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= 0.578 K(o=1.1,f=0.025) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.547 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.06) USER MOD Single : A 29 TYR OH : rot 50:sc= -0.0221 USER MOD Single : A 32 THR OG1 : rot 152:sc= 0.351 USER MOD Single : A 33 MET CE :methyl -164:sc= -0.712 (180deg=-1.35) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.24) USER MOD Single : A 35 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.0037) USER MOD Single : A 40 CYS SG : rot -137:sc= 1.21 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 0.731 (180deg=0.522) USER MOD Single : A 52 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -30:sc= 0.651 USER MOD Single : A 57 THR OG1 : rot -3:sc= 0.117 USER MOD Single : A 59 SER OG : rot -173:sc= -0.355 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -130:sc= -0.558 USER MOD Single : A 76 SER OG : rot 93:sc= 0.283 USER MOD Single : A 88 ASN : amide:sc= 0.468 K(o=0.47,f=-6.9!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 6.046 15.462 5.517 1.00 0.00 N ATOM 26 CA LYS A 27 4.972 14.588 5.981 1.00 0.00 C ATOM 27 C LYS A 27 5.627 13.268 6.359 1.00 0.00 C ATOM 28 O LYS A 27 6.780 12.997 6.017 1.00 0.00 O ATOM 29 CB LYS A 27 3.916 14.320 4.884 1.00 0.00 C ATOM 30 CG LYS A 27 2.497 14.748 5.273 1.00 0.00 C ATOM 31 CD LYS A 27 1.923 13.928 6.452 1.00 0.00 C ATOM 32 CE LYS A 27 0.394 13.875 6.489 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.235 15.221 6.576 1.00 0.00 N ATOM 0 HA LYS A 27 4.455 15.062 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.208 14.847 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.913 13.256 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.502 15.805 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.841 14.641 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.310 12.911 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.284 14.355 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.032 13.369 5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.078 13.277 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.270 15.123 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.044 15.678 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.081 15.804 5.775 1.00 0.00 H new ATOM 47 N ARG A 28 4.891 12.448 7.083 1.00 0.00 N ATOM 48 CA ARG A 28 5.127 11.022 7.217 1.00 0.00 C ATOM 49 C ARG A 28 3.797 10.420 7.640 1.00 0.00 C ATOM 50 O ARG A 28 3.044 11.018 8.412 1.00 0.00 O ATOM 51 CB ARG A 28 6.308 10.652 8.113 1.00 0.00 C ATOM 52 CG ARG A 28 6.125 10.936 9.616 1.00 0.00 C ATOM 53 CD ARG A 28 6.770 9.804 10.414 1.00 0.00 C ATOM 54 NE ARG A 28 6.139 8.482 10.157 1.00 0.00 N ATOM 55 CZ ARG A 28 4.892 8.118 10.405 1.00 0.00 C ATOM 56 NH1 ARG A 28 4.042 8.850 11.063 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.412 6.994 9.978 1.00 0.00 N ATOM 0 H ARG A 28 4.081 12.768 7.615 1.00 0.00 H new ATOM 0 HA ARG A 28 5.453 10.599 6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.517 9.590 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.187 11.194 7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.582 11.890 9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.065 11.013 9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.830 9.749 10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.703 10.032 11.478 1.00 0.00 H new ATOM 0 HE ARG A 28 6.740 7.771 9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.324 9.762 11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.093 8.512 11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.000 6.362 9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.446 6.740 10.185 1.00 0.00 H new ATOM 71 N TYR A 29 3.482 9.285 7.054 1.00 0.00 N ATOM 72 CA TYR A 29 2.202 8.623 7.227 1.00 0.00 C ATOM 73 C TYR A 29 2.434 7.119 7.156 1.00 0.00 C ATOM 74 O TYR A 29 3.472 6.650 6.681 1.00 0.00 O ATOM 75 CB TYR A 29 1.235 9.088 6.113 1.00 0.00 C ATOM 76 CG TYR A 29 1.616 8.632 4.721 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.346 7.299 4.345 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.211 9.519 3.801 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.695 6.820 3.078 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.476 9.064 2.501 1.00 0.00 C ATOM 81 CZ TYR A 29 2.224 7.718 2.140 1.00 0.00 C ATOM 82 OH TYR A 29 2.391 7.282 0.867 1.00 0.00 O ATOM 0 H TYR A 29 4.118 8.786 6.432 1.00 0.00 H new ATOM 0 HA TYR A 29 1.757 8.874 8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.235 8.720 6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.185 10.177 6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.862 6.637 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.458 10.529 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.560 5.778 2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.877 9.748 1.767 1.00 0.00 H new ATOM 0 HH TYR A 29 1.563 6.862 0.554 1.00 0.00 H new ATOM 92 N ARG A 30 1.417 6.359 7.524 1.00 0.00 N ATOM 93 CA ARG A 30 1.329 4.925 7.287 1.00 0.00 C ATOM 94 C ARG A 30 -0.058 4.667 6.719 1.00 0.00 C ATOM 95 O ARG A 30 -1.044 5.198 7.226 1.00 0.00 O ATOM 96 CB ARG A 30 1.596 4.217 8.620 1.00 0.00 C ATOM 97 CG ARG A 30 1.521 2.678 8.664 1.00 0.00 C ATOM 98 CD ARG A 30 2.628 1.931 7.906 1.00 0.00 C ATOM 99 NE ARG A 30 3.973 2.455 8.205 1.00 0.00 N ATOM 100 CZ ARG A 30 5.130 1.828 8.126 1.00 0.00 C ATOM 101 NH1 ARG A 30 5.274 0.614 7.685 1.00 0.00 N ATOM 102 NH2 ARG A 30 6.205 2.449 8.481 1.00 0.00 N ATOM 0 H ARG A 30 0.603 6.733 8.012 1.00 0.00 H new ATOM 0 HA ARG A 30 2.061 4.543 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.590 4.510 8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.885 4.604 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.545 2.362 9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.558 2.369 8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.589 0.873 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.443 2.005 6.834 1.00 0.00 H new ATOM 0 HE ARG A 30 4.014 3.427 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.460 0.085 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.201 0.190 7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.151 3.411 8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.108 1.978 8.426 1.00 0.00 H new ATOM 116 N ILE A 31 -0.130 3.902 5.637 1.00 0.00 N ATOM 117 CA ILE A 31 -1.370 3.334 5.116 1.00 0.00 C ATOM 118 C ILE A 31 -1.346 1.842 5.363 1.00 0.00 C ATOM 119 O ILE A 31 -0.283 1.272 5.561 1.00 0.00 O ATOM 120 CB ILE A 31 -1.614 3.609 3.612 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.542 2.990 2.705 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.778 5.097 3.348 1.00 0.00 C ATOM 123 CD1 ILE A 31 -0.829 3.087 1.207 1.00 0.00 C ATOM 0 H ILE A 31 0.690 3.653 5.084 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.192 3.822 5.640 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.549 3.112 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.411 3.478 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.426 1.939 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.948 5.261 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.629 5.475 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.874 5.623 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.015 2.622 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.763 2.573 0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.913 4.135 0.920 1.00 0.00 H new ATOM 135 N THR A 32 -2.511 1.231 5.257 1.00 0.00 N ATOM 136 CA THR A 32 -2.773 -0.198 5.403 1.00 0.00 C ATOM 137 C THR A 32 -3.515 -0.678 4.185 1.00 0.00 C ATOM 138 O THR A 32 -4.424 0.006 3.714 1.00 0.00 O ATOM 139 CB THR A 32 -3.659 -0.403 6.622 1.00 0.00 C ATOM 140 OG1 THR A 32 -2.821 -0.305 7.747 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.405 -1.721 6.741 1.00 0.00 C ATOM 0 H THR A 32 -3.363 1.753 5.052 1.00 0.00 H new ATOM 0 HA THR A 32 -1.837 -0.746 5.516 1.00 0.00 H new ATOM 0 HB THR A 32 -4.441 0.351 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.341 0.011 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.994 -1.724 7.658 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.067 -1.843 5.884 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.690 -2.543 6.767 1.00 0.00 H new ATOM 149 N MET A 33 -3.142 -1.867 3.723 1.00 0.00 N ATOM 150 CA MET A 33 -3.699 -2.482 2.527 1.00 0.00 C ATOM 151 C MET A 33 -4.082 -3.949 2.745 1.00 0.00 C ATOM 152 O MET A 33 -3.234 -4.784 3.045 1.00 0.00 O ATOM 153 CB MET A 33 -2.719 -2.368 1.348 1.00 0.00 C ATOM 154 CG MET A 33 -2.110 -0.968 1.169 1.00 0.00 C ATOM 155 SD MET A 33 -1.460 -0.509 -0.451 1.00 0.00 S ATOM 156 CE MET A 33 -0.660 -2.070 -0.843 1.00 0.00 C ATOM 0 H MET A 33 -2.431 -2.439 4.179 1.00 0.00 H new ATOM 0 HA MET A 33 -4.612 -1.935 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.913 -3.088 1.489 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.238 -2.647 0.431 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.873 -0.238 1.438 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.301 -0.864 1.892 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.040 -1.924 -1.666 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.120 -2.432 0.032 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.413 -2.802 -1.133 1.00 0.00 H new ATOM 166 N LYS A 34 -5.363 -4.280 2.617 1.00 0.00 N ATOM 167 CA LYS A 34 -5.910 -5.591 3.013 1.00 0.00 C ATOM 168 C LYS A 34 -7.192 -5.927 2.349 1.00 0.00 C ATOM 169 O LYS A 34 -7.855 -5.021 1.875 1.00 0.00 O ATOM 170 CB LYS A 34 -6.388 -5.600 4.491 1.00 0.00 C ATOM 171 CG LYS A 34 -6.522 -4.292 5.278 1.00 0.00 C ATOM 172 CD LYS A 34 -7.769 -3.531 4.777 1.00 0.00 C ATOM 173 CE LYS A 34 -7.959 -2.129 5.363 1.00 0.00 C ATOM 174 NZ LYS A 34 -8.222 -2.139 6.822 1.00 0.00 N ATOM 0 H LYS A 34 -6.064 -3.646 2.233 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.088 -6.265 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.363 -6.087 4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.702 -6.239 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.611 -4.501 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.629 -3.680 5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.712 -3.449 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.653 -4.126 5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.067 -1.535 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.788 -1.638 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.359 -1.164 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.079 -2.695 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.413 -2.565 7.318 1.00 0.00 H new ATOM 188 N ASN A 35 -7.585 -7.185 2.507 1.00 0.00 N ATOM 189 CA ASN A 35 -8.977 -7.551 2.388 1.00 0.00 C ATOM 190 C ASN A 35 -9.295 -8.934 2.997 1.00 0.00 C ATOM 191 O ASN A 35 -8.414 -9.569 3.580 1.00 0.00 O ATOM 192 CB ASN A 35 -9.471 -7.156 0.987 1.00 0.00 C ATOM 193 CG ASN A 35 -10.630 -7.929 0.395 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.786 -7.716 0.730 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.353 -8.844 -0.495 1.00 0.00 N ATOM 0 H ASN A 35 -6.957 -7.961 2.717 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.632 -6.973 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.753 -6.104 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.629 -7.240 0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.105 -9.389 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.385 -9.014 -0.768 1.00 0.00 H new ATOM 257 N CYS A 40 -1.322 -10.041 1.471 1.00 0.00 N ATOM 258 CA CYS A 40 -0.142 -10.225 0.626 1.00 0.00 C ATOM 259 C CYS A 40 1.186 -10.246 1.429 1.00 0.00 C ATOM 260 O CYS A 40 1.195 -10.601 2.615 1.00 0.00 O ATOM 261 CB CYS A 40 -0.226 -9.198 -0.508 1.00 0.00 C ATOM 262 SG CYS A 40 -1.828 -9.312 -1.361 1.00 0.00 S ATOM 0 HA CYS A 40 -0.135 -11.218 0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.093 -8.194 -0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.583 -9.367 -1.219 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.642 -9.241 -2.646 1.00 0.00 H new ATOM 268 N SER A 41 2.309 -9.908 0.790 1.00 0.00 N ATOM 269 CA SER A 41 3.666 -9.856 1.375 1.00 0.00 C ATOM 270 C SER A 41 4.406 -8.644 0.802 1.00 0.00 C ATOM 271 O SER A 41 4.064 -8.225 -0.299 1.00 0.00 O ATOM 272 CB SER A 41 4.448 -11.131 1.018 1.00 0.00 C ATOM 273 OG SER A 41 3.776 -12.304 1.442 1.00 0.00 O ATOM 0 H SER A 41 2.305 -9.650 -0.197 1.00 0.00 H new ATOM 0 HA SER A 41 3.586 -9.777 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.602 -11.171 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.435 -11.092 1.480 1.00 0.00 H new ATOM 0 HG SER A 41 4.305 -13.091 1.195 1.00 0.00 H new ATOM 279 N TRP A 42 5.413 -8.068 1.492 1.00 0.00 N ATOM 280 CA TRP A 42 6.004 -6.797 1.019 1.00 0.00 C ATOM 281 C TRP A 42 6.523 -6.890 -0.401 1.00 0.00 C ATOM 282 O TRP A 42 6.221 -6.035 -1.221 1.00 0.00 O ATOM 283 CB TRP A 42 7.110 -6.226 1.915 1.00 0.00 C ATOM 284 CG TRP A 42 7.651 -4.884 1.461 1.00 0.00 C ATOM 285 CD1 TRP A 42 8.944 -4.500 1.566 1.00 0.00 C ATOM 286 CD2 TRP A 42 6.980 -3.780 0.755 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.129 -3.277 0.947 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.963 -2.811 0.378 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.650 -3.500 0.359 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.661 -1.692 -0.415 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.335 -2.389 -0.429 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.336 -1.501 -0.843 1.00 0.00 C ATOM 0 H TRP A 42 5.822 -8.445 2.347 1.00 0.00 H new ATOM 0 HA TRP A 42 5.164 -6.104 1.061 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.724 -6.124 2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.932 -6.940 1.957 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.719 -5.066 2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.019 -2.781 0.915 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.857 -4.162 0.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.434 -0.990 -0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.310 -2.214 -0.721 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.090 -0.672 -1.490 1.00 0.00 H new ATOM 303 N GLN A 43 7.209 -7.979 -0.740 1.00 0.00 N ATOM 304 CA GLN A 43 7.679 -8.230 -2.100 1.00 0.00 C ATOM 305 C GLN A 43 6.581 -8.082 -3.172 1.00 0.00 C ATOM 306 O GLN A 43 6.757 -7.371 -4.166 1.00 0.00 O ATOM 307 CB GLN A 43 8.379 -9.606 -2.151 1.00 0.00 C ATOM 308 CG GLN A 43 7.601 -10.753 -1.468 1.00 0.00 C ATOM 309 CD GLN A 43 8.208 -12.123 -1.761 1.00 0.00 C ATOM 310 OE1 GLN A 43 9.284 -12.475 -1.299 1.00 0.00 O ATOM 311 NE2 GLN A 43 7.543 -12.953 -2.543 1.00 0.00 N ATOM 0 H GLN A 43 7.455 -8.714 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 43 8.402 -7.454 -2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.551 -9.872 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.358 -9.518 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.587 -10.588 -0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.565 -10.738 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.644 -12.674 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.928 -13.874 -2.754 1.00 0.00 H new ATOM 320 N ASP A 44 5.419 -8.676 -2.893 1.00 0.00 N ATOM 321 CA ASP A 44 4.253 -8.739 -3.780 1.00 0.00 C ATOM 322 C ASP A 44 3.594 -7.386 -3.903 1.00 0.00 C ATOM 323 O ASP A 44 3.158 -6.968 -4.974 1.00 0.00 O ATOM 324 CB ASP A 44 3.207 -9.665 -3.139 1.00 0.00 C ATOM 325 CG ASP A 44 2.541 -10.621 -4.136 1.00 0.00 C ATOM 326 OD1 ASP A 44 2.414 -10.259 -5.328 1.00 0.00 O ATOM 327 OD2 ASP A 44 2.123 -11.726 -3.714 1.00 0.00 O ATOM 0 H ASP A 44 5.257 -9.148 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 44 4.587 -9.089 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.684 -10.249 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.438 -9.056 -2.663 1.00 0.00 H new ATOM 332 N LEU A 45 3.493 -6.735 -2.745 1.00 0.00 N ATOM 333 CA LEU A 45 2.799 -5.494 -2.602 1.00 0.00 C ATOM 334 C LEU A 45 3.595 -4.364 -3.232 1.00 0.00 C ATOM 335 O LEU A 45 3.013 -3.536 -3.911 1.00 0.00 O ATOM 336 CB LEU A 45 2.647 -5.199 -1.114 1.00 0.00 C ATOM 337 CG LEU A 45 1.497 -5.899 -0.398 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.460 -5.271 0.979 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.117 -5.674 -1.017 1.00 0.00 C ATOM 0 H LEU A 45 3.904 -7.076 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 45 1.829 -5.568 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.577 -5.472 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.522 -4.123 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 45 1.679 -6.973 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.656 -5.720 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.412 -5.441 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.285 -4.199 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.634 -6.212 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.115 -4.609 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.114 -6.041 -2.043 1.00 0.00 H new ATOM 351 N LYS A 46 4.916 -4.365 -3.027 1.00 0.00 N ATOM 352 CA LYS A 46 5.890 -3.472 -3.649 1.00 0.00 C ATOM 353 C LYS A 46 5.751 -3.601 -5.141 1.00 0.00 C ATOM 354 O LYS A 46 5.567 -2.605 -5.827 1.00 0.00 O ATOM 355 CB LYS A 46 7.296 -3.879 -3.178 1.00 0.00 C ATOM 356 CG LYS A 46 8.451 -2.996 -3.649 1.00 0.00 C ATOM 357 CD LYS A 46 9.082 -3.397 -4.993 1.00 0.00 C ATOM 358 CE LYS A 46 9.902 -4.701 -4.953 1.00 0.00 C ATOM 359 NZ LYS A 46 9.124 -5.916 -5.327 1.00 0.00 N ATOM 0 H LYS A 46 5.355 -5.027 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 46 5.722 -2.432 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.300 -3.895 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.487 -4.899 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.093 -1.969 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.228 -3.005 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.290 -3.504 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.728 -2.587 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.753 -4.604 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.305 -4.834 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.779 -6.690 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.519 -6.200 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.530 -5.707 -6.155 1.00 0.00 H new ATOM 373 N ASP A 47 5.764 -4.841 -5.623 1.00 0.00 N ATOM 374 CA ASP A 47 5.495 -5.148 -7.016 1.00 0.00 C ATOM 375 C ASP A 47 4.203 -4.503 -7.483 1.00 0.00 C ATOM 376 O ASP A 47 4.285 -3.506 -8.185 1.00 0.00 O ATOM 377 CB ASP A 47 5.520 -6.675 -7.187 1.00 0.00 C ATOM 378 CG ASP A 47 6.826 -7.206 -7.799 1.00 0.00 C ATOM 379 OD1 ASP A 47 7.878 -6.529 -7.691 1.00 0.00 O ATOM 380 OD2 ASP A 47 6.813 -8.325 -8.368 1.00 0.00 O ATOM 0 H ASP A 47 5.963 -5.662 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 47 6.267 -4.724 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.368 -7.143 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.684 -6.975 -7.819 1.00 0.00 H new ATOM 385 N LEU A 48 3.040 -4.962 -7.027 1.00 0.00 N ATOM 386 CA LEU A 48 1.755 -4.424 -7.460 1.00 0.00 C ATOM 387 C LEU A 48 1.673 -2.920 -7.368 1.00 0.00 C ATOM 388 O LEU A 48 1.220 -2.264 -8.292 1.00 0.00 O ATOM 389 CB LEU A 48 0.624 -4.984 -6.624 1.00 0.00 C ATOM 390 CG LEU A 48 -0.759 -4.586 -7.160 1.00 0.00 C ATOM 391 CD1 LEU A 48 -1.438 -3.286 -6.765 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.046 -5.084 -8.570 1.00 0.00 C ATOM 0 H LEU A 48 2.963 -5.718 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 48 1.664 -4.720 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.700 -6.071 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.727 -4.632 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.345 -5.182 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.405 -3.215 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.584 -3.265 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.813 -2.444 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.042 -4.761 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.306 -4.675 -9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.996 -6.173 -8.589 1.00 0.00 H new ATOM 404 N ALA A 49 2.091 -2.357 -6.251 1.00 0.00 N ATOM 405 CA ALA A 49 2.017 -0.941 -6.027 1.00 0.00 C ATOM 406 C ALA A 49 2.808 -0.181 -7.101 1.00 0.00 C ATOM 407 O ALA A 49 2.298 0.752 -7.728 1.00 0.00 O ATOM 408 CB ALA A 49 2.569 -0.734 -4.627 1.00 0.00 C ATOM 0 H ALA A 49 2.493 -2.880 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 49 1.001 -0.553 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.546 0.327 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.961 -1.286 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.597 -1.094 -4.584 1.00 0.00 H new ATOM 414 N ARG A 50 4.017 -0.648 -7.418 1.00 0.00 N ATOM 415 CA ARG A 50 4.820 -0.172 -8.556 1.00 0.00 C ATOM 416 C ARG A 50 4.268 -0.598 -9.917 1.00 0.00 C ATOM 417 O ARG A 50 4.590 0.048 -10.913 1.00 0.00 O ATOM 418 CB ARG A 50 6.285 -0.557 -8.298 1.00 0.00 C ATOM 419 CG ARG A 50 6.839 0.340 -7.170 1.00 0.00 C ATOM 420 CD ARG A 50 7.479 -0.372 -5.976 1.00 0.00 C ATOM 421 NE ARG A 50 8.299 0.522 -5.129 1.00 0.00 N ATOM 422 CZ ARG A 50 9.338 1.266 -5.460 1.00 0.00 C ATOM 423 NH1 ARG A 50 9.980 1.155 -6.577 1.00 0.00 N ATOM 424 NH2 ARG A 50 9.725 2.216 -4.664 1.00 0.00 N ATOM 0 H ARG A 50 4.479 -1.383 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 50 4.760 0.914 -8.621 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.356 -1.607 -8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.875 -0.431 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.580 1.012 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.024 0.961 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.694 -0.819 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.103 -1.188 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 50 8.022 0.570 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.690 0.460 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.776 1.763 -6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.227 2.383 -3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.527 2.795 -4.913 1.00 0.00 H new ATOM 438 N GLU A 51 3.378 -1.594 -9.987 1.00 0.00 N ATOM 439 CA GLU A 51 2.574 -1.867 -11.190 1.00 0.00 C ATOM 440 C GLU A 51 1.436 -0.834 -11.350 1.00 0.00 C ATOM 441 O GLU A 51 0.909 -0.630 -12.446 1.00 0.00 O ATOM 442 CB GLU A 51 1.929 -3.262 -11.110 1.00 0.00 C ATOM 443 CG GLU A 51 2.950 -4.417 -11.055 1.00 0.00 C ATOM 444 CD GLU A 51 2.320 -5.805 -10.866 1.00 0.00 C ATOM 445 OE1 GLU A 51 1.371 -6.167 -11.597 1.00 0.00 O ATOM 446 OE2 GLU A 51 2.777 -6.555 -9.972 1.00 0.00 O ATOM 0 H GLU A 51 3.193 -2.234 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 51 3.252 -1.809 -12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.294 -3.308 -10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.281 -3.403 -11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.532 -4.417 -11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.647 -4.232 -10.238 1.00 0.00 H new ATOM 453 N ASN A 52 1.071 -0.180 -10.248 1.00 0.00 N ATOM 454 CA ASN A 52 -0.123 0.646 -10.062 1.00 0.00 C ATOM 455 C ASN A 52 0.126 2.161 -9.875 1.00 0.00 C ATOM 456 O ASN A 52 -0.837 2.924 -9.956 1.00 0.00 O ATOM 457 CB ASN A 52 -0.871 -0.004 -8.881 1.00 0.00 C ATOM 458 CG ASN A 52 -1.949 -0.953 -9.334 1.00 0.00 C ATOM 459 OD1 ASN A 52 -3.129 -0.642 -9.378 1.00 0.00 O ATOM 460 ND2 ASN A 52 -1.564 -2.153 -9.665 1.00 0.00 N ATOM 0 H ASN A 52 1.641 -0.215 -9.403 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.715 0.654 -10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.158 -0.541 -8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.315 0.776 -8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.251 -2.844 -9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.575 -2.401 -9.624 1.00 0.00 H new ATOM 467 N SER A 53 1.383 2.583 -9.650 1.00 0.00 N ATOM 468 CA SER A 53 1.973 3.951 -9.654 1.00 0.00 C ATOM 469 C SER A 53 2.413 4.461 -8.266 1.00 0.00 C ATOM 470 O SER A 53 2.868 5.598 -8.135 1.00 0.00 O ATOM 471 CB SER A 53 1.115 5.031 -10.339 1.00 0.00 C ATOM 472 OG SER A 53 0.811 4.697 -11.682 1.00 0.00 O ATOM 0 H SER A 53 2.104 1.895 -9.434 1.00 0.00 H new ATOM 0 HA SER A 53 2.864 3.800 -10.264 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.189 5.166 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.644 5.984 -10.314 1.00 0.00 H new ATOM 0 HG SER A 53 0.264 5.406 -12.080 1.00 0.00 H new ATOM 478 N LEU A 54 2.284 3.636 -7.228 1.00 0.00 N ATOM 479 CA LEU A 54 2.492 3.986 -5.811 1.00 0.00 C ATOM 480 C LEU A 54 3.906 4.455 -5.454 1.00 0.00 C ATOM 481 O LEU A 54 4.045 5.369 -4.656 1.00 0.00 O ATOM 482 CB LEU A 54 2.180 2.728 -4.965 1.00 0.00 C ATOM 483 CG LEU A 54 0.940 2.668 -4.072 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.248 3.010 -2.609 1.00 0.00 C ATOM 485 CD2 LEU A 54 -0.212 3.506 -4.598 1.00 0.00 C ATOM 0 H LEU A 54 2.020 2.659 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 54 1.834 4.830 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.118 1.886 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.044 2.552 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 54 0.617 1.628 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.332 2.952 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.977 2.302 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.654 4.020 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.062 3.422 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.097 4.549 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.499 3.149 -5.587 1.00 0.00 H new ATOM 497 N GLU A 55 4.950 3.848 -6.032 1.00 0.00 N ATOM 498 CA GLU A 55 6.349 3.970 -5.637 1.00 0.00 C ATOM 499 C GLU A 55 6.628 3.705 -4.150 1.00 0.00 C ATOM 500 O GLU A 55 7.037 2.611 -3.762 1.00 0.00 O ATOM 501 CB GLU A 55 6.874 5.292 -6.207 1.00 0.00 C ATOM 502 CG GLU A 55 8.388 5.419 -6.142 1.00 0.00 C ATOM 503 CD GLU A 55 9.180 4.438 -7.036 1.00 0.00 C ATOM 504 OE1 GLU A 55 8.673 4.007 -8.093 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.327 4.084 -6.662 1.00 0.00 O ATOM 0 H GLU A 55 4.829 3.226 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 55 6.931 3.158 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.553 5.385 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.424 6.120 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.661 6.437 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.703 5.275 -5.108 1.00 0.00 H new ATOM 512 N THR A 56 6.334 4.687 -3.324 1.00 0.00 N ATOM 513 CA THR A 56 6.575 4.774 -1.867 1.00 0.00 C ATOM 514 C THR A 56 8.029 4.471 -1.429 1.00 0.00 C ATOM 515 O THR A 56 8.922 4.272 -2.262 1.00 0.00 O ATOM 516 CB THR A 56 5.621 3.870 -1.061 1.00 0.00 C ATOM 517 OG1 THR A 56 6.006 2.521 -1.204 1.00 0.00 O ATOM 518 CG2 THR A 56 4.147 3.969 -1.409 1.00 0.00 C ATOM 0 H THR A 56 5.878 5.531 -3.670 1.00 0.00 H new ATOM 0 HA THR A 56 6.379 5.823 -1.643 1.00 0.00 H new ATOM 0 HB THR A 56 5.716 4.235 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.431 2.393 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.577 3.288 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.802 4.990 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.001 3.701 -2.455 1.00 0.00 H new ATOM 526 N THR A 57 8.281 4.424 -0.113 1.00 0.00 N ATOM 527 CA THR A 57 9.575 4.040 0.463 1.00 0.00 C ATOM 528 C THR A 57 9.570 2.574 0.880 1.00 0.00 C ATOM 529 O THR A 57 10.459 1.817 0.484 1.00 0.00 O ATOM 530 CB THR A 57 9.876 4.838 1.748 1.00 0.00 C ATOM 531 OG1 THR A 57 9.603 6.211 1.586 1.00 0.00 O ATOM 532 CG2 THR A 57 11.328 4.732 2.199 1.00 0.00 C ATOM 0 H THR A 57 7.580 4.656 0.591 1.00 0.00 H new ATOM 0 HA THR A 57 10.320 4.237 -0.308 1.00 0.00 H new ATOM 0 HB THR A 57 9.226 4.391 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.319 6.382 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.470 5.317 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.572 3.688 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.981 5.115 1.415 1.00 0.00 H new ATOM 540 N PHE A 58 8.588 2.179 1.697 1.00 0.00 N ATOM 541 CA PHE A 58 8.609 0.898 2.398 1.00 0.00 C ATOM 542 C PHE A 58 7.255 0.466 2.972 1.00 0.00 C ATOM 543 O PHE A 58 6.318 1.261 3.020 1.00 0.00 O ATOM 544 CB PHE A 58 9.668 0.993 3.516 1.00 0.00 C ATOM 545 CG PHE A 58 9.287 1.431 4.924 1.00 0.00 C ATOM 546 CD1 PHE A 58 9.127 2.794 5.239 1.00 0.00 C ATOM 547 CD2 PHE A 58 9.279 0.477 5.958 1.00 0.00 C ATOM 548 CE1 PHE A 58 9.054 3.203 6.582 1.00 0.00 C ATOM 549 CE2 PHE A 58 9.182 0.883 7.304 1.00 0.00 C ATOM 550 CZ PHE A 58 9.115 2.251 7.614 1.00 0.00 C ATOM 0 H PHE A 58 7.758 2.740 1.889 1.00 0.00 H new ATOM 0 HA PHE A 58 8.858 0.126 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.130 0.010 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.440 1.679 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.060 3.526 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.348 -0.574 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.951 4.251 6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.159 0.146 8.093 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.110 2.571 8.645 1.00 0.00 H new ATOM 560 N SER A 59 7.176 -0.776 3.459 1.00 0.00 N ATOM 561 CA SER A 59 6.020 -1.326 4.179 1.00 0.00 C ATOM 562 C SER A 59 6.435 -2.300 5.296 1.00 0.00 C ATOM 563 O SER A 59 7.584 -2.745 5.365 1.00 0.00 O ATOM 564 CB SER A 59 5.109 -2.074 3.197 1.00 0.00 C ATOM 565 OG SER A 59 3.941 -2.598 3.796 1.00 0.00 O ATOM 0 H SER A 59 7.937 -1.448 3.361 1.00 0.00 H new ATOM 0 HA SER A 59 5.498 -0.485 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.822 -1.397 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.671 -2.890 2.742 1.00 0.00 H new ATOM 0 HG SER A 59 3.461 -3.153 3.146 1.00 0.00 H new ATOM 571 N SER A 60 5.466 -2.659 6.129 1.00 0.00 N ATOM 572 CA SER A 60 5.500 -3.753 7.102 1.00 0.00 C ATOM 573 C SER A 60 4.355 -4.712 6.769 1.00 0.00 C ATOM 574 O SER A 60 3.198 -4.289 6.690 1.00 0.00 O ATOM 575 CB SER A 60 5.295 -3.212 8.509 1.00 0.00 C ATOM 576 OG SER A 60 5.705 -4.184 9.457 1.00 0.00 O ATOM 0 H SER A 60 4.575 -2.163 6.147 1.00 0.00 H new ATOM 0 HA SER A 60 6.464 -4.259 7.056 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.867 -2.294 8.644 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.246 -2.959 8.663 1.00 0.00 H new ATOM 0 HG SER A 60 5.574 -3.833 10.363 1.00 0.00 H new ATOM 582 N VAL A 61 4.673 -5.990 6.538 1.00 0.00 N ATOM 583 CA VAL A 61 3.720 -7.008 6.060 1.00 0.00 C ATOM 584 C VAL A 61 3.991 -8.365 6.709 1.00 0.00 C ATOM 585 O VAL A 61 5.059 -8.565 7.291 1.00 0.00 O ATOM 586 CB VAL A 61 3.766 -7.129 4.510 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.468 -7.703 3.921 1.00 0.00 C ATOM 588 CG2 VAL A 61 3.990 -5.792 3.804 1.00 0.00 C ATOM 0 H VAL A 61 5.614 -6.356 6.679 1.00 0.00 H new ATOM 0 HA VAL A 61 2.720 -6.686 6.350 1.00 0.00 H new ATOM 0 HB VAL A 61 4.608 -7.799 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.557 -7.765 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.293 -8.699 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.632 -7.053 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.011 -5.949 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.180 -5.108 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.939 -5.364 4.127 1.00 0.00 H new ATOM 701 N THR A 69 -1.489 -7.228 6.904 1.00 0.00 N ATOM 702 CA THR A 69 -1.882 -6.243 5.888 1.00 0.00 C ATOM 703 C THR A 69 -0.609 -5.590 5.332 1.00 0.00 C ATOM 704 O THR A 69 0.458 -5.635 5.941 1.00 0.00 O ATOM 705 CB THR A 69 -2.804 -5.140 6.430 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.087 -4.173 7.159 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.957 -5.633 7.298 1.00 0.00 C ATOM 0 HA THR A 69 -2.442 -6.776 5.119 1.00 0.00 H new ATOM 0 HB THR A 69 -3.238 -4.706 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.524 -4.025 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.550 -4.782 7.632 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.586 -6.308 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.560 -6.161 8.165 1.00 0.00 H new ATOM 715 N GLY A 70 -0.723 -4.948 4.173 1.00 0.00 N ATOM 716 CA GLY A 70 0.284 -4.085 3.588 1.00 0.00 C ATOM 717 C GLY A 70 0.367 -2.735 4.257 1.00 0.00 C ATOM 718 O GLY A 70 -0.302 -1.811 3.802 1.00 0.00 O ATOM 0 H GLY A 70 -1.560 -5.022 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.255 -4.575 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.065 -3.946 2.529 1.00 0.00 H new ATOM 722 N ALA A 71 1.132 -2.595 5.339 1.00 0.00 N ATOM 723 CA ALA A 71 1.220 -1.320 6.029 1.00 0.00 C ATOM 724 C ALA A 71 2.366 -0.453 5.469 1.00 0.00 C ATOM 725 O ALA A 71 3.491 -0.532 5.953 1.00 0.00 O ATOM 726 CB ALA A 71 1.253 -1.570 7.547 1.00 0.00 C ATOM 0 H ALA A 71 1.692 -3.343 5.749 1.00 0.00 H new ATOM 0 HA ALA A 71 0.332 -0.717 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.319 -0.617 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.344 -2.089 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.120 -2.182 7.796 1.00 0.00 H new ATOM 732 N LEU A 72 2.110 0.299 4.395 1.00 0.00 N ATOM 733 CA LEU A 72 3.065 1.121 3.615 1.00 0.00 C ATOM 734 C LEU A 72 3.297 2.518 4.223 1.00 0.00 C ATOM 735 O LEU A 72 2.413 3.083 4.852 1.00 0.00 O ATOM 736 CB LEU A 72 2.479 1.383 2.228 1.00 0.00 C ATOM 737 CG LEU A 72 2.752 0.461 1.038 1.00 0.00 C ATOM 738 CD1 LEU A 72 4.184 0.598 0.558 1.00 0.00 C ATOM 739 CD2 LEU A 72 2.225 -0.960 1.194 1.00 0.00 C ATOM 0 H LEU A 72 1.166 0.360 4.013 1.00 0.00 H new ATOM 0 HA LEU A 72 4.001 0.563 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.397 1.426 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.807 2.380 1.933 1.00 0.00 H new ATOM 0 HG LEU A 72 2.136 0.813 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.349 -0.069 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.368 1.627 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.866 0.334 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.466 -1.537 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.688 -1.426 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.144 -0.934 1.328 1.00 0.00 H new ATOM 751 N GLU A 73 4.415 3.153 3.890 1.00 0.00 N ATOM 752 CA GLU A 73 4.784 4.522 4.342 1.00 0.00 C ATOM 753 C GLU A 73 5.507 5.365 3.254 1.00 0.00 C ATOM 754 O GLU A 73 6.283 4.833 2.450 1.00 0.00 O ATOM 755 CB GLU A 73 5.646 4.402 5.619 1.00 0.00 C ATOM 756 CG GLU A 73 6.332 5.703 6.101 1.00 0.00 C ATOM 757 CD GLU A 73 6.478 5.852 7.634 1.00 0.00 C ATOM 758 OE1 GLU A 73 5.816 5.139 8.431 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.230 6.749 8.083 1.00 0.00 O ATOM 0 H GLU A 73 5.119 2.733 3.283 1.00 0.00 H new ATOM 0 HA GLU A 73 3.862 5.064 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.015 4.028 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.417 3.652 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.324 5.757 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.764 6.553 5.724 1.00 0.00 H new ATOM 766 N PHE A 74 5.292 6.694 3.266 1.00 0.00 N ATOM 767 CA PHE A 74 6.071 7.691 2.506 1.00 0.00 C ATOM 768 C PHE A 74 6.229 9.031 3.276 1.00 0.00 C ATOM 769 O PHE A 74 5.357 9.377 4.080 1.00 0.00 O ATOM 770 CB PHE A 74 5.407 8.030 1.153 1.00 0.00 C ATOM 771 CG PHE A 74 6.399 8.536 0.118 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.474 7.730 -0.276 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.335 9.858 -0.352 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.461 8.212 -1.151 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.331 10.362 -1.207 1.00 0.00 C ATOM 776 CZ PHE A 74 8.393 9.537 -1.615 1.00 0.00 C ATOM 0 H PHE A 74 4.549 7.117 3.822 1.00 0.00 H new ATOM 0 HA PHE A 74 7.046 7.228 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.907 7.142 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.637 8.785 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.545 6.720 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.514 10.493 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.268 7.568 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.280 11.385 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.152 9.919 -2.281 1.00 0.00 H new ATOM 786 N PRO A 75 7.272 9.842 2.996 1.00 0.00 N ATOM 787 CA PRO A 75 7.414 11.223 3.479 1.00 0.00 C ATOM 788 C PRO A 75 6.458 12.309 2.919 1.00 0.00 C ATOM 789 O PRO A 75 6.669 13.490 3.205 1.00 0.00 O ATOM 790 CB PRO A 75 8.864 11.618 3.166 1.00 0.00 C ATOM 791 CG PRO A 75 9.604 10.289 3.119 1.00 0.00 C ATOM 792 CD PRO A 75 8.558 9.383 2.483 1.00 0.00 C ATOM 0 HA PRO A 75 7.140 11.202 4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.937 12.150 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.273 12.276 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.514 10.347 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.895 9.946 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.592 9.450 1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.733 8.339 2.744 1.00 0.00 H new ATOM 800 N SER A 76 5.455 11.993 2.081 1.00 0.00 N ATOM 801 CA SER A 76 4.647 13.005 1.365 1.00 0.00 C ATOM 802 C SER A 76 3.236 12.482 1.111 1.00 0.00 C ATOM 803 O SER A 76 3.054 11.548 0.325 1.00 0.00 O ATOM 804 CB SER A 76 5.292 13.346 0.022 1.00 0.00 C ATOM 805 OG SER A 76 6.709 13.427 0.069 1.00 0.00 O ATOM 0 H SER A 76 5.179 11.032 1.879 1.00 0.00 H new ATOM 0 HA SER A 76 4.599 13.898 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.005 12.591 -0.710 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.895 14.298 -0.330 1.00 0.00 H new ATOM 0 HG SER A 76 7.094 12.557 -0.165 1.00 0.00 H new ATOM 811 N GLU A 77 2.233 13.062 1.774 1.00 0.00 N ATOM 812 CA GLU A 77 0.831 12.617 1.711 1.00 0.00 C ATOM 813 C GLU A 77 0.230 12.524 0.297 1.00 0.00 C ATOM 814 O GLU A 77 -0.759 11.824 0.098 1.00 0.00 O ATOM 815 CB GLU A 77 -0.068 13.469 2.605 1.00 0.00 C ATOM 816 CG GLU A 77 -0.098 14.959 2.243 1.00 0.00 C ATOM 817 CD GLU A 77 -0.735 15.760 3.396 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.952 15.601 3.651 1.00 0.00 O ATOM 819 OE2 GLU A 77 -0.015 16.496 4.105 1.00 0.00 O ATOM 0 H GLU A 77 2.371 13.869 2.382 1.00 0.00 H new ATOM 0 HA GLU A 77 0.865 11.593 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.084 13.076 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.265 13.366 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.914 15.318 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.667 15.109 1.325 1.00 0.00 H new ATOM 826 N GLU A 78 0.843 13.173 -0.681 1.00 0.00 N ATOM 827 CA GLU A 78 0.532 12.994 -2.108 1.00 0.00 C ATOM 828 C GLU A 78 0.489 11.511 -2.498 1.00 0.00 C ATOM 829 O GLU A 78 -0.469 11.083 -3.138 1.00 0.00 O ATOM 830 CB GLU A 78 1.539 13.779 -2.961 1.00 0.00 C ATOM 831 CG GLU A 78 1.646 15.262 -2.564 1.00 0.00 C ATOM 832 CD GLU A 78 2.870 15.543 -1.679 1.00 0.00 C ATOM 833 OE1 GLU A 78 2.757 15.355 -0.442 1.00 0.00 O ATOM 834 OE2 GLU A 78 3.929 15.955 -2.211 1.00 0.00 O ATOM 0 H GLU A 78 1.585 13.853 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.465 13.391 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.521 13.314 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.248 13.711 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.704 15.873 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.741 15.560 -2.034 1.00 0.00 H new ATOM 841 N ILE A 79 1.465 10.716 -2.042 1.00 0.00 N ATOM 842 CA ILE A 79 1.581 9.274 -2.328 1.00 0.00 C ATOM 843 C ILE A 79 0.523 8.451 -1.564 1.00 0.00 C ATOM 844 O ILE A 79 -0.038 7.474 -2.078 1.00 0.00 O ATOM 845 CB ILE A 79 3.025 8.807 -2.010 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.043 9.702 -2.766 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.183 7.314 -2.332 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.278 9.030 -3.392 1.00 0.00 C ATOM 0 H ILE A 79 2.218 11.064 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 79 1.384 9.104 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 79 3.229 8.919 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.506 10.218 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.395 10.465 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.201 6.998 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.481 6.736 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.979 7.146 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.892 9.784 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.860 8.540 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.957 8.289 -4.125 1.00 0.00 H new ATOM 860 N LEU A 80 0.195 8.896 -0.346 1.00 0.00 N ATOM 861 CA LEU A 80 -0.855 8.316 0.478 1.00 0.00 C ATOM 862 C LEU A 80 -2.212 8.441 -0.227 1.00 0.00 C ATOM 863 O LEU A 80 -2.919 7.454 -0.420 1.00 0.00 O ATOM 864 CB LEU A 80 -0.820 9.008 1.862 1.00 0.00 C ATOM 865 CG LEU A 80 -2.144 9.310 2.595 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.863 8.064 3.066 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.907 10.119 3.862 1.00 0.00 C ATOM 0 H LEU A 80 0.665 9.685 0.097 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.693 7.249 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.216 8.386 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.291 9.953 1.741 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.739 9.848 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.786 8.346 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.098 7.434 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.223 7.514 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.860 10.314 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.260 9.558 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.431 11.065 3.606 1.00 0.00 H new ATOM 879 N VAL A 81 -2.550 9.659 -0.658 1.00 0.00 N ATOM 880 CA VAL A 81 -3.843 10.005 -1.270 1.00 0.00 C ATOM 881 C VAL A 81 -3.975 9.372 -2.635 1.00 0.00 C ATOM 882 O VAL A 81 -5.055 8.894 -2.987 1.00 0.00 O ATOM 883 CB VAL A 81 -4.001 11.535 -1.369 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.226 11.984 -2.178 1.00 0.00 C ATOM 885 CG2 VAL A 81 -4.143 12.137 0.024 1.00 0.00 C ATOM 0 H VAL A 81 -1.917 10.456 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.637 9.615 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.104 11.882 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.267 13.073 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.150 11.602 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.132 11.596 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.254 13.218 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.022 11.717 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.255 11.906 0.612 1.00 0.00 H new ATOM 895 N GLU A 82 -2.859 9.302 -3.355 1.00 0.00 N ATOM 896 CA GLU A 82 -2.705 8.518 -4.546 1.00 0.00 C ATOM 897 C GLU A 82 -3.233 7.104 -4.274 1.00 0.00 C ATOM 898 O GLU A 82 -4.317 6.780 -4.739 1.00 0.00 O ATOM 899 CB GLU A 82 -1.207 8.517 -4.852 1.00 0.00 C ATOM 900 CG GLU A 82 -0.716 9.428 -5.965 1.00 0.00 C ATOM 901 CD GLU A 82 -1.172 9.026 -7.379 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.135 7.824 -7.721 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.559 9.914 -8.175 1.00 0.00 O ATOM 0 H GLU A 82 -2.014 9.814 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.261 8.914 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.677 8.787 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.915 7.496 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.060 10.442 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.374 9.450 -5.943 1.00 0.00 H new ATOM 910 N ALA A 83 -2.566 6.311 -3.425 1.00 0.00 N ATOM 911 CA ALA A 83 -3.005 4.946 -3.072 1.00 0.00 C ATOM 912 C ALA A 83 -4.470 4.856 -2.619 1.00 0.00 C ATOM 913 O ALA A 83 -5.197 3.977 -3.071 1.00 0.00 O ATOM 914 CB ALA A 83 -2.092 4.435 -1.951 1.00 0.00 C ATOM 0 H ALA A 83 -1.704 6.595 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.935 4.336 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.393 3.426 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.060 4.421 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.174 5.094 -1.086 1.00 0.00 H new ATOM 920 N LEU A 84 -4.933 5.790 -1.789 1.00 0.00 N ATOM 921 CA LEU A 84 -6.314 5.808 -1.283 1.00 0.00 C ATOM 922 C LEU A 84 -7.327 6.024 -2.406 1.00 0.00 C ATOM 923 O LEU A 84 -8.482 5.616 -2.278 1.00 0.00 O ATOM 924 CB LEU A 84 -6.529 6.884 -0.193 1.00 0.00 C ATOM 925 CG LEU A 84 -5.706 6.829 1.091 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.576 7.257 2.267 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.129 5.456 1.373 1.00 0.00 C ATOM 0 H LEU A 84 -4.361 6.561 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.477 4.827 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.351 7.856 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.581 6.855 0.092 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.864 7.509 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.991 7.219 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.931 8.275 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.429 6.584 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.555 5.486 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.940 4.734 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.477 5.160 0.552 1.00 0.00 H new ATOM 939 N GLU A 85 -6.888 6.611 -3.523 1.00 0.00 N ATOM 940 CA GLU A 85 -7.684 6.762 -4.729 1.00 0.00 C ATOM 941 C GLU A 85 -7.265 5.839 -5.908 1.00 0.00 C ATOM 942 O GLU A 85 -7.941 5.818 -6.939 1.00 0.00 O ATOM 943 CB GLU A 85 -7.666 8.236 -5.175 1.00 0.00 C ATOM 944 CG GLU A 85 -8.397 9.163 -4.185 1.00 0.00 C ATOM 945 CD GLU A 85 -8.427 10.637 -4.650 1.00 0.00 C ATOM 946 OE1 GLU A 85 -8.511 10.916 -5.876 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.419 11.545 -3.782 1.00 0.00 O ATOM 0 H GLU A 85 -5.949 7.000 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.693 6.446 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.633 8.567 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.131 8.320 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.419 8.809 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.909 9.104 -3.212 1.00 0.00 H new ATOM 954 N ARG A 86 -6.182 5.055 -5.770 1.00 0.00 N ATOM 955 CA ARG A 86 -5.582 4.212 -6.817 1.00 0.00 C ATOM 956 C ARG A 86 -5.728 2.726 -6.530 1.00 0.00 C ATOM 957 O ARG A 86 -5.749 1.933 -7.472 1.00 0.00 O ATOM 958 CB ARG A 86 -4.078 4.537 -6.940 1.00 0.00 C ATOM 959 CG ARG A 86 -3.674 5.340 -8.175 1.00 0.00 C ATOM 960 CD ARG A 86 -4.265 6.754 -8.050 1.00 0.00 C ATOM 961 NE ARG A 86 -3.666 7.728 -8.971 1.00 0.00 N ATOM 962 CZ ARG A 86 -4.291 8.686 -9.626 1.00 0.00 C ATOM 963 NH1 ARG A 86 -5.567 8.646 -9.895 1.00 0.00 N ATOM 964 NH2 ARG A 86 -3.623 9.736 -9.999 1.00 0.00 N ATOM 0 H ARG A 86 -5.679 4.989 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.113 4.431 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.771 5.090 -6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.521 3.600 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.588 5.389 -8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.040 4.855 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.339 6.707 -8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.131 7.105 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.660 7.656 -9.120 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.127 7.848 -9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.005 9.413 -10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.629 9.811 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.093 10.486 -10.507 1.00 0.00 H new ATOM 978 N LEU A 87 -5.813 2.364 -5.250 1.00 0.00 N ATOM 979 CA LEU A 87 -5.742 1.017 -4.732 1.00 0.00 C ATOM 980 C LEU A 87 -6.908 0.665 -3.792 1.00 0.00 C ATOM 981 O LEU A 87 -6.931 -0.435 -3.241 1.00 0.00 O ATOM 982 CB LEU A 87 -4.363 0.838 -4.051 1.00 0.00 C ATOM 983 CG LEU A 87 -3.291 0.349 -5.031 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.660 1.433 -5.876 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.194 -0.512 -4.401 1.00 0.00 C ATOM 0 H LEU A 87 -5.941 3.054 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.842 0.314 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.049 1.787 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.455 0.126 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.876 -0.288 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.915 0.991 -6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.429 1.923 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.181 2.167 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.481 -0.812 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.678 0.062 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.640 -1.400 -3.954 1.00 0.00 H new ATOM 997 N ASN A 88 -7.899 1.540 -3.581 1.00 0.00 N ATOM 998 CA ASN A 88 -8.992 1.219 -2.665 1.00 0.00 C ATOM 999 C ASN A 88 -10.057 0.292 -3.291 1.00 0.00 C ATOM 1000 O ASN A 88 -10.878 0.713 -4.105 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.582 2.479 -2.026 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.425 2.091 -0.821 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.101 1.175 -0.081 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.546 2.728 -0.605 1.00 0.00 N ATOM 0 H ASN A 88 -7.964 2.457 -4.024 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.560 0.634 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.782 3.154 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.192 3.016 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.143 2.459 0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.824 3.494 -1.218 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.033 -0.973 -2.861 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.860 -2.094 -3.323 1.00 0.00 C ATOM 1013 C ASN A 89 -10.628 -2.417 -4.810 1.00 0.00 C ATOM 1014 O ASN A 89 -11.558 -2.533 -5.609 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.310 -1.941 -2.835 1.00 0.00 C ATOM 1016 CG ASN A 89 -12.995 -3.290 -2.692 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.832 -3.689 -3.486 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.659 -4.041 -1.663 1.00 0.00 N ATOM 0 H ASN A 89 -9.387 -1.263 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.535 -3.021 -2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.319 -1.424 -1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.868 -1.321 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.098 -4.952 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.960 -3.711 -0.997 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.343 -2.536 -5.161 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.849 -2.923 -6.496 1.00 0.00 C ATOM 1027 C ILE A 90 -8.567 -4.409 -6.513 1.00 0.00 C ATOM 1028 O ILE A 90 -8.244 -4.993 -5.482 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.557 -2.162 -6.877 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.352 -2.459 -5.956 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -7.886 -0.672 -6.989 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.027 -2.558 -6.701 1.00 0.00 C ATOM 0 H ILE A 90 -8.586 -2.360 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.620 -2.667 -7.223 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.216 -2.527 -7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.278 -1.674 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.532 -3.394 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.985 -0.120 -7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.645 -0.524 -7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.262 -0.310 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.226 -2.768 -5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.082 -3.362 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.824 -1.615 -7.209 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.620 -5.018 -7.696 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.138 -6.382 -7.849 1.00 0.00 C ATOM 1046 C GLU A 91 -6.593 -6.382 -7.856 1.00 0.00 C ATOM 1047 O GLU A 91 -5.944 -5.855 -8.757 1.00 0.00 O ATOM 1048 CB GLU A 91 -8.743 -7.019 -9.107 1.00 0.00 C ATOM 1049 CG GLU A 91 -9.151 -8.477 -8.899 1.00 0.00 C ATOM 1050 CD GLU A 91 -9.862 -9.041 -10.147 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -11.036 -8.672 -10.399 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -9.264 -9.859 -10.881 1.00 0.00 O ATOM 0 H GLU A 91 -8.986 -4.594 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.459 -6.994 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.616 -6.443 -9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.020 -6.962 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.268 -9.077 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.812 -8.553 -8.035 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.002 -6.953 -6.808 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.578 -7.271 -6.655 1.00 0.00 C ATOM 1061 C PHE A 92 -4.167 -8.386 -7.609 1.00 0.00 C ATOM 1062 O PHE A 92 -3.983 -9.542 -7.234 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.280 -7.676 -5.220 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.804 -7.836 -4.918 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -2.052 -6.693 -4.627 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.168 -9.090 -4.978 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.686 -6.804 -4.332 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -0.794 -9.202 -4.707 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.057 -8.056 -4.375 1.00 0.00 C ATOM 0 H PHE A 92 -6.540 -7.226 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.001 -6.379 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.699 -6.927 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.788 -8.616 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.525 -5.722 -4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.739 -9.970 -5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.117 -5.924 -4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.308 -10.165 -4.754 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.997 -8.138 -4.152 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.117 -8.025 -8.881 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.001 -8.855 -10.090 1.00 0.00 C ATOM 1081 C ARG A 93 -5.126 -9.904 -10.278 1.00 0.00 C ATOM 1082 O ARG A 93 -5.674 -10.038 -11.369 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.623 -9.529 -10.219 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.449 -8.600 -9.901 1.00 0.00 C ATOM 1085 CD ARG A 93 -0.119 -9.283 -10.229 1.00 0.00 C ATOM 1086 NE ARG A 93 0.981 -8.649 -9.494 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.385 -8.921 -8.269 1.00 0.00 C ATOM 1088 NH1 ARG A 93 0.877 -9.870 -7.547 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.333 -8.213 -7.751 1.00 0.00 N ATOM 0 H ARG A 93 -4.161 -7.036 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.119 -8.133 -10.898 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.585 -10.389 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.509 -9.910 -11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.542 -7.678 -10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.472 -8.323 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.174 -10.341 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.071 -9.225 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 93 1.491 -7.915 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.126 -10.450 -7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.228 -10.037 -6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.757 -7.457 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.658 -8.410 -6.804 1.00 0.00 H new ATOM 1103 N GLY A 94 -5.464 -10.617 -9.197 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.532 -11.603 -9.005 1.00 0.00 C ATOM 1105 C GLY A 94 -7.031 -11.732 -7.552 1.00 0.00 C ATOM 1106 O GLY A 94 -8.110 -12.296 -7.347 1.00 0.00 O ATOM 0 H GLY A 94 -4.931 -10.502 -8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.375 -11.336 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.175 -12.577 -9.341 1.00 0.00 H new ATOM 1110 N SER A 95 -6.302 -11.234 -6.530 1.00 0.00 N ATOM 1111 CA SER A 95 -6.841 -11.021 -5.183 1.00 0.00 C ATOM 1112 C SER A 95 -7.544 -9.665 -5.236 1.00 0.00 C ATOM 1113 O SER A 95 -7.664 -9.067 -6.293 1.00 0.00 O ATOM 1114 CB SER A 95 -5.693 -10.968 -4.151 1.00 0.00 C ATOM 1115 OG SER A 95 -5.531 -12.227 -3.530 1.00 0.00 O ATOM 0 H SER A 95 -5.321 -10.970 -6.623 1.00 0.00 H new ATOM 0 HA SER A 95 -7.515 -11.825 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.766 -10.676 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.907 -10.209 -3.399 1.00 0.00 H new ATOM 0 HG SER A 95 -4.799 -12.179 -2.880 1.00 0.00 H new ATOM 1121 N VAL A 96 -7.979 -9.111 -4.114 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.381 -7.691 -4.058 1.00 0.00 C ATOM 1123 C VAL A 96 -7.839 -7.076 -2.770 1.00 0.00 C ATOM 1124 O VAL A 96 -7.609 -7.786 -1.800 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.882 -7.404 -4.357 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.702 -8.602 -4.821 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.669 -6.609 -3.319 1.00 0.00 C ATOM 0 H VAL A 96 -8.067 -9.610 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.919 -7.177 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.748 -6.733 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.731 -8.291 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.277 -8.999 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.685 -9.374 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.697 -6.485 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.662 -7.144 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.210 -5.629 -3.187 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.592 -5.769 -2.758 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.135 -5.026 -1.582 1.00 0.00 C ATOM 1139 C ILE A 97 -7.869 -3.695 -1.479 1.00 0.00 C ATOM 1140 O ILE A 97 -8.120 -3.021 -2.470 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.608 -4.796 -1.578 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.070 -4.336 -2.942 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.854 -6.024 -1.044 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.597 -3.918 -2.916 1.00 0.00 C ATOM 0 H ILE A 97 -7.706 -5.181 -3.584 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.367 -5.638 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.420 -3.973 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.196 -5.144 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.670 -3.497 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.782 -5.826 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.174 -6.232 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.071 -6.886 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.290 -3.606 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.466 -3.089 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.985 -4.761 -2.595 1.00 0.00 H new ATOM 1156 N THR A 98 -8.174 -3.329 -0.242 1.00 0.00 N ATOM 1157 CA THR A 98 -8.804 -2.101 0.243 1.00 0.00 C ATOM 1158 C THR A 98 -7.720 -1.362 1.006 1.00 0.00 C ATOM 1159 O THR A 98 -6.937 -1.995 1.724 1.00 0.00 O ATOM 1160 CB THR A 98 -9.917 -2.484 1.217 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.858 -3.335 0.591 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.703 -1.320 1.797 1.00 0.00 C ATOM 0 H THR A 98 -7.963 -3.954 0.536 1.00 0.00 H new ATOM 0 HA THR A 98 -9.220 -1.499 -0.565 1.00 0.00 H new ATOM 0 HB THR A 98 -9.385 -2.970 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.562 -3.571 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.468 -1.699 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.028 -0.661 2.343 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.178 -0.763 0.989 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.637 -0.042 0.863 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.491 0.722 1.365 1.00 0.00 C ATOM 1172 C VAL A 99 -6.917 2.021 2.029 1.00 0.00 C ATOM 1173 O VAL A 99 -7.856 2.693 1.602 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.411 0.958 0.302 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.031 -0.338 -0.408 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.870 1.956 -0.730 1.00 0.00 C ATOM 0 H VAL A 99 -8.350 0.525 0.403 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.033 0.098 2.132 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.539 1.349 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.264 -0.133 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.647 -1.053 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.911 -0.756 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.083 2.102 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.767 1.582 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.092 2.906 -0.244 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.215 2.366 3.104 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.565 3.510 3.956 1.00 0.00 C ATOM 1188 C GLU A 100 -5.384 3.995 4.784 1.00 0.00 C ATOM 1189 O GLU A 100 -4.471 3.229 5.084 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.693 3.090 4.931 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.336 1.924 5.878 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.434 1.652 6.932 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.767 2.552 7.739 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -8.942 0.507 6.977 1.00 0.00 O ATOM 0 H GLU A 100 -5.384 1.862 3.414 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.882 4.320 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.973 3.954 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.571 2.810 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.172 1.021 5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.398 2.149 6.386 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.428 5.263 5.200 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.516 5.796 6.209 1.00 0.00 C ATOM 1203 C ARG A 101 -4.685 5.019 7.529 1.00 0.00 C ATOM 1204 O ARG A 101 -5.795 4.645 7.903 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.691 7.323 6.319 1.00 0.00 C ATOM 1206 CG ARG A 101 -5.773 7.855 7.253 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.240 7.500 6.999 1.00 0.00 C ATOM 1208 NE ARG A 101 -7.894 7.312 8.301 1.00 0.00 N ATOM 1209 CZ ARG A 101 -8.312 6.141 8.734 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.913 5.302 7.943 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -8.092 5.807 9.971 1.00 0.00 N ATOM 0 H ARG A 101 -6.097 5.947 4.846 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.476 5.646 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.738 7.746 6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.893 7.709 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.527 7.519 8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.697 8.942 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.732 8.293 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.314 6.592 6.401 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.031 8.128 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.069 5.546 6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.228 4.400 8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.601 6.449 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.410 4.903 10.319 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.588 4.776 8.233 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.507 3.863 9.385 1.00 0.00 C ATOM 1227 C ASP A 102 -2.991 4.529 10.676 1.00 0.00 C ATOM 1228 O ASP A 102 -3.393 4.145 11.776 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.592 2.712 8.970 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.301 1.727 10.110 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.109 0.802 10.363 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.220 1.838 10.729 1.00 0.00 O ATOM 0 H ASP A 102 -2.695 5.220 8.018 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.512 3.521 9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.051 2.173 8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.650 3.120 8.602 1.00 0.00 H new