USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=18 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= 0.437 K(o=0.85,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot 179:sc= 0.414 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.17 (180deg=0.892) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0957 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -162:sc= -0.654 (180deg=-1.09) USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 1.22 (180deg=0.314) USER MOD Single : A 35 ASN : amide:sc= 0.661 K(o=0.66,f=-0.012) USER MOD Single : A 40 CYS SG : rot 7:sc= 0.083 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 1.09 K(o=1.1,f=-0.047) USER MOD Single : A 46 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.659) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -35:sc= 0.0945 USER MOD Single : A 57 THR OG1 : rot 144:sc= 1.2 USER MOD Single : A 59 SER OG : rot 180:sc= 0.015 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -25:sc= 0.0014 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 5.351 15.809 4.432 1.00 0.00 N ATOM 26 CA LYS A 27 4.476 15.086 5.366 1.00 0.00 C ATOM 27 C LYS A 27 5.223 13.933 6.037 1.00 0.00 C ATOM 28 O LYS A 27 6.371 13.625 5.708 1.00 0.00 O ATOM 29 CB LYS A 27 3.269 14.538 4.582 1.00 0.00 C ATOM 30 CG LYS A 27 1.911 14.890 5.198 1.00 0.00 C ATOM 31 CD LYS A 27 1.499 13.994 6.380 1.00 0.00 C ATOM 32 CE LYS A 27 -0.020 13.873 6.534 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.696 15.193 6.656 1.00 0.00 N ATOM 0 HA LYS A 27 4.144 15.770 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.305 14.925 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.355 13.454 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.936 15.926 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.146 14.824 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.926 13.000 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.922 14.398 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.426 13.340 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.244 13.273 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.676 15.053 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.188 15.781 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.698 15.669 5.731 1.00 0.00 H new ATOM 47 N ARG A 28 4.547 13.261 6.965 1.00 0.00 N ATOM 48 CA ARG A 28 4.913 11.992 7.540 1.00 0.00 C ATOM 49 C ARG A 28 3.623 11.238 7.892 1.00 0.00 C ATOM 50 O ARG A 28 2.806 11.745 8.659 1.00 0.00 O ATOM 51 CB ARG A 28 5.794 12.266 8.776 1.00 0.00 C ATOM 52 CG ARG A 28 6.724 11.079 8.946 1.00 0.00 C ATOM 53 CD ARG A 28 8.021 11.283 8.147 1.00 0.00 C ATOM 54 NE ARG A 28 8.884 10.088 8.190 1.00 0.00 N ATOM 55 CZ ARG A 28 8.958 9.122 7.296 1.00 0.00 C ATOM 56 NH1 ARG A 28 8.277 9.149 6.182 1.00 0.00 N ATOM 57 NH2 ARG A 28 9.715 8.087 7.503 1.00 0.00 N ATOM 0 H ARG A 28 3.675 13.621 7.353 1.00 0.00 H new ATOM 0 HA ARG A 28 5.485 11.372 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.365 13.185 8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.177 12.400 9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.959 10.944 10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.225 10.169 8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.777 11.518 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.564 12.139 8.548 1.00 0.00 H new ATOM 0 HE ARG A 28 9.493 9.999 9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.661 9.937 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.361 8.382 5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.259 8.017 8.363 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.766 7.345 6.805 1.00 0.00 H new ATOM 71 N TYR A 29 3.411 10.072 7.287 1.00 0.00 N ATOM 72 CA TYR A 29 2.202 9.255 7.449 1.00 0.00 C ATOM 73 C TYR A 29 2.526 7.758 7.479 1.00 0.00 C ATOM 74 O TYR A 29 3.654 7.335 7.214 1.00 0.00 O ATOM 75 CB TYR A 29 1.216 9.510 6.282 1.00 0.00 C ATOM 76 CG TYR A 29 1.641 8.908 4.960 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.354 7.553 4.692 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.262 9.696 3.970 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.750 6.942 3.495 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.523 9.116 2.724 1.00 0.00 C ATOM 81 CZ TYR A 29 2.279 7.744 2.475 1.00 0.00 C ATOM 82 OH TYR A 29 2.417 7.203 1.239 1.00 0.00 O ATOM 0 H TYR A 29 4.091 9.654 6.652 1.00 0.00 H new ATOM 0 HA TYR A 29 1.753 9.543 8.400 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.240 9.108 6.553 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.094 10.586 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.816 6.973 5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.530 10.723 4.169 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.650 5.875 3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.921 9.731 1.931 1.00 0.00 H new ATOM 0 HH TYR A 29 1.726 6.522 1.101 1.00 0.00 H new ATOM 92 N ARG A 30 1.482 6.961 7.728 1.00 0.00 N ATOM 93 CA ARG A 30 1.454 5.513 7.499 1.00 0.00 C ATOM 94 C ARG A 30 0.015 5.104 7.165 1.00 0.00 C ATOM 95 O ARG A 30 -0.919 5.619 7.783 1.00 0.00 O ATOM 96 CB ARG A 30 2.063 4.839 8.731 1.00 0.00 C ATOM 97 CG ARG A 30 2.504 3.374 8.585 1.00 0.00 C ATOM 98 CD ARG A 30 1.410 2.311 8.767 1.00 0.00 C ATOM 99 NE ARG A 30 0.549 2.429 9.974 1.00 0.00 N ATOM 100 CZ ARG A 30 0.802 2.915 11.184 1.00 0.00 C ATOM 101 NH1 ARG A 30 1.983 3.252 11.606 1.00 0.00 N ATOM 102 NH2 ARG A 30 -0.187 3.111 11.996 1.00 0.00 N ATOM 0 H ARG A 30 0.605 7.318 8.107 1.00 0.00 H new ATOM 0 HA ARG A 30 2.052 5.191 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.929 5.423 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.335 4.893 9.540 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.944 3.246 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.293 3.180 9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.766 2.333 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.889 1.332 8.787 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.400 2.076 9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.792 3.150 10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.102 3.619 12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.139 2.893 11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.014 3.483 12.930 1.00 0.00 H new ATOM 116 N ILE A 31 -0.172 4.249 6.161 1.00 0.00 N ATOM 117 CA ILE A 31 -1.479 3.739 5.702 1.00 0.00 C ATOM 118 C ILE A 31 -1.568 2.242 5.861 1.00 0.00 C ATOM 119 O ILE A 31 -0.547 1.581 5.813 1.00 0.00 O ATOM 120 CB ILE A 31 -1.778 4.074 4.228 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.869 3.360 3.210 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.724 5.575 3.983 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.310 3.548 1.757 1.00 0.00 C ATOM 0 H ILE A 31 0.607 3.874 5.620 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.215 4.239 6.331 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.788 3.698 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.150 3.731 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.848 2.295 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.939 5.780 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.464 6.073 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.730 5.948 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.624 3.018 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.317 3.151 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.304 4.609 1.509 1.00 0.00 H new ATOM 135 N THR A 32 -2.784 1.727 5.956 1.00 0.00 N ATOM 136 CA THR A 32 -3.141 0.304 5.882 1.00 0.00 C ATOM 137 C THR A 32 -3.477 -0.050 4.455 1.00 0.00 C ATOM 138 O THR A 32 -4.118 0.739 3.758 1.00 0.00 O ATOM 139 CB THR A 32 -4.360 0.071 6.783 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.921 0.104 8.119 1.00 0.00 O ATOM 141 CG2 THR A 32 -5.082 -1.259 6.578 1.00 0.00 C ATOM 0 H THR A 32 -3.602 2.320 6.095 1.00 0.00 H new ATOM 0 HA THR A 32 -2.311 -0.320 6.213 1.00 0.00 H new ATOM 0 HB THR A 32 -5.074 0.854 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.683 -0.041 8.718 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.927 -1.323 7.263 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.441 -1.323 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.393 -2.081 6.773 1.00 0.00 H new ATOM 149 N MET A 33 -3.068 -1.257 4.064 1.00 0.00 N ATOM 150 CA MET A 33 -3.467 -1.931 2.834 1.00 0.00 C ATOM 151 C MET A 33 -3.745 -3.397 3.160 1.00 0.00 C ATOM 152 O MET A 33 -2.854 -4.194 3.451 1.00 0.00 O ATOM 153 CB MET A 33 -2.445 -1.781 1.703 1.00 0.00 C ATOM 154 CG MET A 33 -1.958 -0.342 1.502 1.00 0.00 C ATOM 155 SD MET A 33 -1.316 0.159 -0.119 1.00 0.00 S ATOM 156 CE MET A 33 -0.711 -1.413 -0.776 1.00 0.00 C ATOM 0 H MET A 33 -2.421 -1.814 4.622 1.00 0.00 H new ATOM 0 HA MET A 33 -4.371 -1.455 2.454 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.587 -2.420 1.913 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.889 -2.138 0.774 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.788 0.322 1.745 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.175 -0.156 2.237 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.019 -1.222 -1.597 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.196 -1.963 0.012 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.552 -2.003 -1.140 1.00 0.00 H new ATOM 166 N LYS A 34 -5.029 -3.723 3.133 1.00 0.00 N ATOM 167 CA LYS A 34 -5.616 -4.887 3.782 1.00 0.00 C ATOM 168 C LYS A 34 -6.932 -5.264 3.151 1.00 0.00 C ATOM 169 O LYS A 34 -7.541 -4.414 2.514 1.00 0.00 O ATOM 170 CB LYS A 34 -5.942 -4.248 5.146 1.00 0.00 C ATOM 171 CG LYS A 34 -6.942 -4.839 6.122 1.00 0.00 C ATOM 172 CD LYS A 34 -8.375 -4.288 5.901 1.00 0.00 C ATOM 173 CE LYS A 34 -8.539 -2.895 6.540 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.811 -2.240 6.139 1.00 0.00 N ATOM 0 H LYS A 34 -5.720 -3.160 2.637 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.987 -5.777 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.997 -4.168 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.277 -3.232 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.952 -5.924 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.624 -4.621 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.584 -4.228 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.103 -4.976 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.507 -2.989 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.700 -2.263 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.657 -1.217 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.134 -2.635 5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.533 -2.409 6.868 1.00 0.00 H new ATOM 188 N ASN A 35 -7.422 -6.472 3.393 1.00 0.00 N ATOM 189 CA ASN A 35 -8.835 -6.766 3.179 1.00 0.00 C ATOM 190 C ASN A 35 -9.242 -8.070 3.916 1.00 0.00 C ATOM 191 O ASN A 35 -9.397 -8.011 5.134 1.00 0.00 O ATOM 192 CB ASN A 35 -9.234 -6.569 1.690 1.00 0.00 C ATOM 193 CG ASN A 35 -10.459 -7.316 1.212 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.519 -7.295 1.814 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.335 -8.007 0.102 1.00 0.00 N ATOM 0 H ASN A 35 -6.869 -7.258 3.734 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.480 -6.032 3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.396 -5.505 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.389 -6.867 1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.130 -8.532 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.444 -8.019 -0.395 1.00 0.00 H new ATOM 257 N CYS A 40 -1.434 -10.763 2.335 1.00 0.00 N ATOM 258 CA CYS A 40 -0.362 -10.095 1.578 1.00 0.00 C ATOM 259 C CYS A 40 1.029 -10.164 2.268 1.00 0.00 C ATOM 260 O CYS A 40 1.131 -10.329 3.488 1.00 0.00 O ATOM 261 CB CYS A 40 -0.716 -8.617 1.272 1.00 0.00 C ATOM 262 SG CYS A 40 -2.477 -8.182 1.447 1.00 0.00 S ATOM 0 HA CYS A 40 -0.287 -10.654 0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.134 -7.977 1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.403 -8.390 0.253 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.123 -9.187 1.959 1.00 0.00 H new ATOM 268 N SER A 41 2.089 -9.921 1.488 1.00 0.00 N ATOM 269 CA SER A 41 3.499 -9.811 1.918 1.00 0.00 C ATOM 270 C SER A 41 4.174 -8.631 1.203 1.00 0.00 C ATOM 271 O SER A 41 3.660 -8.165 0.177 1.00 0.00 O ATOM 272 CB SER A 41 4.268 -11.108 1.624 1.00 0.00 C ATOM 273 OG SER A 41 3.674 -12.230 2.255 1.00 0.00 O ATOM 0 H SER A 41 1.986 -9.787 0.482 1.00 0.00 H new ATOM 0 HA SER A 41 3.515 -9.640 2.994 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.302 -11.273 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.298 -11.004 1.964 1.00 0.00 H new ATOM 0 HG SER A 41 4.190 -13.036 2.043 1.00 0.00 H new ATOM 279 N TRP A 42 5.313 -8.113 1.695 1.00 0.00 N ATOM 280 CA TRP A 42 5.885 -6.892 1.100 1.00 0.00 C ATOM 281 C TRP A 42 6.257 -7.061 -0.366 1.00 0.00 C ATOM 282 O TRP A 42 5.987 -6.168 -1.164 1.00 0.00 O ATOM 283 CB TRP A 42 7.061 -6.301 1.881 1.00 0.00 C ATOM 284 CG TRP A 42 7.562 -4.963 1.382 1.00 0.00 C ATOM 285 CD1 TRP A 42 8.863 -4.589 1.359 1.00 0.00 C ATOM 286 CD2 TRP A 42 6.830 -3.836 0.780 1.00 0.00 C ATOM 287 NE1 TRP A 42 8.993 -3.354 0.749 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.777 -2.857 0.338 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.470 -3.536 0.522 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.404 -1.699 -0.364 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.083 -2.378 -0.167 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.044 -1.467 -0.623 1.00 0.00 C ATOM 0 H TRP A 42 5.841 -8.504 2.476 1.00 0.00 H new ATOM 0 HA TRP A 42 5.070 -6.171 1.164 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.765 -6.193 2.925 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.887 -7.012 1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.681 -5.170 1.759 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.882 -2.871 0.620 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.708 -4.220 0.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.153 -0.997 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.035 -2.187 -0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.740 -0.588 -1.172 1.00 0.00 H new ATOM 303 N GLN A 43 6.789 -8.217 -0.769 1.00 0.00 N ATOM 304 CA GLN A 43 7.136 -8.436 -2.177 1.00 0.00 C ATOM 305 C GLN A 43 5.940 -8.484 -3.133 1.00 0.00 C ATOM 306 O GLN A 43 6.026 -8.054 -4.291 1.00 0.00 O ATOM 307 CB GLN A 43 8.093 -9.632 -2.313 1.00 0.00 C ATOM 308 CG GLN A 43 7.459 -11.011 -2.032 1.00 0.00 C ATOM 309 CD GLN A 43 7.134 -11.810 -3.294 1.00 0.00 C ATOM 310 OE1 GLN A 43 7.972 -12.031 -4.164 1.00 0.00 O ATOM 311 NE2 GLN A 43 5.926 -12.303 -3.460 1.00 0.00 N ATOM 0 H GLN A 43 6.987 -9.005 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 43 7.669 -7.546 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.503 -9.637 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.930 -9.488 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.139 -11.593 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.544 -10.869 -1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.207 -12.138 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.709 -12.851 -4.293 1.00 0.00 H new ATOM 320 N ASP A 44 4.792 -8.906 -2.619 1.00 0.00 N ATOM 321 CA ASP A 44 3.543 -8.916 -3.359 1.00 0.00 C ATOM 322 C ASP A 44 3.013 -7.489 -3.511 1.00 0.00 C ATOM 323 O ASP A 44 2.675 -7.045 -4.605 1.00 0.00 O ATOM 324 CB ASP A 44 2.543 -9.773 -2.587 1.00 0.00 C ATOM 325 CG ASP A 44 2.779 -11.276 -2.770 1.00 0.00 C ATOM 326 OD1 ASP A 44 3.577 -11.852 -1.993 1.00 0.00 O ATOM 327 OD2 ASP A 44 2.179 -11.878 -3.690 1.00 0.00 O ATOM 0 H ASP A 44 4.704 -9.255 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 44 3.697 -9.328 -4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.604 -9.527 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.533 -9.527 -2.914 1.00 0.00 H new ATOM 332 N LEU A 45 3.003 -6.746 -2.401 1.00 0.00 N ATOM 333 CA LEU A 45 2.607 -5.349 -2.376 1.00 0.00 C ATOM 334 C LEU A 45 3.570 -4.423 -3.135 1.00 0.00 C ATOM 335 O LEU A 45 3.104 -3.426 -3.673 1.00 0.00 O ATOM 336 CB LEU A 45 2.423 -4.969 -0.902 1.00 0.00 C ATOM 337 CG LEU A 45 1.109 -5.484 -0.290 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.001 -4.928 1.117 1.00 0.00 C ATOM 339 CD2 LEU A 45 -0.135 -5.040 -1.071 1.00 0.00 C ATOM 0 H LEU A 45 3.274 -7.109 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 45 1.670 -5.215 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.261 -5.364 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.456 -3.883 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 45 1.139 -6.573 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.076 -5.278 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.851 -5.267 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.998 -3.839 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.028 -5.436 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.184 -3.951 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.077 -5.417 -2.092 1.00 0.00 H new ATOM 351 N LYS A 46 4.863 -4.763 -3.246 1.00 0.00 N ATOM 352 CA LYS A 46 5.835 -4.151 -4.174 1.00 0.00 C ATOM 353 C LYS A 46 5.324 -4.381 -5.574 1.00 0.00 C ATOM 354 O LYS A 46 5.031 -3.402 -6.244 1.00 0.00 O ATOM 355 CB LYS A 46 7.251 -4.733 -3.968 1.00 0.00 C ATOM 356 CG LYS A 46 8.132 -3.800 -3.113 1.00 0.00 C ATOM 357 CD LYS A 46 8.991 -2.845 -3.976 1.00 0.00 C ATOM 358 CE LYS A 46 9.152 -1.418 -3.419 1.00 0.00 C ATOM 359 NZ LYS A 46 7.899 -0.617 -3.506 1.00 0.00 N ATOM 0 H LYS A 46 5.279 -5.497 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 46 5.926 -3.081 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.177 -5.707 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.724 -4.893 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.497 -3.213 -2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.786 -4.401 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.981 -3.284 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.547 -2.781 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.470 -1.474 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.943 -0.906 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.136 0.395 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.374 -0.886 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.311 -0.800 -2.668 1.00 0.00 H new ATOM 373 N ASP A 47 5.114 -5.627 -5.984 1.00 0.00 N ATOM 374 CA ASP A 47 4.610 -5.950 -7.323 1.00 0.00 C ATOM 375 C ASP A 47 3.373 -5.156 -7.703 1.00 0.00 C ATOM 376 O ASP A 47 3.422 -4.427 -8.693 1.00 0.00 O ATOM 377 CB ASP A 47 4.393 -7.465 -7.469 1.00 0.00 C ATOM 378 CG ASP A 47 5.097 -8.055 -8.701 1.00 0.00 C ATOM 379 OD1 ASP A 47 6.306 -7.800 -8.910 1.00 0.00 O ATOM 380 OD2 ASP A 47 4.431 -8.793 -9.472 1.00 0.00 O ATOM 0 H ASP A 47 5.287 -6.445 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 47 5.378 -5.646 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.758 -7.967 -6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.324 -7.669 -7.535 1.00 0.00 H new ATOM 385 N LEU A 48 2.320 -5.177 -6.884 1.00 0.00 N ATOM 386 CA LEU A 48 1.166 -4.340 -7.180 1.00 0.00 C ATOM 387 C LEU A 48 1.524 -2.854 -7.161 1.00 0.00 C ATOM 388 O LEU A 48 1.111 -2.112 -8.046 1.00 0.00 O ATOM 389 CB LEU A 48 -0.051 -4.674 -6.302 1.00 0.00 C ATOM 390 CG LEU A 48 -1.292 -3.841 -6.704 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.598 -4.507 -6.297 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.320 -2.504 -6.003 1.00 0.00 C ATOM 0 H LEU A 48 2.245 -5.745 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 48 0.861 -4.573 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.282 -5.736 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.192 -4.485 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.210 -3.742 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.436 -3.881 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.676 -5.480 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.618 -4.637 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.206 -1.950 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.347 -2.659 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.427 -1.937 -6.266 1.00 0.00 H new ATOM 404 N ALA A 49 2.304 -2.365 -6.215 1.00 0.00 N ATOM 405 CA ALA A 49 2.713 -0.970 -6.229 1.00 0.00 C ATOM 406 C ALA A 49 3.496 -0.571 -7.494 1.00 0.00 C ATOM 407 O ALA A 49 3.487 0.599 -7.886 1.00 0.00 O ATOM 408 CB ALA A 49 3.516 -0.712 -4.969 1.00 0.00 C ATOM 0 H ALA A 49 2.666 -2.908 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 49 1.821 -0.344 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.838 0.329 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.897 -0.917 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.390 -1.363 -4.955 1.00 0.00 H new ATOM 414 N ARG A 50 4.152 -1.522 -8.171 1.00 0.00 N ATOM 415 CA ARG A 50 4.831 -1.280 -9.455 1.00 0.00 C ATOM 416 C ARG A 50 3.820 -1.368 -10.610 1.00 0.00 C ATOM 417 O ARG A 50 4.011 -0.740 -11.651 1.00 0.00 O ATOM 418 CB ARG A 50 6.076 -2.167 -9.630 1.00 0.00 C ATOM 419 CG ARG A 50 6.929 -2.426 -8.366 1.00 0.00 C ATOM 420 CD ARG A 50 7.059 -1.349 -7.272 1.00 0.00 C ATOM 421 NE ARG A 50 8.095 -0.345 -7.594 1.00 0.00 N ATOM 422 CZ ARG A 50 7.916 0.914 -7.968 1.00 0.00 C ATOM 423 NH1 ARG A 50 6.737 1.456 -8.067 1.00 0.00 N ATOM 424 NH2 ARG A 50 8.934 1.676 -8.229 1.00 0.00 N ATOM 0 H ARG A 50 4.228 -2.485 -7.844 1.00 0.00 H new ATOM 0 HA ARG A 50 5.225 -0.264 -9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.754 -3.130 -10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.716 -1.710 -10.384 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.532 -3.322 -7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.938 -2.665 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.099 -0.849 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.301 -1.826 -6.322 1.00 0.00 H new ATOM 0 HE ARG A 50 9.063 -0.658 -7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.904 0.908 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.646 2.429 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.881 1.307 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.786 2.644 -8.516 1.00 0.00 H new ATOM 438 N GLU A 51 2.704 -2.070 -10.388 1.00 0.00 N ATOM 439 CA GLU A 51 1.484 -2.020 -11.231 1.00 0.00 C ATOM 440 C GLU A 51 0.779 -0.661 -11.158 1.00 0.00 C ATOM 441 O GLU A 51 0.101 -0.240 -12.098 1.00 0.00 O ATOM 442 CB GLU A 51 0.423 -3.076 -10.845 1.00 0.00 C ATOM 443 CG GLU A 51 0.923 -4.520 -10.928 1.00 0.00 C ATOM 444 CD GLU A 51 0.920 -5.119 -12.348 1.00 0.00 C ATOM 445 OE1 GLU A 51 1.239 -4.418 -13.333 1.00 0.00 O ATOM 446 OE2 GLU A 51 0.623 -6.332 -12.467 1.00 0.00 O ATOM 0 H GLU A 51 2.612 -2.709 -9.598 1.00 0.00 H new ATOM 0 HA GLU A 51 1.860 -2.217 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.082 -2.878 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.441 -2.964 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.938 -4.563 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.303 -5.143 -10.284 1.00 0.00 H new ATOM 453 N ASN A 52 0.954 0.018 -10.026 1.00 0.00 N ATOM 454 CA ASN A 52 0.170 1.175 -9.619 1.00 0.00 C ATOM 455 C ASN A 52 0.957 2.486 -9.429 1.00 0.00 C ATOM 456 O ASN A 52 0.354 3.520 -9.143 1.00 0.00 O ATOM 457 CB ASN A 52 -0.567 0.705 -8.357 1.00 0.00 C ATOM 458 CG ASN A 52 -1.882 0.047 -8.713 1.00 0.00 C ATOM 459 OD1 ASN A 52 -1.888 -1.258 -8.805 1.00 0.00 O flip ATOM 460 ND2 ASN A 52 -2.897 0.688 -8.938 1.00 0.00 N flip ATOM 0 H ASN A 52 1.671 -0.234 -9.346 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.511 1.474 -10.416 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.058 0.002 -7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.747 1.555 -7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.885 1.705 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.757 0.206 -9.200 1.00 0.00 H new ATOM 467 N SER A 53 2.279 2.464 -9.643 1.00 0.00 N ATOM 468 CA SER A 53 3.172 3.643 -9.603 1.00 0.00 C ATOM 469 C SER A 53 3.218 4.285 -8.206 1.00 0.00 C ATOM 470 O SER A 53 3.283 5.506 -8.041 1.00 0.00 O ATOM 471 CB SER A 53 2.823 4.654 -10.705 1.00 0.00 C ATOM 472 OG SER A 53 2.901 4.049 -11.989 1.00 0.00 O ATOM 0 H SER A 53 2.778 1.600 -9.856 1.00 0.00 H new ATOM 0 HA SER A 53 4.183 3.291 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.818 5.044 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.506 5.502 -10.656 1.00 0.00 H new ATOM 0 HG SER A 53 2.673 4.710 -12.676 1.00 0.00 H new ATOM 478 N LEU A 54 3.122 3.425 -7.192 1.00 0.00 N ATOM 479 CA LEU A 54 3.019 3.786 -5.771 1.00 0.00 C ATOM 480 C LEU A 54 4.377 4.209 -5.185 1.00 0.00 C ATOM 481 O LEU A 54 4.424 5.064 -4.309 1.00 0.00 O ATOM 482 CB LEU A 54 2.465 2.550 -5.018 1.00 0.00 C ATOM 483 CG LEU A 54 1.125 2.616 -4.268 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.316 2.846 -2.764 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.132 3.628 -4.830 1.00 0.00 C ATOM 0 H LEU A 54 3.113 2.416 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 54 2.355 4.643 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.384 1.742 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.222 2.252 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 54 0.684 1.632 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.342 2.886 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.901 2.028 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.841 3.788 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.784 3.606 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.567 4.627 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.098 3.376 -5.865 1.00 0.00 H new ATOM 497 N GLU A 55 5.470 3.634 -5.707 1.00 0.00 N ATOM 498 CA GLU A 55 6.875 3.691 -5.279 1.00 0.00 C ATOM 499 C GLU A 55 7.124 3.309 -3.814 1.00 0.00 C ATOM 500 O GLU A 55 7.639 2.240 -3.469 1.00 0.00 O ATOM 501 CB GLU A 55 7.437 5.090 -5.578 1.00 0.00 C ATOM 502 CG GLU A 55 7.147 5.685 -6.951 1.00 0.00 C ATOM 503 CD GLU A 55 7.528 4.737 -8.093 1.00 0.00 C ATOM 504 OE1 GLU A 55 8.735 4.501 -8.338 1.00 0.00 O ATOM 505 OE2 GLU A 55 6.622 4.119 -8.703 1.00 0.00 O ATOM 0 H GLU A 55 5.379 3.049 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 55 7.400 2.928 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.050 5.776 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.519 5.053 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.087 5.927 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.695 6.621 -7.061 1.00 0.00 H new ATOM 512 N THR A 56 6.659 4.227 -2.994 1.00 0.00 N ATOM 513 CA THR A 56 6.769 4.453 -1.564 1.00 0.00 C ATOM 514 C THR A 56 8.187 4.330 -0.961 1.00 0.00 C ATOM 515 O THR A 56 9.168 4.113 -1.684 1.00 0.00 O ATOM 516 CB THR A 56 5.767 3.569 -0.799 1.00 0.00 C ATOM 517 OG1 THR A 56 6.289 2.263 -0.710 1.00 0.00 O ATOM 518 CG2 THR A 56 4.391 3.476 -1.464 1.00 0.00 C ATOM 0 H THR A 56 6.088 4.971 -3.395 1.00 0.00 H new ATOM 0 HA THR A 56 6.521 5.507 -1.436 1.00 0.00 H new ATOM 0 HB THR A 56 5.629 4.034 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.792 2.056 -1.525 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.741 2.837 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.954 4.472 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.498 3.053 -2.463 1.00 0.00 H new ATOM 526 N THR A 57 8.319 4.484 0.355 1.00 0.00 N ATOM 527 CA THR A 57 9.560 4.174 1.087 1.00 0.00 C ATOM 528 C THR A 57 9.604 2.686 1.398 1.00 0.00 C ATOM 529 O THR A 57 10.590 2.003 1.110 1.00 0.00 O ATOM 530 CB THR A 57 9.618 4.881 2.453 1.00 0.00 C ATOM 531 OG1 THR A 57 9.296 6.243 2.329 1.00 0.00 O ATOM 532 CG2 THR A 57 10.995 4.804 3.113 1.00 0.00 C ATOM 0 H THR A 57 7.568 4.829 0.953 1.00 0.00 H new ATOM 0 HA THR A 57 10.384 4.502 0.454 1.00 0.00 H new ATOM 0 HB THR A 57 8.893 4.355 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.787 6.532 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.968 5.321 4.072 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.265 3.760 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.735 5.276 2.467 1.00 0.00 H new ATOM 540 N PHE A 58 8.527 2.202 2.025 1.00 0.00 N ATOM 541 CA PHE A 58 8.448 0.894 2.659 1.00 0.00 C ATOM 542 C PHE A 58 7.032 0.551 3.125 1.00 0.00 C ATOM 543 O PHE A 58 6.163 1.424 3.195 1.00 0.00 O ATOM 544 CB PHE A 58 9.404 0.895 3.870 1.00 0.00 C ATOM 545 CG PHE A 58 8.846 1.073 5.273 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.625 2.357 5.801 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.611 -0.058 6.087 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.137 2.505 7.113 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.117 0.091 7.396 1.00 0.00 C ATOM 550 CZ PHE A 58 7.874 1.375 7.905 1.00 0.00 C ATOM 0 H PHE A 58 7.660 2.733 2.104 1.00 0.00 H new ATOM 0 HA PHE A 58 8.730 0.138 1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.950 -0.049 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.134 1.688 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.830 3.230 5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.813 -1.046 5.701 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.964 3.493 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.926 -0.779 8.006 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.485 1.495 8.905 1.00 0.00 H new ATOM 560 N SER A 59 6.841 -0.703 3.542 1.00 0.00 N ATOM 561 CA SER A 59 5.654 -1.156 4.272 1.00 0.00 C ATOM 562 C SER A 59 5.996 -2.144 5.378 1.00 0.00 C ATOM 563 O SER A 59 6.861 -3.010 5.225 1.00 0.00 O ATOM 564 CB SER A 59 4.694 -1.871 3.330 1.00 0.00 C ATOM 565 OG SER A 59 3.589 -2.405 4.021 1.00 0.00 O ATOM 0 H SER A 59 7.520 -1.446 3.379 1.00 0.00 H new ATOM 0 HA SER A 59 5.206 -0.261 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.345 -1.174 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.221 -2.672 2.812 1.00 0.00 H new ATOM 0 HG SER A 59 2.993 -2.855 3.387 1.00 0.00 H new ATOM 571 N SER A 60 5.244 -2.051 6.469 1.00 0.00 N ATOM 572 CA SER A 60 5.183 -3.083 7.508 1.00 0.00 C ATOM 573 C SER A 60 4.234 -4.179 7.002 1.00 0.00 C ATOM 574 O SER A 60 3.031 -3.942 6.890 1.00 0.00 O ATOM 575 CB SER A 60 4.644 -2.490 8.811 1.00 0.00 C ATOM 576 OG SER A 60 5.590 -1.609 9.394 1.00 0.00 O ATOM 0 H SER A 60 4.649 -1.246 6.663 1.00 0.00 H new ATOM 0 HA SER A 60 6.176 -3.487 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.715 -1.955 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.408 -3.292 9.510 1.00 0.00 H new ATOM 0 HG SER A 60 5.224 -1.240 10.225 1.00 0.00 H new ATOM 582 N VAL A 61 4.763 -5.354 6.646 1.00 0.00 N ATOM 583 CA VAL A 61 3.982 -6.558 6.288 1.00 0.00 C ATOM 584 C VAL A 61 4.513 -7.784 7.034 1.00 0.00 C ATOM 585 O VAL A 61 5.615 -7.750 7.586 1.00 0.00 O ATOM 586 CB VAL A 61 3.947 -6.820 4.755 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.611 -7.456 4.347 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.074 -5.564 3.886 1.00 0.00 C ATOM 0 H VAL A 61 5.770 -5.505 6.595 1.00 0.00 H new ATOM 0 HA VAL A 61 2.954 -6.370 6.597 1.00 0.00 H new ATOM 0 HB VAL A 61 4.808 -7.466 4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.605 -7.632 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.484 -8.404 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.793 -6.785 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.039 -5.845 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.252 -4.884 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.022 -5.069 4.098 1.00 0.00 H new ATOM 701 N THR A 69 -1.573 -8.097 6.271 1.00 0.00 N ATOM 702 CA THR A 69 -1.892 -6.708 5.892 1.00 0.00 C ATOM 703 C THR A 69 -0.618 -5.900 5.737 1.00 0.00 C ATOM 704 O THR A 69 0.252 -5.925 6.616 1.00 0.00 O ATOM 705 CB THR A 69 -2.790 -5.974 6.908 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.233 -5.895 8.198 1.00 0.00 O ATOM 707 CG2 THR A 69 -4.128 -6.672 7.079 1.00 0.00 C ATOM 0 HA THR A 69 -2.439 -6.785 4.952 1.00 0.00 H new ATOM 0 HB THR A 69 -2.900 -4.975 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.602 -6.634 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.733 -6.126 7.802 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.647 -6.703 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.965 -7.689 7.436 1.00 0.00 H new ATOM 715 N GLY A 70 -0.516 -5.157 4.642 1.00 0.00 N ATOM 716 CA GLY A 70 0.525 -4.156 4.501 1.00 0.00 C ATOM 717 C GLY A 70 0.167 -2.894 5.272 1.00 0.00 C ATOM 718 O GLY A 70 -1.010 -2.580 5.475 1.00 0.00 O ATOM 0 H GLY A 70 -1.143 -5.231 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.471 -4.555 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.665 -3.916 3.447 1.00 0.00 H new ATOM 722 N ALA A 71 1.190 -2.148 5.658 1.00 0.00 N ATOM 723 CA ALA A 71 1.033 -0.814 6.192 1.00 0.00 C ATOM 724 C ALA A 71 2.171 0.105 5.700 1.00 0.00 C ATOM 725 O ALA A 71 3.272 0.122 6.255 1.00 0.00 O ATOM 726 CB ALA A 71 0.827 -0.883 7.707 1.00 0.00 C ATOM 0 H ALA A 71 2.160 -2.459 5.607 1.00 0.00 H new ATOM 0 HA ALA A 71 0.129 -0.341 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.709 0.125 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.067 -1.466 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.692 -1.357 8.171 1.00 0.00 H new ATOM 732 N LEU A 72 1.902 0.806 4.591 1.00 0.00 N ATOM 733 CA LEU A 72 2.858 1.577 3.783 1.00 0.00 C ATOM 734 C LEU A 72 3.197 2.940 4.394 1.00 0.00 C ATOM 735 O LEU A 72 2.414 3.503 5.153 1.00 0.00 O ATOM 736 CB LEU A 72 2.254 1.847 2.399 1.00 0.00 C ATOM 737 CG LEU A 72 2.479 0.837 1.270 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.930 0.866 0.813 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.945 -0.560 1.566 1.00 0.00 C ATOM 0 H LEU A 72 0.957 0.853 4.211 1.00 0.00 H new ATOM 0 HA LEU A 72 3.768 0.978 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.177 1.959 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.636 2.809 2.058 1.00 0.00 H new ATOM 0 HG LEU A 72 1.868 1.155 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.073 0.143 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.177 1.864 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.580 0.612 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.145 -1.213 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.438 -0.957 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.870 -0.509 1.740 1.00 0.00 H new ATOM 751 N GLU A 73 4.307 3.521 3.948 1.00 0.00 N ATOM 752 CA GLU A 73 4.795 4.851 4.392 1.00 0.00 C ATOM 753 C GLU A 73 5.447 5.715 3.269 1.00 0.00 C ATOM 754 O GLU A 73 6.084 5.170 2.363 1.00 0.00 O ATOM 755 CB GLU A 73 5.822 4.592 5.501 1.00 0.00 C ATOM 756 CG GLU A 73 6.446 5.848 6.136 1.00 0.00 C ATOM 757 CD GLU A 73 7.897 6.094 5.684 1.00 0.00 C ATOM 758 OE1 GLU A 73 8.123 6.826 4.689 1.00 0.00 O ATOM 759 OE2 GLU A 73 8.844 5.690 6.390 1.00 0.00 O ATOM 0 H GLU A 73 4.914 3.084 3.255 1.00 0.00 H new ATOM 0 HA GLU A 73 3.935 5.430 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.342 4.009 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.624 3.977 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.840 6.717 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.421 5.750 7.221 1.00 0.00 H new ATOM 766 N PHE A 74 5.343 7.058 3.372 1.00 0.00 N ATOM 767 CA PHE A 74 6.118 8.006 2.544 1.00 0.00 C ATOM 768 C PHE A 74 6.379 9.410 3.168 1.00 0.00 C ATOM 769 O PHE A 74 5.585 9.884 3.988 1.00 0.00 O ATOM 770 CB PHE A 74 5.408 8.258 1.200 1.00 0.00 C ATOM 771 CG PHE A 74 6.377 8.631 0.092 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.353 7.709 -0.312 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.407 9.934 -0.439 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.340 8.064 -1.247 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.399 10.304 -1.361 1.00 0.00 C ATOM 776 CZ PHE A 74 8.365 9.367 -1.769 1.00 0.00 C ATOM 0 H PHE A 74 4.717 7.516 4.034 1.00 0.00 H new ATOM 0 HA PHE A 74 7.082 7.507 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.857 7.363 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.677 9.057 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.346 6.711 0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.662 10.654 -0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.075 7.339 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.420 11.309 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.125 9.649 -2.483 1.00 0.00 H new ATOM 786 N PRO A 75 7.441 10.131 2.731 1.00 0.00 N ATOM 787 CA PRO A 75 7.707 11.562 2.968 1.00 0.00 C ATOM 788 C PRO A 75 6.652 12.619 2.565 1.00 0.00 C ATOM 789 O PRO A 75 6.869 13.790 2.898 1.00 0.00 O ATOM 790 CB PRO A 75 8.986 11.838 2.162 1.00 0.00 C ATOM 791 CG PRO A 75 9.786 10.565 2.375 1.00 0.00 C ATOM 792 CD PRO A 75 8.692 9.507 2.294 1.00 0.00 C ATOM 0 HA PRO A 75 7.742 11.685 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.772 12.012 1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.516 12.717 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.549 10.426 1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.296 10.556 3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.597 9.131 1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.936 8.654 2.927 1.00 0.00 H new ATOM 800 N SER A 76 5.562 12.269 1.872 1.00 0.00 N ATOM 801 CA SER A 76 4.543 13.219 1.379 1.00 0.00 C ATOM 802 C SER A 76 3.177 12.554 1.258 1.00 0.00 C ATOM 803 O SER A 76 3.068 11.539 0.571 1.00 0.00 O ATOM 804 CB SER A 76 4.861 13.670 -0.041 1.00 0.00 C ATOM 805 OG SER A 76 6.151 14.238 -0.188 1.00 0.00 O ATOM 0 H SER A 76 5.354 11.300 1.631 1.00 0.00 H new ATOM 0 HA SER A 76 4.541 14.043 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.773 12.815 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.115 14.400 -0.355 1.00 0.00 H new ATOM 0 HG SER A 76 6.287 14.503 -1.122 1.00 0.00 H new ATOM 811 N GLU A 77 2.115 13.146 1.818 1.00 0.00 N ATOM 812 CA GLU A 77 0.761 12.579 1.707 1.00 0.00 C ATOM 813 C GLU A 77 0.240 12.440 0.269 1.00 0.00 C ATOM 814 O GLU A 77 -0.754 11.754 0.080 1.00 0.00 O ATOM 815 CB GLU A 77 -0.273 13.261 2.597 1.00 0.00 C ATOM 816 CG GLU A 77 -0.564 14.717 2.244 1.00 0.00 C ATOM 817 CD GLU A 77 -1.436 15.336 3.353 1.00 0.00 C ATOM 818 OE1 GLU A 77 -2.559 14.834 3.616 1.00 0.00 O ATOM 819 OE2 GLU A 77 -0.967 16.264 4.060 1.00 0.00 O ATOM 0 H GLU A 77 2.164 14.014 2.351 1.00 0.00 H new ATOM 0 HA GLU A 77 0.894 11.566 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.204 12.697 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.071 13.215 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.368 15.274 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.077 14.777 1.284 1.00 0.00 H new ATOM 826 N GLU A 78 0.909 13.042 -0.715 1.00 0.00 N ATOM 827 CA GLU A 78 0.733 12.746 -2.141 1.00 0.00 C ATOM 828 C GLU A 78 0.599 11.245 -2.324 1.00 0.00 C ATOM 829 O GLU A 78 -0.472 10.793 -2.689 1.00 0.00 O ATOM 830 CB GLU A 78 1.943 13.284 -2.933 1.00 0.00 C ATOM 831 CG GLU A 78 2.111 14.808 -2.872 1.00 0.00 C ATOM 832 CD GLU A 78 3.393 15.248 -3.601 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.380 15.343 -4.860 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.423 15.504 -2.934 1.00 0.00 O ATOM 0 H GLU A 78 1.605 13.767 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.169 13.231 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.850 12.815 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.843 12.983 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.246 15.292 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.149 15.132 -1.832 1.00 0.00 H new ATOM 841 N ILE A 79 1.608 10.465 -1.938 1.00 0.00 N ATOM 842 CA ILE A 79 1.635 9.020 -2.190 1.00 0.00 C ATOM 843 C ILE A 79 0.536 8.280 -1.420 1.00 0.00 C ATOM 844 O ILE A 79 -0.078 7.343 -1.940 1.00 0.00 O ATOM 845 CB ILE A 79 3.054 8.497 -1.883 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.072 9.326 -2.705 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.146 6.985 -2.112 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.281 8.622 -3.323 1.00 0.00 C ATOM 0 H ILE A 79 2.429 10.813 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 79 1.414 8.824 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 79 3.297 8.632 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.524 9.809 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.449 10.118 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.157 6.644 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.438 6.474 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.909 6.759 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.888 9.349 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.878 8.164 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.939 7.851 -4.013 1.00 0.00 H new ATOM 860 N LEU A 80 0.236 8.761 -0.211 1.00 0.00 N ATOM 861 CA LEU A 80 -0.838 8.263 0.629 1.00 0.00 C ATOM 862 C LEU A 80 -2.204 8.435 -0.059 1.00 0.00 C ATOM 863 O LEU A 80 -2.862 7.446 -0.365 1.00 0.00 O ATOM 864 CB LEU A 80 -0.711 8.946 2.016 1.00 0.00 C ATOM 865 CG LEU A 80 -1.940 9.502 2.751 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.989 8.475 3.125 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.505 10.079 4.085 1.00 0.00 C ATOM 0 H LEU A 80 0.753 9.530 0.216 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.759 7.187 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.242 8.223 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.010 9.773 1.899 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.368 10.217 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.814 8.968 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.361 7.990 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.547 7.727 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.374 10.475 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.042 9.296 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.786 10.881 3.917 1.00 0.00 H new ATOM 879 N VAL A 81 -2.605 9.675 -0.357 1.00 0.00 N ATOM 880 CA VAL A 81 -3.890 10.062 -0.978 1.00 0.00 C ATOM 881 C VAL A 81 -4.076 9.392 -2.339 1.00 0.00 C ATOM 882 O VAL A 81 -5.149 8.894 -2.665 1.00 0.00 O ATOM 883 CB VAL A 81 -3.918 11.596 -1.171 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.142 12.093 -1.950 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.926 12.352 0.158 1.00 0.00 C ATOM 0 H VAL A 81 -2.015 10.484 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.696 9.739 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.007 11.797 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.096 13.178 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.151 11.640 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.051 11.815 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.946 13.425 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.809 12.070 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.029 12.101 0.725 1.00 0.00 H new ATOM 895 N GLU A 82 -3.008 9.350 -3.117 1.00 0.00 N ATOM 896 CA GLU A 82 -2.889 8.731 -4.418 1.00 0.00 C ATOM 897 C GLU A 82 -3.249 7.246 -4.293 1.00 0.00 C ATOM 898 O GLU A 82 -4.283 6.858 -4.832 1.00 0.00 O ATOM 899 CB GLU A 82 -1.454 9.119 -4.750 1.00 0.00 C ATOM 900 CG GLU A 82 -0.688 8.855 -6.007 1.00 0.00 C ATOM 901 CD GLU A 82 -1.437 9.227 -7.290 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.885 10.388 -7.436 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.621 8.354 -8.165 1.00 0.00 O ATOM 0 H GLU A 82 -2.132 9.785 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.552 9.034 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.416 10.200 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.852 8.680 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.248 9.412 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.428 7.797 -6.045 1.00 0.00 H new ATOM 910 N ALA A 83 -2.559 6.462 -3.460 1.00 0.00 N ATOM 911 CA ALA A 83 -2.960 5.087 -3.090 1.00 0.00 C ATOM 912 C ALA A 83 -4.410 4.981 -2.565 1.00 0.00 C ATOM 913 O ALA A 83 -5.126 4.063 -2.959 1.00 0.00 O ATOM 914 CB ALA A 83 -1.966 4.575 -2.047 1.00 0.00 C ATOM 0 H ALA A 83 -1.692 6.762 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.940 4.473 -3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.236 3.561 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.962 4.575 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.990 5.224 -1.172 1.00 0.00 H new ATOM 920 N LEU A 84 -4.889 5.938 -1.772 1.00 0.00 N ATOM 921 CA LEU A 84 -6.280 5.984 -1.254 1.00 0.00 C ATOM 922 C LEU A 84 -7.300 6.176 -2.371 1.00 0.00 C ATOM 923 O LEU A 84 -8.469 5.828 -2.205 1.00 0.00 O ATOM 924 CB LEU A 84 -6.537 7.080 -0.198 1.00 0.00 C ATOM 925 CG LEU A 84 -5.692 7.108 1.067 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.527 7.678 2.201 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.183 5.734 1.458 1.00 0.00 C ATOM 0 H LEU A 84 -4.320 6.724 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.402 5.013 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.420 8.045 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.581 7.003 0.107 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.819 7.731 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.932 7.703 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.844 8.689 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.405 7.051 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.586 5.812 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.029 5.070 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.568 5.331 0.653 1.00 0.00 H new ATOM 939 N GLU A 85 -6.859 6.699 -3.505 1.00 0.00 N ATOM 940 CA GLU A 85 -7.668 6.797 -4.705 1.00 0.00 C ATOM 941 C GLU A 85 -7.327 5.731 -5.774 1.00 0.00 C ATOM 942 O GLU A 85 -8.071 5.596 -6.750 1.00 0.00 O ATOM 943 CB GLU A 85 -7.500 8.197 -5.324 1.00 0.00 C ATOM 944 CG GLU A 85 -8.019 9.363 -4.472 1.00 0.00 C ATOM 945 CD GLU A 85 -7.710 10.738 -5.116 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.299 10.808 -6.304 1.00 0.00 O ATOM 947 OE2 GLU A 85 -7.914 11.774 -4.435 1.00 0.00 O ATOM 0 H GLU A 85 -5.916 7.072 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.698 6.620 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.442 8.361 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.015 8.215 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.096 9.261 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.566 9.317 -3.481 1.00 0.00 H new ATOM 954 N ARG A 86 -6.223 4.972 -5.631 1.00 0.00 N ATOM 955 CA ARG A 86 -5.651 4.101 -6.670 1.00 0.00 C ATOM 956 C ARG A 86 -5.763 2.626 -6.311 1.00 0.00 C ATOM 957 O ARG A 86 -5.833 1.797 -7.209 1.00 0.00 O ATOM 958 CB ARG A 86 -4.174 4.524 -6.895 1.00 0.00 C ATOM 959 CG ARG A 86 -3.887 5.422 -8.114 1.00 0.00 C ATOM 960 CD ARG A 86 -4.904 6.580 -8.180 1.00 0.00 C ATOM 961 NE ARG A 86 -4.371 7.922 -8.462 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.104 9.009 -8.269 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.405 8.989 -8.301 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.574 10.158 -7.991 1.00 0.00 N ATOM 0 H ARG A 86 -5.690 4.949 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.217 4.222 -7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.830 5.044 -6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.572 3.620 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.875 5.822 -8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.939 4.832 -9.029 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.641 6.340 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.435 6.619 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.418 8.018 -8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.897 8.114 -8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.932 9.849 -8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.561 10.247 -7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.170 10.974 -7.849 1.00 0.00 H new ATOM 978 N LEU A 87 -5.809 2.314 -5.009 1.00 0.00 N ATOM 979 CA LEU A 87 -5.796 0.990 -4.422 1.00 0.00 C ATOM 980 C LEU A 87 -6.959 0.766 -3.435 1.00 0.00 C ATOM 981 O LEU A 87 -7.066 -0.304 -2.837 1.00 0.00 O ATOM 982 CB LEU A 87 -4.439 0.780 -3.725 1.00 0.00 C ATOM 983 CG LEU A 87 -3.240 0.488 -4.617 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.832 1.604 -5.542 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.031 0.037 -3.808 1.00 0.00 C ATOM 0 H LEU A 87 -5.860 3.042 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.932 0.258 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.217 1.673 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.545 -0.044 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.593 -0.322 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.970 1.291 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.660 1.844 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.571 2.485 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.197 -0.161 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.751 0.821 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.279 -0.872 -3.259 1.00 0.00 H new ATOM 997 N ASN A 88 -7.850 1.741 -3.225 1.00 0.00 N ATOM 998 CA ASN A 88 -9.002 1.565 -2.344 1.00 0.00 C ATOM 999 C ASN A 88 -10.058 0.623 -2.942 1.00 0.00 C ATOM 1000 O ASN A 88 -10.835 1.003 -3.824 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.560 2.928 -1.928 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.727 2.787 -0.961 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -11.890 2.789 -1.338 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -10.452 2.621 0.302 1.00 0.00 N ATOM 0 H ASN A 88 -7.792 2.663 -3.657 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.670 1.063 -1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.770 3.518 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.885 3.474 -2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.207 2.493 0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.482 2.619 0.617 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.074 -0.607 -2.428 1.00 0.00 N ATOM 1012 CA ASN A 89 -11.023 -1.671 -2.741 1.00 0.00 C ATOM 1013 C ASN A 89 -10.938 -2.061 -4.238 1.00 0.00 C ATOM 1014 O ASN A 89 -11.937 -2.146 -4.953 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.380 -1.303 -2.119 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.342 -2.476 -2.049 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -14.266 -2.618 -2.844 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -13.165 -3.345 -1.077 1.00 0.00 N ATOM 0 H ASN A 89 -9.382 -0.903 -1.740 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.786 -2.628 -2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.218 -0.913 -1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.835 -0.502 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.797 -4.140 -0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.396 -3.224 -0.418 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.692 -2.262 -4.695 1.00 0.00 N ATOM 1026 CA ILE A 90 -9.299 -2.652 -6.063 1.00 0.00 C ATOM 1027 C ILE A 90 -9.013 -4.145 -6.104 1.00 0.00 C ATOM 1028 O ILE A 90 -8.546 -4.706 -5.109 1.00 0.00 O ATOM 1029 CB ILE A 90 -8.048 -1.872 -6.550 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.749 -2.213 -5.788 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.396 -0.380 -6.567 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.488 -1.947 -6.608 1.00 0.00 C ATOM 0 H ILE A 90 -8.882 -2.151 -4.085 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.126 -2.407 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.804 -2.191 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.709 -1.627 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.771 -3.263 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.532 0.191 -6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.233 -0.209 -7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.671 -0.059 -5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.609 -2.206 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.509 -2.553 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.445 -0.892 -6.878 1.00 0.00 H new ATOM 1044 N GLU A 91 -9.219 -4.784 -7.245 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.855 -6.187 -7.438 1.00 0.00 C ATOM 1046 C GLU A 91 -7.387 -6.320 -7.893 1.00 0.00 C ATOM 1047 O GLU A 91 -7.016 -6.048 -9.037 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.855 -6.864 -8.371 1.00 0.00 C ATOM 1049 CG GLU A 91 -9.815 -8.393 -8.319 1.00 0.00 C ATOM 1050 CD GLU A 91 -10.577 -9.018 -9.503 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -11.832 -8.967 -9.524 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -9.928 -9.570 -10.422 1.00 0.00 O ATOM 0 H GLU A 91 -9.642 -4.349 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.913 -6.715 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.860 -6.528 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.660 -6.540 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.779 -8.732 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.251 -8.738 -7.381 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.545 -6.730 -6.950 1.00 0.00 N ATOM 1060 CA PHE A 92 -5.139 -7.108 -7.100 1.00 0.00 C ATOM 1061 C PHE A 92 -4.992 -8.416 -7.888 1.00 0.00 C ATOM 1062 O PHE A 92 -4.797 -9.479 -7.293 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.550 -7.232 -5.683 1.00 0.00 C ATOM 1064 CG PHE A 92 -3.068 -7.557 -5.481 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -2.204 -7.902 -6.551 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.552 -7.535 -4.175 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.867 -8.252 -6.301 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.209 -7.868 -3.925 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.371 -8.236 -4.996 1.00 0.00 C ATOM 0 H PHE A 92 -6.851 -6.814 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.599 -6.352 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.745 -6.290 -5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.121 -8.002 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.576 -7.896 -7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.195 -7.259 -3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.221 -8.534 -7.120 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.822 -7.842 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.657 -8.506 -4.807 1.00 0.00 H new ATOM 1079 N ARG A 93 -5.102 -8.342 -9.219 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.948 -9.439 -10.206 1.00 0.00 C ATOM 1081 C ARG A 93 -5.884 -10.661 -10.050 1.00 0.00 C ATOM 1082 O ARG A 93 -5.949 -11.508 -10.941 1.00 0.00 O ATOM 1083 CB ARG A 93 -3.488 -9.939 -10.223 1.00 0.00 C ATOM 1084 CG ARG A 93 -2.428 -8.877 -10.551 1.00 0.00 C ATOM 1085 CD ARG A 93 -1.051 -9.501 -10.302 1.00 0.00 C ATOM 1086 NE ARG A 93 0.049 -8.613 -10.712 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.315 -8.744 -10.372 1.00 0.00 C ATOM 1088 NH1 ARG A 93 1.757 -9.640 -9.533 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.202 -7.959 -10.882 1.00 0.00 N ATOM 0 H ARG A 93 -5.316 -7.456 -9.676 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.243 -8.973 -11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.258 -10.367 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.407 -10.745 -10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.519 -8.553 -11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.566 -7.994 -9.928 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.948 -9.737 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.977 -10.442 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.191 -7.825 -11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.107 -10.294 -9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.752 -9.686 -9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.923 -7.238 -11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.183 -8.059 -10.620 1.00 0.00 H new ATOM 1103 N GLY A 94 -6.575 -10.768 -8.917 1.00 0.00 N ATOM 1104 CA GLY A 94 -7.333 -11.926 -8.452 1.00 0.00 C ATOM 1105 C GLY A 94 -7.648 -11.855 -6.947 1.00 0.00 C ATOM 1106 O GLY A 94 -8.649 -12.437 -6.517 1.00 0.00 O ATOM 0 H GLY A 94 -6.623 -9.994 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.265 -11.996 -9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.767 -12.834 -8.660 1.00 0.00 H new ATOM 1110 N SER A 95 -6.853 -11.131 -6.139 1.00 0.00 N ATOM 1111 CA SER A 95 -7.192 -10.772 -4.770 1.00 0.00 C ATOM 1112 C SER A 95 -7.818 -9.382 -4.841 1.00 0.00 C ATOM 1113 O SER A 95 -7.975 -8.813 -5.918 1.00 0.00 O ATOM 1114 CB SER A 95 -5.907 -10.715 -3.934 1.00 0.00 C ATOM 1115 OG SER A 95 -5.242 -11.967 -3.947 1.00 0.00 O ATOM 0 H SER A 95 -5.943 -10.778 -6.434 1.00 0.00 H new ATOM 0 HA SER A 95 -7.871 -11.493 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.246 -9.943 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.147 -10.436 -2.908 1.00 0.00 H new ATOM 0 HG SER A 95 -4.425 -11.909 -3.410 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.132 -8.774 -3.713 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.501 -7.347 -3.651 1.00 0.00 C ATOM 1123 C VAL A 96 -7.936 -6.785 -2.346 1.00 0.00 C ATOM 1124 O VAL A 96 -7.885 -7.493 -1.340 1.00 0.00 O ATOM 1125 CB VAL A 96 -10.019 -7.050 -3.850 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.896 -8.289 -3.918 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.649 -6.012 -2.909 1.00 0.00 C ATOM 0 H VAL A 96 -8.143 -9.243 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.059 -6.835 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.999 -6.583 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.935 -7.992 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.581 -8.912 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.801 -8.853 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.706 -5.897 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.547 -6.347 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.142 -5.055 -3.032 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.547 -5.515 -2.358 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.071 -4.755 -1.194 1.00 0.00 C ATOM 1139 C ILE A 97 -7.884 -3.476 -1.060 1.00 0.00 C ATOM 1140 O ILE A 97 -8.339 -2.893 -2.040 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.565 -4.395 -1.265 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.126 -4.060 -2.701 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.690 -5.493 -0.646 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.701 -3.510 -2.815 1.00 0.00 C ATOM 0 H ILE A 97 -7.553 -4.958 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.202 -5.399 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.422 -3.494 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.205 -4.960 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.819 -3.330 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.641 -5.204 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.962 -5.628 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.845 -6.428 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.474 -3.301 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.618 -2.591 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.995 -4.246 -2.431 1.00 0.00 H new ATOM 1156 N THR A 98 -8.015 -3.035 0.178 1.00 0.00 N ATOM 1157 CA THR A 98 -8.665 -1.811 0.633 1.00 0.00 C ATOM 1158 C THR A 98 -7.635 -1.036 1.439 1.00 0.00 C ATOM 1159 O THR A 98 -6.896 -1.609 2.241 1.00 0.00 O ATOM 1160 CB THR A 98 -9.877 -2.143 1.507 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.773 -2.970 0.781 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.675 -0.913 1.910 1.00 0.00 C ATOM 0 H THR A 98 -7.638 -3.568 0.962 1.00 0.00 H new ATOM 0 HA THR A 98 -9.021 -1.225 -0.214 1.00 0.00 H new ATOM 0 HB THR A 98 -9.479 -2.627 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.540 -3.197 1.347 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.521 -1.214 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.036 -0.234 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.041 -0.408 1.016 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.549 0.268 1.189 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.446 1.086 1.697 1.00 0.00 C ATOM 1172 C VAL A 99 -6.939 2.401 2.271 1.00 0.00 C ATOM 1173 O VAL A 99 -7.912 2.976 1.769 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.350 1.306 0.647 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -4.959 0.006 -0.043 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.814 2.251 -0.430 1.00 0.00 C ATOM 0 H VAL A 99 -8.232 0.785 0.635 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.992 0.523 2.512 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.497 1.718 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.180 0.205 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.586 -0.701 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.831 -0.417 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.017 2.389 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.692 1.836 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.069 3.213 0.015 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.271 2.853 3.328 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.724 4.015 4.113 1.00 0.00 C ATOM 1188 C GLU A 100 -5.647 4.563 5.066 1.00 0.00 C ATOM 1189 O GLU A 100 -4.795 3.811 5.551 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.984 3.616 4.922 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.763 2.473 5.939 1.00 0.00 C ATOM 1192 CD GLU A 100 -9.063 1.702 6.247 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -9.987 2.282 6.867 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -9.164 0.499 5.900 1.00 0.00 O ATOM 0 H GLU A 100 -5.406 2.434 3.669 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.949 4.815 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.349 4.493 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.767 3.318 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.017 1.781 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.361 2.886 6.864 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.688 5.876 5.353 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.743 6.535 6.278 1.00 0.00 C ATOM 1203 C ARG A 101 -4.859 5.960 7.699 1.00 0.00 C ATOM 1204 O ARG A 101 -5.966 5.802 8.215 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.814 8.075 6.147 1.00 0.00 C ATOM 1206 CG ARG A 101 -5.583 8.889 7.197 1.00 0.00 C ATOM 1207 CD ARG A 101 -5.837 10.345 6.749 1.00 0.00 C ATOM 1208 NE ARG A 101 -4.626 11.075 6.317 1.00 0.00 N ATOM 1209 CZ ARG A 101 -4.556 12.099 5.482 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -5.579 12.540 4.805 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -3.422 12.710 5.318 1.00 0.00 N ATOM 0 H ARG A 101 -6.377 6.512 4.951 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.718 6.299 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.790 8.449 6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.252 8.300 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.537 8.403 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.022 8.893 8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.554 10.339 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.299 10.889 7.572 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.741 10.751 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.489 12.091 4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.469 13.334 4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.597 12.399 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.357 13.501 4.677 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.719 5.636 8.309 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.645 4.822 9.539 1.00 0.00 C ATOM 1227 C ASP A 102 -2.811 5.419 10.699 1.00 0.00 C ATOM 1228 O ASP A 102 -2.912 4.935 11.827 1.00 0.00 O ATOM 1229 CB ASP A 102 -3.129 3.432 9.129 1.00 0.00 C ATOM 1230 CG ASP A 102 -3.343 2.387 10.230 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -4.510 2.039 10.524 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -2.326 1.912 10.786 1.00 0.00 O ATOM 0 H ASP A 102 -2.805 5.931 7.965 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.647 4.782 9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.639 3.110 8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -2.067 3.496 8.892 1.00 0.00 H new