C ATOM 805 OG SER A 76 5.907 14.505 -0.872 1.00 0.00 O ATOM 0 H SER A 76 5.178 11.626 1.054 1.00 0.00 H new ATOM 0 HA SER A 76 4.344 14.402 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.613 12.971 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.863 14.539 -1.100 1.00 0.00 H new ATOM 0 HG SER A 76 6.057 14.708 -1.819 1.00 0.00 H new ATOM 811 N GLU A 77 1.946 13.530 1.313 1.00 0.00 N ATOM 812 CA GLU A 77 0.542 13.082 1.312 1.00 0.00 C ATOM 813 C GLU A 77 -0.068 12.865 -0.083 1.00 0.00 C ATOM 814 O GLU A 77 -1.062 12.157 -0.220 1.00 0.00 O ATOM 815 CB GLU A 77 -0.334 14.005 2.163 1.00 0.00 C ATOM 816 CG GLU A 77 -0.398 15.460 1.674 1.00 0.00 C ATOM 817 CD GLU A 77 -0.912 16.374 2.808 1.00 0.00 C ATOM 818 OE1 GLU A 77 -2.106 16.285 3.177 1.00 0.00 O ATOM 819 OE2 GLU A 77 -0.108 17.136 3.391 1.00 0.00 O ATOM 0 H GLU A 77 2.096 14.386 1.848 1.00 0.00 H new ATOM 0 HA GLU A 77 0.563 12.091 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.346 13.600 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.040 13.996 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.590 15.788 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.057 15.533 0.809 1.00 0.00 H new ATOM 826 N GLU A 78 0.557 13.408 -1.132 1.00 0.00 N ATOM 827 CA GLU A 78 0.268 13.105 -2.534 1.00 0.00 C ATOM 828 C GLU A 78 0.149 11.585 -2.770 1.00 0.00 C ATOM 829 O GLU A 78 -0.869 11.106 -3.273 1.00 0.00 O ATOM 830 CB GLU A 78 1.406 13.675 -3.410 1.00 0.00 C ATOM 831 CG GLU A 78 1.628 15.191 -3.283 1.00 0.00 C ATOM 832 CD GLU A 78 2.855 15.639 -4.101 1.00 0.00 C ATOM 833 OE1 GLU A 78 2.725 15.854 -5.334 1.00 0.00 O ATOM 834 OE2 GLU A 78 3.959 15.786 -3.527 1.00 0.00 O ATOM 0 H GLU A 78 1.304 14.094 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.686 13.561 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.334 13.164 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.193 13.440 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.742 15.722 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.769 15.455 -2.235 1.00 0.00 H new ATOM 841 N ILE A 79 1.164 10.822 -2.344 1.00 0.00 N ATOM 842 CA ILE A 79 1.273 9.366 -2.542 1.00 0.00 C ATOM 843 C ILE A 79 0.281 8.595 -1.646 1.00 0.00 C ATOM 844 O ILE A 79 -0.282 7.568 -2.052 1.00 0.00 O ATOM 845 CB ILE A 79 2.742 8.915 -2.326 1.00 0.00 C ATOM 846 CG1 ILE A 79 3.724 9.785 -3.156 1.00 0.00 C ATOM 847 CG2 ILE A 79 2.922 7.435 -2.670 1.00 0.00 C ATOM 848 CD1 ILE A 79 4.977 9.136 -3.765 1.00 0.00 C ATOM 0 H ILE A 79 1.958 11.211 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 79 0.997 9.128 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 79 2.973 9.052 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.156 10.230 -3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.057 10.603 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.961 7.148 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.276 6.832 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.658 7.269 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.548 9.888 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.594 8.719 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.679 8.340 -4.448 1.00 0.00 H new ATOM 860 N LEU A 80 -0.009 9.141 -0.463 1.00 0.00 N ATOM 861 CA LEU A 80 -1.034 8.629 0.444 1.00 0.00 C ATOM 862 C LEU A 80 -2.414 8.668 -0.231 1.00 0.00 C ATOM 863 O LEU A 80 -3.098 7.649 -0.326 1.00 0.00 O ATOM 864 CB LEU A 80 -0.987 9.442 1.760 1.00 0.00 C ATOM 865 CG LEU A 80 -2.295 9.739 2.527 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.951 8.513 3.136 1.00 0.00 C ATOM 867 CD2 LEU A 80 -2.040 10.660 3.715 1.00 0.00 C ATOM 0 H LEU A 80 0.471 9.966 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.841 7.584 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.322 8.915 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.518 10.400 1.534 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.941 10.179 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.862 8.808 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.197 7.802 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.265 8.047 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.979 10.851 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.336 10.185 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.623 11.603 3.361 1.00 0.00 H new ATOM 879 N VAL A 81 -2.801 9.846 -0.730 1.00 0.00 N ATOM 880 CA VAL A 81 -4.134 10.115 -1.297 1.00 0.00 C ATOM 881 C VAL A 81 -4.319 9.349 -2.581 1.00 0.00 C ATOM 882 O VAL A 81 -5.399 8.811 -2.830 1.00 0.00 O ATOM 883 CB VAL A 81 -4.341 11.623 -1.545 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.643 11.953 -2.290 1.00 0.00 C ATOM 885 CG2 VAL A 81 -4.387 12.394 -0.225 1.00 0.00 C ATOM 0 H VAL A 81 -2.186 10.659 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.880 9.785 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.492 11.919 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.720 13.031 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.640 11.462 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.495 11.600 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.534 13.455 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.212 12.024 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.448 12.254 0.311 1.00 0.00 H new ATOM 895 N GLU A 82 -3.240 9.236 -3.349 1.00 0.00 N ATOM 896 CA GLU A 82 -3.140 8.337 -4.458 1.00 0.00 C ATOM 897 C GLU A 82 -3.572 6.930 -4.005 1.00 0.00 C ATOM 898 O GLU A 82 -4.683 6.527 -4.314 1.00 0.00 O ATOM 899 CB GLU A 82 -1.676 8.379 -4.876 1.00 0.00 C ATOM 900 CG GLU A 82 -1.289 9.263 -6.056 1.00 0.00 C ATOM 901 CD GLU A 82 -2.001 8.973 -7.383 1.00 0.00 C ATOM 902 OE1 GLU A 82 -2.093 7.798 -7.797 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.473 9.932 -8.040 1.00 0.00 O ATOM 0 H GLU A 82 -2.396 9.789 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.783 8.609 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.093 8.701 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.367 7.360 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.481 10.301 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.215 9.169 -6.216 1.00 0.00 H new ATOM 910 N ALA A 83 -2.792 6.210 -3.194 1.00 0.00 N ATOM 911 CA ALA A 83 -3.149 4.839 -2.771 1.00 0.00 C ATOM 912 C ALA A 83 -4.565 4.708 -2.166 1.00 0.00 C ATOM 913 O ALA A 83 -5.261 3.739 -2.449 1.00 0.00 O ATOM 914 CB ALA A 83 -2.106 4.347 -1.773 1.00 0.00 C ATOM 0 H ALA A 83 -1.908 6.547 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.160 4.223 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.358 3.336 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.124 4.344 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.090 5.009 -0.907 1.00 0.00 H new ATOM 920 N LEU A 84 -5.039 5.699 -1.415 1.00 0.00 N ATOM 921 CA LEU A 84 -6.394 5.718 -0.832 1.00 0.00 C ATOM 922 C LEU A 84 -7.484 5.832 -1.890 1.00 0.00 C ATOM 923 O LEU A 84 -8.617 5.410 -1.658 1.00 0.00 O ATOM 924 CB LEU A 84 -6.581 6.899 0.133 1.00 0.00 C ATOM 925 CG LEU A 84 -5.732 6.974 1.407 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.600 7.440 2.567 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.078 5.656 1.774 1.00 0.00 C ATOM 0 H LEU A 84 -4.490 6.528 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.487 4.769 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.403 7.814 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.628 6.910 0.437 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.929 7.683 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.997 7.494 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.008 8.426 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.418 6.735 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.493 5.781 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.847 4.901 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.423 5.337 0.963 1.00 0.00 H new ATOM 939 N GLU A 85 -7.149 6.382 -3.055 1.00 0.00 N ATOM 940 CA GLU A 85 -8.027 6.409 -4.210 1.00 0.00 C ATOM 941 C GLU A 85 -7.677 5.371 -5.302 1.00 0.00 C ATOM 942 O GLU A 85 -8.450 5.212 -6.249 1.00 0.00 O ATOM 943 CB GLU A 85 -7.991 7.808 -4.848 1.00 0.00 C ATOM 944 CG GLU A 85 -8.552 8.932 -3.968 1.00 0.00 C ATOM 945 CD GLU A 85 -8.452 10.316 -4.653 1.00 0.00 C ATOM 946 OE1 GLU A 85 -8.058 10.411 -5.852 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.813 11.330 -4.012 1.00 0.00 O ATOM 0 H GLU A 85 -6.246 6.826 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.018 6.154 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.959 8.048 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.554 7.781 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.595 8.720 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.010 8.956 -3.023 1.00 0.00 H new ATOM 954 N ARG A 86 -6.535 4.666 -5.210 1.00 0.00 N ATOM 955 CA ARG A 86 -5.966 3.835 -6.283 1.00 0.00 C ATOM 956 C ARG A 86 -5.952 2.368 -5.894 1.00 0.00 C ATOM 957 O ARG A 86 -6.217 1.522 -6.737 1.00 0.00 O ATOM 958 CB ARG A 86 -4.532 4.334 -6.578 1.00 0.00 C ATOM 959 CG ARG A 86 -4.391 5.264 -7.800 1.00 0.00 C ATOM 960 CD ARG A 86 -5.176 6.552 -7.495 1.00 0.00 C ATOM 961 NE ARG A 86 -4.948 7.715 -8.361 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.700 8.798 -8.225 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.964 8.736 -7.916 1.00 0.00 N ATOM 964 NH2 ARG A 86 -5.188 9.985 -8.340 1.00 0.00 N ATOM 0 H ARG A 86 -5.967 4.659 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.584 3.924 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.161 4.860 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.888 3.467 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.342 5.491 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.780 4.781 -8.696 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.239 6.312 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.949 6.848 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.212 7.690 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.409 7.830 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.508 9.593 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.193 10.094 -8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.780 10.808 -8.233 1.00 0.00 H new ATOM 978 N LEU A 87 -5.681 2.082 -4.617 1.00 0.00 N ATOM 979 CA LEU A 87 -5.533 0.766 -4.034 1.00 0.00 C ATOM 980 C LEU A 87 -6.677 0.413 -3.080 1.00 0.00 C ATOM 981 O LEU A 87 -6.688 -0.673 -2.504 1.00 0.00 O ATOM 982 CB LEU A 87 -4.137 0.648 -3.405 1.00 0.00 C ATOM 983 CG LEU A 87 -3.071 0.347 -4.460 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.813 1.457 -5.448 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.757 -0.099 -3.833 1.00 0.00 C ATOM 0 H LEU A 87 -5.553 2.821 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.607 0.015 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.889 1.576 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.141 -0.142 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.503 -0.474 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.042 1.145 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.731 1.682 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.479 2.348 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.029 -0.302 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.378 0.689 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.922 -1.004 -3.248 1.00 0.00 H new ATOM 997 N ASN A 88 -7.659 1.304 -2.910 1.00 0.00 N ATOM 998 CA ASN A 88 -8.768 1.066 -2.003 1.00 0.00 C ATOM 999 C ASN A 88 -9.889 0.229 -2.640 1.00 0.00 C ATOM 1000 O ASN A 88 -10.611 0.689 -3.522 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.264 2.387 -1.411 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.171 2.151 -0.227 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.041 1.173 0.485 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.104 3.035 0.011 1.00 0.00 N ATOM 0 H ASN A 88 -7.701 2.200 -3.396 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.401 0.455 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.412 2.993 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.799 2.952 -2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.735 2.910 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.201 3.850 -0.595 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.030 -1.002 -2.142 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.968 -2.029 -2.590 1.00 0.00 C ATOM 1013 C ASN A 89 -10.783 -2.388 -4.082 1.00 0.00 C ATOM 1014 O ASN A 89 -11.739 -2.424 -4.864 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.379 -1.685 -2.082 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.227 -2.928 -1.877 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -14.081 -3.281 -2.684 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -13.018 -3.631 -0.787 1.00 0.00 N ATOM 0 H ASN A 89 -9.454 -1.327 -1.365 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.752 -2.995 -2.133 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.303 -1.139 -1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.871 -1.024 -2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.566 -4.473 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.307 -3.335 -0.118 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.522 -2.647 -4.467 1.00 0.00 N ATOM 1026 CA ILE A 90 -9.095 -3.034 -5.826 1.00 0.00 C ATOM 1027 C ILE A 90 -8.559 -4.447 -5.856 1.00 0.00 C ATOM 1028 O ILE A 90 -7.874 -4.882 -4.932 1.00 0.00 O ATOM 1029 CB ILE A 90 -8.094 -2.041 -6.463 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.712 -1.927 -5.834 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.769 -0.657 -6.481 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.658 -2.952 -6.245 1.00 0.00 C ATOM 0 H ILE A 90 -8.739 -2.591 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.993 -2.995 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.878 -2.445 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.321 -0.935 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.830 -1.983 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.091 0.073 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.685 -0.707 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.009 -0.356 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.726 -2.747 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.006 -3.953 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.489 -2.889 -7.320 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.895 -5.171 -6.920 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.449 -6.537 -7.115 1.00 0.00 C ATOM 1046 C GLU A 91 -6.957 -6.617 -7.435 1.00 0.00 C ATOM 1047 O GLU A 91 -6.444 -6.079 -8.420 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.379 -7.258 -8.074 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.859 -8.581 -8.652 1.00 0.00 C ATOM 1050 CD GLU A 91 -8.485 -8.496 -10.148 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -9.378 -8.261 -10.994 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -7.292 -8.697 -10.477 1.00 0.00 O ATOM 0 H GLU A 91 -9.488 -4.820 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.524 -7.087 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.319 -7.455 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.605 -6.587 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.984 -8.897 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.620 -9.350 -8.519 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.278 -7.300 -6.524 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.838 -7.476 -6.458 1.00 0.00 C ATOM 1061 C PHE A 92 -4.421 -8.712 -7.258 1.00 0.00 C ATOM 1062 O PHE A 92 -4.204 -9.780 -6.684 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.433 -7.574 -4.970 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.987 -7.847 -4.538 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.929 -8.118 -5.437 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.694 -7.761 -3.168 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.608 -8.228 -4.974 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.372 -7.853 -2.697 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.326 -8.045 -3.613 1.00 0.00 C ATOM 0 H PHE A 92 -6.754 -7.778 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.321 -6.627 -6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.729 -6.636 -4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.047 -8.359 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.139 -8.241 -6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.499 -7.621 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.190 -8.453 -5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.164 -7.777 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.698 -8.052 -3.269 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.335 -8.581 -8.592 1.00 0.00 N ATOM 1080 CA ARG A 93 -3.921 -9.641 -9.533 1.00 0.00 C ATOM 1081 C ARG A 93 -4.615 -11.011 -9.308 1.00 0.00 C ATOM 1082 O ARG A 93 -4.059 -12.065 -9.618 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.376 -9.709 -9.527 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.765 -10.323 -10.804 1.00 0.00 C ATOM 1085 CD ARG A 93 -0.267 -10.605 -10.640 1.00 0.00 C ATOM 1086 NE ARG A 93 0.562 -9.401 -10.821 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.808 -9.240 -10.426 1.00 0.00 C ATOM 1088 NH1 ARG A 93 2.442 -10.062 -9.641 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.481 -8.216 -10.836 1.00 0.00 N ATOM 0 H ARG A 93 -4.559 -7.705 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.266 -9.376 -10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.980 -8.702 -9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.053 -10.293 -8.666 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.285 -11.250 -11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.917 -9.644 -11.643 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.086 -11.020 -9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.037 -11.362 -11.363 1.00 0.00 H new ATOM 0 HE ARG A 93 0.127 -8.613 -11.301 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.972 -10.897 -9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.409 -9.872 -9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.047 -7.538 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.446 -8.086 -10.534 1.00 0.00 H new ATOM 1103 N GLY A 94 -5.805 -11.010 -8.700 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.545 -12.204 -8.272 1.00 0.00 C ATOM 1105 C GLY A 94 -7.057 -12.180 -6.819 1.00 0.00 C ATOM 1106 O GLY A 94 -7.978 -12.943 -6.509 1.00 0.00 O ATOM 0 H GLY A 94 -6.300 -10.145 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.398 -12.340 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.901 -13.074 -8.398 1.00 0.00 H new ATOM 1110 N SER A 95 -6.534 -11.316 -5.929 1.00 0.00 N ATOM 1111 CA SER A 95 -7.079 -11.079 -4.592 1.00 0.00 C ATOM 1112 C SER A 95 -7.785 -9.711 -4.606 1.00 0.00 C ATOM 1113 O SER A 95 -8.192 -9.262 -5.676 1.00 0.00 O ATOM 1114 CB SER A 95 -5.941 -11.195 -3.561 1.00 0.00 C ATOM 1115 OG SER A 95 -5.300 -12.461 -3.645 1.00 0.00 O ATOM 0 H SER A 95 -5.705 -10.756 -6.129 1.00 0.00 H new ATOM 0 HA SER A 95 -7.823 -11.821 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.211 -10.403 -3.730 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.340 -11.052 -2.557 1.00 0.00 H new ATOM 0 HG SER A 95 -4.581 -12.508 -2.981 1.00 0.00 H new ATOM 1121 N VAL A 96 -7.963 -9.004 -3.493 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.422 -7.593 -3.479 1.00 0.00 C ATOM 1123 C VAL A 96 -8.070 -6.996 -2.121 1.00 0.00 C ATOM 1124 O VAL A 96 -8.460 -7.573 -1.119 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.936 -7.355 -3.757 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.812 -8.570 -3.526 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.555 -6.123 -3.070 1.00 0.00 C ATOM 0 H VAL A 96 -7.795 -9.385 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.910 -7.111 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.925 -7.142 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.850 -8.317 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.492 -9.380 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.726 -8.889 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.611 -6.053 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.455 -6.220 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.038 -5.223 -3.403 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.461 -5.812 -2.094 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.076 -5.077 -0.870 1.00 0.00 C ATOM 1139 C ILE A 97 -7.914 -3.821 -0.665 1.00 0.00 C ATOM 1140 O ILE A 97 -8.382 -3.214 -1.628 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.590 -4.649 -0.867 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.132 -4.153 -2.256 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.710 -5.780 -0.335 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.680 -3.679 -2.292 1.00 0.00 C ATOM 0 H ILE A 97 -7.209 -5.313 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.252 -5.785 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.482 -3.800 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.260 -4.958 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.780 -3.335 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.667 -5.463 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.010 -6.026 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.824 -6.659 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.431 -3.346 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.550 -2.852 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.022 -4.500 -2.008 1.00 0.00 H new ATOM 1156 N THR A 98 -8.010 -3.388 0.584 1.00 0.00 N ATOM 1157 CA THR A 98 -8.614 -2.130 1.042 1.00 0.00 C ATOM 1158 C THR A 98 -7.533 -1.369 1.798 1.00 0.00 C ATOM 1159 O THR A 98 -6.740 -1.983 2.517 1.00 0.00 O ATOM 1160 CB THR A 98 -9.785 -2.442 1.979 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.752 -3.215 1.286 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.521 -1.234 2.551 1.00 0.00 C ATOM 0 H THR A 98 -7.646 -3.938 1.362 1.00 0.00 H new ATOM 0 HA THR A 98 -8.989 -1.541 0.205 1.00 0.00 H new ATOM 0 HB THR A 98 -9.323 -2.963 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.501 -3.416 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.329 -1.574 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.826 -0.624 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 98 -10.935 -0.641 1.736 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.450 -0.052 1.612 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.319 0.744 2.109 1.00 0.00 C ATOM 1172 C VAL A 99 -6.749 2.098 2.652 1.00 0.00 C ATOM 1173 O VAL A 99 -7.720 2.700 2.181 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.195 0.911 1.069 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -4.755 -0.407 0.435 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.632 1.815 -0.059 1.00 0.00 C ATOM 0 H VAL A 99 -8.156 0.493 1.117 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.911 0.166 2.939 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.360 1.337 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.961 -0.216 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.386 -1.078 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.603 -0.868 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.820 1.916 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.504 1.386 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.888 2.797 0.340 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.001 2.584 3.634 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.403 3.768 4.405 1.00 0.00 C ATOM 1188 C GLU A 100 -5.280 4.363 5.249 1.00 0.00 C ATOM 1189 O GLU A 100 -4.381 3.663 5.720 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.552 3.379 5.367 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.235 2.209 6.323 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.211 1.034 6.149 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.103 0.280 5.153 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -9.061 0.801 7.046 1.00 0.00 O ATOM 0 H GLU A 100 -5.109 2.180 3.921 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.704 4.519 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.819 4.252 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.429 3.117 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.217 1.863 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.276 2.563 7.353 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.385 5.670 5.497 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.581 6.408 6.479 1.00 0.00 C ATOM 1203 C ARG A 101 -4.651 5.751 7.861 1.00 0.00 C ATOM 1204 O ARG A 101 -5.727 5.377 8.334 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.036 7.874 6.474 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.483 8.087 6.955 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.149 9.325 6.329 1.00 0.00 C ATOM 1208 NE ARG A 101 -6.782 10.551 7.053 1.00 0.00 N ATOM 1209 CZ ARG A 101 -7.479 11.660 7.204 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.597 11.885 6.567 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -7.042 12.571 8.013 1.00 0.00 N ATOM 0 H ARG A 101 -6.052 6.265 5.006 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.526 6.380 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.365 8.453 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.939 8.269 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.074 7.203 6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.488 8.188 8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.849 9.413 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.232 9.203 6.341 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.864 10.542 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.965 11.187 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.102 12.759 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -6.170 12.425 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -7.569 13.435 8.141 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.496 5.619 8.507 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.301 4.841 9.738 1.00 0.00 C ATOM 1227 C ASP A 102 -2.683 5.653 10.899 1.00 0.00 C ATOM 1228 O ASP A 102 -2.784 5.245 12.053 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.444 3.611 9.410 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.312 2.654 10.605 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.341 2.106 11.078 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.163 2.441 11.062 1.00 0.00 O ATOM 0 H ASP A 102 -2.638 6.064 8.181 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.285 4.539 10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.886 3.078 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.452 3.936 9.097 1.00 0.00 H new