USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 27 GLN : amide:sc= -0.533 K(o=-1.9,f=-3.9!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.34 K(o=-1.9,f=-3.7) USER MOD Set 2.1: A 12 HIS : no HE2:sc= 0.104 X(o=0.46,f=0.016) USER MOD Set 2.2: A 34 THR OG1 : rot 98:sc= 0.358 USER MOD Single : A 1 TRP N :NH3+ -176:sc= 0.545 (180deg=0.516) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0602) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= -0.361 (180deg=-0.438) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.512 USER MOD Single : A 29 GLN :FLIP amide:sc= 0.223 F(o=-0.75,f=0.22) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00834 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.0533 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.172 X(o=0.17,f=-0.014) USER MOD Single : A 68 SER OG : rot 28:sc= 0.292 USER MOD Single : A 71 MET CE :methyl -152:sc= -4.67! (180deg=-6.15!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0254) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 36:sc= 0.157 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.452 -0.100 -0.825 1.00 0.00 N ATOM 2 CA TRP A 1 2.396 -0.144 -1.957 1.00 0.00 C ATOM 3 C TRP A 1 3.803 -0.479 -1.430 1.00 0.00 C ATOM 4 O TRP A 1 4.451 0.367 -0.805 1.00 0.00 O ATOM 5 CB TRP A 1 2.391 1.204 -2.730 1.00 0.00 C ATOM 6 CG TRP A 1 1.119 1.534 -3.483 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.077 0.866 -3.465 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.940 2.632 -4.385 1.00 0.00 C ATOM 9 NE1 TRP A 1 -0.971 1.477 -4.303 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.373 2.569 -4.872 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.770 3.668 -4.812 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -0.873 3.489 -5.792 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.273 4.586 -5.714 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.040 4.497 -6.193 1.00 0.00 C ATOM 0 H1 TRP A 1 0.488 0.059 -1.183 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.486 -1.003 -0.310 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.715 0.675 -0.183 1.00 0.00 H new ATOM 0 HA TRP A 1 2.087 -0.920 -2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.588 2.007 -2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.218 1.196 -3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.285 -0.015 -2.875 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -1.928 1.168 -4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.782 3.750 -4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -1.880 3.409 -6.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.909 5.389 -6.057 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.401 5.237 -6.891 1.00 0.00 H new ATOM 27 N ARG A 2 4.242 -1.735 -1.658 1.00 0.00 N ATOM 28 CA ARG A 2 5.597 -2.215 -1.316 1.00 0.00 C ATOM 29 C ARG A 2 6.599 -1.762 -2.408 1.00 0.00 C ATOM 30 O ARG A 2 7.102 -2.577 -3.189 1.00 0.00 O ATOM 31 CB ARG A 2 5.592 -3.766 -1.161 1.00 0.00 C ATOM 32 CG ARG A 2 4.644 -4.297 -0.061 1.00 0.00 C ATOM 33 CD ARG A 2 4.827 -5.803 0.225 1.00 0.00 C ATOM 34 NE ARG A 2 4.497 -6.647 -0.939 1.00 0.00 N ATOM 35 CZ ARG A 2 4.676 -7.978 -1.020 1.00 0.00 C ATOM 36 NH1 ARG A 2 5.228 -8.661 -0.022 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.313 -8.615 -2.120 1.00 0.00 N ATOM 0 H ARG A 2 3.659 -2.452 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 2 5.908 -1.785 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.309 -4.213 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.606 -4.100 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.814 -3.736 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.612 -4.113 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.859 -5.989 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.196 -6.088 1.066 1.00 0.00 H new ATOM 0 HE ARG A 2 4.098 -6.181 -1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.525 -8.176 0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.355 -9.670 -0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.902 -8.098 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.444 -9.624 -2.192 1.00 0.00 H new ATOM 51 N VAL A 3 6.861 -0.449 -2.448 1.00 0.00 N ATOM 52 CA VAL A 3 7.635 0.200 -3.524 1.00 0.00 C ATOM 53 C VAL A 3 9.147 -0.009 -3.324 1.00 0.00 C ATOM 54 O VAL A 3 9.660 0.181 -2.225 1.00 0.00 O ATOM 55 CB VAL A 3 7.302 1.736 -3.582 1.00 0.00 C ATOM 56 CG1 VAL A 3 8.160 2.486 -4.631 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.793 1.955 -3.838 1.00 0.00 C ATOM 0 H VAL A 3 6.541 0.201 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 3 7.352 -0.262 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 3 7.556 2.159 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.892 3.543 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.216 2.380 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.977 2.064 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.582 3.024 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.515 1.497 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.217 1.499 -3.033 1.00 0.00 H new ATOM 67 N ARG A 4 9.845 -0.400 -4.399 1.00 0.00 N ATOM 68 CA ARG A 4 11.302 -0.603 -4.390 1.00 0.00 C ATOM 69 C ARG A 4 12.024 0.745 -4.617 1.00 0.00 C ATOM 70 O ARG A 4 11.579 1.558 -5.428 1.00 0.00 O ATOM 71 CB ARG A 4 11.701 -1.631 -5.482 1.00 0.00 C ATOM 72 CG ARG A 4 11.084 -3.033 -5.301 1.00 0.00 C ATOM 73 CD ARG A 4 11.498 -4.012 -6.414 1.00 0.00 C ATOM 74 NE ARG A 4 10.859 -5.337 -6.259 1.00 0.00 N ATOM 75 CZ ARG A 4 10.863 -6.318 -7.175 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.479 -6.161 -8.341 1.00 0.00 N ATOM 77 NH2 ARG A 4 10.241 -7.460 -6.921 1.00 0.00 N ATOM 0 H ARG A 4 9.413 -0.586 -5.304 1.00 0.00 H new ATOM 0 HA ARG A 4 11.604 -0.997 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.404 -1.241 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.787 -1.725 -5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.388 -3.437 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.997 -2.948 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.229 -3.592 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.582 -4.130 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 4 10.374 -5.521 -5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.958 -5.285 -8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.473 -6.916 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.761 -7.592 -6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.243 -8.207 -7.616 1.00 0.00 H new ATOM 91 N CYS A 5 13.142 0.961 -3.901 1.00 0.00 N ATOM 92 CA CYS A 5 13.931 2.210 -3.955 1.00 0.00 C ATOM 93 C CYS A 5 15.396 1.899 -4.292 1.00 0.00 C ATOM 94 O CYS A 5 16.171 1.529 -3.416 1.00 0.00 O ATOM 95 CB CYS A 5 13.815 2.952 -2.598 1.00 0.00 C ATOM 96 SG CYS A 5 15.055 4.236 -2.302 1.00 0.00 S ATOM 0 H CYS A 5 13.529 0.267 -3.261 1.00 0.00 H new ATOM 0 HA CYS A 5 13.538 2.856 -4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 5 12.826 3.406 -2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 5 13.880 2.217 -1.796 1.00 0.00 H new ATOM 0 HG CYS A 5 14.848 4.779 -1.139 1.00 0.00 H new ATOM 102 N LYS A 6 15.772 2.020 -5.578 1.00 0.00 N ATOM 103 CA LYS A 6 17.164 1.828 -6.016 1.00 0.00 C ATOM 104 C LYS A 6 17.958 3.103 -5.724 1.00 0.00 C ATOM 105 O LYS A 6 17.834 4.093 -6.447 1.00 0.00 O ATOM 106 CB LYS A 6 17.256 1.497 -7.532 1.00 0.00 C ATOM 107 CG LYS A 6 18.684 1.146 -8.015 1.00 0.00 C ATOM 108 CD LYS A 6 19.183 -0.211 -7.447 1.00 0.00 C ATOM 109 CE LYS A 6 18.479 -1.428 -8.077 1.00 0.00 C ATOM 110 NZ LYS A 6 18.812 -1.595 -9.510 1.00 0.00 N ATOM 0 H LYS A 6 15.127 2.251 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 6 17.578 0.982 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.593 0.660 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.890 2.351 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.697 1.108 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.371 1.937 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.257 -0.294 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.025 -0.226 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.763 -2.329 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.400 -1.316 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.426 -2.498 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.399 -0.812 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.845 -1.593 -9.629 1.00 0.00 H new ATOM 124 N ALA A 7 18.755 3.075 -4.658 1.00 0.00 N ATOM 125 CA ALA A 7 19.596 4.204 -4.249 1.00 0.00 C ATOM 126 C ALA A 7 21.037 3.722 -4.098 1.00 0.00 C ATOM 127 O ALA A 7 21.289 2.764 -3.359 1.00 0.00 O ATOM 128 CB ALA A 7 19.065 4.817 -2.949 1.00 0.00 C ATOM 0 H ALA A 7 18.838 2.262 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 7 19.569 4.984 -5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.698 5.654 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.045 5.170 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.073 4.063 -2.162 1.00 0.00 H new ATOM 134 N LYS A 8 21.961 4.362 -4.847 1.00 0.00 N ATOM 135 CA LYS A 8 23.422 4.064 -4.836 1.00 0.00 C ATOM 136 C LYS A 8 23.736 2.659 -5.399 1.00 0.00 C ATOM 137 O LYS A 8 24.836 2.133 -5.198 1.00 0.00 O ATOM 138 CB LYS A 8 24.020 4.224 -3.407 1.00 0.00 C ATOM 139 CG LYS A 8 23.772 5.599 -2.745 1.00 0.00 C ATOM 140 CD LYS A 8 24.380 5.686 -1.323 1.00 0.00 C ATOM 141 CE LYS A 8 25.909 5.489 -1.322 1.00 0.00 C ATOM 142 NZ LYS A 8 26.601 6.468 -2.196 1.00 0.00 N ATOM 0 H LYS A 8 21.715 5.115 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 8 23.895 4.794 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.602 3.448 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.095 4.051 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.201 6.383 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.699 5.785 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.142 6.657 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.919 4.930 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.285 5.584 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.144 4.478 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.616 6.245 -2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.203 6.419 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.470 7.427 -1.815 1.00 0.00 H new ATOM 156 N GLY A 9 22.769 2.077 -6.132 1.00 0.00 N ATOM 157 CA GLY A 9 22.880 0.704 -6.634 1.00 0.00 C ATOM 158 C GLY A 9 22.297 -0.336 -5.667 1.00 0.00 C ATOM 159 O GLY A 9 22.168 -1.515 -6.026 1.00 0.00 O ATOM 0 H GLY A 9 21.899 2.544 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 9 22.365 0.630 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.929 0.474 -6.818 1.00 0.00 H new ATOM 163 N GLY A 10 21.940 0.111 -4.438 1.00 0.00 N ATOM 164 CA GLY A 10 21.334 -0.745 -3.412 1.00 0.00 C ATOM 165 C GLY A 10 19.822 -0.580 -3.376 1.00 0.00 C ATOM 166 O GLY A 10 19.325 0.533 -3.155 1.00 0.00 O ATOM 0 H GLY A 10 22.068 1.078 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.583 -1.787 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.752 -0.498 -2.436 1.00 0.00 H new ATOM 170 N THR A 11 19.083 -1.679 -3.616 1.00 0.00 N ATOM 171 CA THR A 11 17.613 -1.660 -3.637 1.00 0.00 C ATOM 172 C THR A 11 17.058 -1.695 -2.198 1.00 0.00 C ATOM 173 O THR A 11 17.543 -2.456 -1.353 1.00 0.00 O ATOM 174 CB THR A 11 17.024 -2.869 -4.446 1.00 0.00 C ATOM 175 OG1 THR A 11 17.846 -3.136 -5.589 1.00 0.00 O ATOM 176 CG2 THR A 11 15.577 -2.595 -4.920 1.00 0.00 C ATOM 0 H THR A 11 19.487 -2.598 -3.799 1.00 0.00 H new ATOM 0 HA THR A 11 17.310 -0.737 -4.131 1.00 0.00 H new ATOM 0 HB THR A 11 17.009 -3.731 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.475 -3.893 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.207 -3.456 -5.476 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.938 -2.420 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.565 -1.716 -5.564 1.00 0.00 H new ATOM 184 N HIS A 12 16.051 -0.855 -1.941 1.00 0.00 N ATOM 185 CA HIS A 12 15.345 -0.768 -0.649 1.00 0.00 C ATOM 186 C HIS A 12 13.866 -1.112 -0.880 1.00 0.00 C ATOM 187 O HIS A 12 13.459 -1.365 -2.024 1.00 0.00 O ATOM 188 CB HIS A 12 15.496 0.653 -0.037 1.00 0.00 C ATOM 189 CG HIS A 12 16.928 1.115 0.127 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.680 0.857 1.249 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.745 1.802 -0.710 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.886 1.371 1.103 1.00 0.00 C ATOM 193 NE2 HIS A 12 18.952 1.951 -0.076 1.00 0.00 N ATOM 0 H HIS A 12 15.693 -0.201 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 12 15.778 -1.474 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.967 1.366 -0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.008 0.669 0.938 1.00 0.00 H new ATOM 0 HD1 HIS A 12 17.355 0.346 2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.491 2.165 -1.695 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.684 1.324 1.829 1.00 0.00 H new ATOM 202 N LEU A 13 13.066 -1.125 0.195 1.00 0.00 N ATOM 203 CA LEU A 13 11.636 -1.476 0.115 1.00 0.00 C ATOM 204 C LEU A 13 10.855 -0.648 1.157 1.00 0.00 C ATOM 205 O LEU A 13 11.043 -0.809 2.363 1.00 0.00 O ATOM 206 CB LEU A 13 11.456 -3.020 0.322 1.00 0.00 C ATOM 207 CG LEU A 13 10.145 -3.687 -0.223 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.889 -3.241 0.540 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.993 -3.455 -1.738 1.00 0.00 C ATOM 0 H LEU A 13 13.385 -0.896 1.136 1.00 0.00 H new ATOM 0 HA LEU A 13 11.237 -1.236 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.304 -3.521 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.514 -3.223 1.391 1.00 0.00 H new ATOM 0 HG LEU A 13 10.245 -4.759 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.013 -3.735 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.987 -3.511 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.774 -2.161 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.076 -3.928 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.949 -2.385 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.847 -3.888 -2.260 1.00 0.00 H new ATOM 221 N LEU A 14 9.988 0.241 0.654 1.00 0.00 N ATOM 222 CA LEU A 14 9.102 1.092 1.457 1.00 0.00 C ATOM 223 C LEU A 14 7.666 0.546 1.377 1.00 0.00 C ATOM 224 O LEU A 14 7.009 0.671 0.341 1.00 0.00 O ATOM 225 CB LEU A 14 9.143 2.577 0.968 1.00 0.00 C ATOM 226 CG LEU A 14 10.471 3.372 1.194 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.622 2.877 0.286 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.244 4.896 1.033 1.00 0.00 C ATOM 0 H LEU A 14 9.881 0.391 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 14 9.446 1.075 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.922 2.587 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.338 3.118 1.465 1.00 0.00 H new ATOM 0 HG LEU A 14 10.781 3.181 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.519 3.463 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.822 1.826 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.336 2.993 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.184 5.423 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.880 5.105 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.508 5.233 1.763 1.00 0.00 H new ATOM 240 N GLN A 15 7.205 -0.090 2.473 1.00 0.00 N ATOM 241 CA GLN A 15 5.799 -0.542 2.623 1.00 0.00 C ATOM 242 C GLN A 15 4.903 0.599 3.132 1.00 0.00 C ATOM 243 O GLN A 15 3.674 0.537 3.000 1.00 0.00 O ATOM 244 CB GLN A 15 5.708 -1.758 3.587 1.00 0.00 C ATOM 245 CG GLN A 15 6.303 -3.046 3.007 1.00 0.00 C ATOM 246 CD GLN A 15 6.176 -4.271 3.913 1.00 0.00 C ATOM 247 OE1 GLN A 15 5.271 -4.368 4.742 1.00 0.00 O ATOM 248 NE2 GLN A 15 7.052 -5.239 3.712 1.00 0.00 N ATOM 0 H GLN A 15 7.792 -0.306 3.279 1.00 0.00 H new ATOM 0 HA GLN A 15 5.445 -0.848 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.225 -1.515 4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.662 -1.933 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.814 -3.261 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.358 -2.878 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.789 -5.124 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.991 -6.102 4.252 1.00 0.00 H new ATOM 257 N GLY A 16 5.535 1.643 3.698 1.00 0.00 N ATOM 258 CA GLY A 16 4.823 2.794 4.263 1.00 0.00 C ATOM 259 C GLY A 16 4.412 3.848 3.235 1.00 0.00 C ATOM 260 O GLY A 16 4.245 5.020 3.581 1.00 0.00 O ATOM 0 H GLY A 16 6.550 1.709 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.930 2.437 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.457 3.265 5.015 1.00 0.00 H new ATOM 264 N LEU A 17 4.261 3.433 1.965 1.00 0.00 N ATOM 265 CA LEU A 17 3.789 4.300 0.872 1.00 0.00 C ATOM 266 C LEU A 17 2.386 3.860 0.440 1.00 0.00 C ATOM 267 O LEU A 17 2.166 2.687 0.125 1.00 0.00 O ATOM 268 CB LEU A 17 4.766 4.252 -0.334 1.00 0.00 C ATOM 269 CG LEU A 17 6.208 4.784 -0.052 1.00 0.00 C ATOM 270 CD1 LEU A 17 7.084 4.704 -1.320 1.00 0.00 C ATOM 271 CD2 LEU A 17 6.169 6.224 0.522 1.00 0.00 C ATOM 0 H LEU A 17 4.465 2.479 1.666 1.00 0.00 H new ATOM 0 HA LEU A 17 3.750 5.328 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.839 3.221 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.337 4.832 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 17 6.663 4.143 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.082 5.080 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.152 3.667 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.637 5.308 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.186 6.569 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.686 6.888 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.607 6.228 1.456 1.00 0.00 H new ATOM 283 N SER A 18 1.445 4.805 0.483 1.00 0.00 N ATOM 284 CA SER A 18 0.074 4.643 -0.032 1.00 0.00 C ATOM 285 C SER A 18 -0.123 5.584 -1.238 1.00 0.00 C ATOM 286 O SER A 18 0.735 6.425 -1.498 1.00 0.00 O ATOM 287 CB SER A 18 -0.934 4.955 1.097 1.00 0.00 C ATOM 288 OG SER A 18 -0.688 4.149 2.238 1.00 0.00 O ATOM 0 H SER A 18 1.614 5.727 0.885 1.00 0.00 H new ATOM 0 HA SER A 18 -0.093 3.618 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.865 6.008 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.950 4.785 0.740 1.00 0.00 H new ATOM 0 HG SER A 18 -1.338 4.367 2.939 1.00 0.00 H new ATOM 294 N SER A 19 -1.254 5.456 -1.958 1.00 0.00 N ATOM 295 CA SER A 19 -1.505 6.230 -3.201 1.00 0.00 C ATOM 296 C SER A 19 -1.441 7.761 -2.959 1.00 0.00 C ATOM 297 O SER A 19 -0.849 8.504 -3.745 1.00 0.00 O ATOM 298 CB SER A 19 -2.878 5.850 -3.815 1.00 0.00 C ATOM 299 OG SER A 19 -3.088 6.512 -5.057 1.00 0.00 O ATOM 0 H SER A 19 -2.013 4.824 -1.704 1.00 0.00 H new ATOM 0 HA SER A 19 -0.712 5.970 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.927 4.771 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.675 6.114 -3.120 1.00 0.00 H new ATOM 0 HG SER A 19 -3.960 6.253 -5.422 1.00 0.00 H new ATOM 305 N ARG A 20 -2.024 8.204 -1.830 1.00 0.00 N ATOM 306 CA ARG A 20 -2.201 9.638 -1.506 1.00 0.00 C ATOM 307 C ARG A 20 -1.020 10.197 -0.677 1.00 0.00 C ATOM 308 O ARG A 20 -1.143 11.270 -0.071 1.00 0.00 O ATOM 309 CB ARG A 20 -3.549 9.838 -0.744 1.00 0.00 C ATOM 310 CG ARG A 20 -4.814 9.363 -1.502 1.00 0.00 C ATOM 311 CD ARG A 20 -5.179 10.268 -2.695 1.00 0.00 C ATOM 312 NE ARG A 20 -5.591 11.626 -2.267 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.136 12.560 -3.070 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.376 12.304 -4.349 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.460 13.746 -2.590 1.00 0.00 N ATOM 0 H ARG A 20 -2.388 7.578 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.224 10.195 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.493 9.306 0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.662 10.897 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.655 8.346 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.654 9.329 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.323 10.345 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.988 9.808 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.451 11.873 -1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.147 11.389 -4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.789 13.022 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.298 13.959 -1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.872 14.449 -3.203 1.00 0.00 H new ATOM 329 N THR A 21 0.115 9.476 -0.668 1.00 0.00 N ATOM 330 CA THR A 21 1.360 9.938 -0.028 1.00 0.00 C ATOM 331 C THR A 21 1.941 11.141 -0.803 1.00 0.00 C ATOM 332 O THR A 21 2.187 11.044 -2.005 1.00 0.00 O ATOM 333 CB THR A 21 2.390 8.761 0.040 1.00 0.00 C ATOM 334 OG1 THR A 21 1.857 7.701 0.846 1.00 0.00 O ATOM 335 CG2 THR A 21 3.753 9.175 0.599 1.00 0.00 C ATOM 0 H THR A 21 0.195 8.557 -1.104 1.00 0.00 H new ATOM 0 HA THR A 21 1.144 10.264 0.989 1.00 0.00 H new ATOM 0 HB THR A 21 2.551 8.432 -0.987 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.570 7.323 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.417 8.310 0.618 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.185 9.951 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.630 9.559 1.612 1.00 0.00 H new ATOM 343 N ARG A 22 2.123 12.279 -0.102 1.00 0.00 N ATOM 344 CA ARG A 22 2.672 13.513 -0.705 1.00 0.00 C ATOM 345 C ARG A 22 4.200 13.424 -0.844 1.00 0.00 C ATOM 346 O ARG A 22 4.795 12.447 -0.413 1.00 0.00 O ATOM 347 CB ARG A 22 2.290 14.749 0.149 1.00 0.00 C ATOM 348 CG ARG A 22 0.789 15.098 0.133 1.00 0.00 C ATOM 349 CD ARG A 22 0.453 16.287 1.052 1.00 0.00 C ATOM 350 NE ARG A 22 -0.904 16.819 0.802 1.00 0.00 N ATOM 351 CZ ARG A 22 -1.985 16.621 1.572 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.938 15.807 2.624 1.00 0.00 N ATOM 353 NH2 ARG A 22 -3.121 17.230 1.264 1.00 0.00 N ATOM 0 H ARG A 22 1.896 12.370 0.888 1.00 0.00 H new ATOM 0 HA ARG A 22 2.240 13.622 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.598 14.572 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.854 15.610 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.484 15.333 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.213 14.227 0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.533 15.974 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.186 17.080 0.901 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.030 17.390 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.071 15.322 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.769 15.668 3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.167 17.842 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.949 17.087 1.842 1.00 0.00 H new ATOM 367 N LEU A 23 4.810 14.474 -1.440 1.00 0.00 N ATOM 368 CA LEU A 23 6.285 14.628 -1.554 1.00 0.00 C ATOM 369 C LEU A 23 6.943 14.543 -0.172 1.00 0.00 C ATOM 370 O LEU A 23 7.906 13.801 0.034 1.00 0.00 O ATOM 371 CB LEU A 23 6.629 16.001 -2.238 1.00 0.00 C ATOM 372 CG LEU A 23 8.159 16.428 -2.349 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.392 17.380 -3.534 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.715 17.105 -1.061 1.00 0.00 C ATOM 0 H LEU A 23 4.292 15.246 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 23 6.675 13.818 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.215 15.983 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.104 16.785 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 23 8.698 15.492 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.447 17.652 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.104 16.884 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.791 18.280 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.762 17.368 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.141 18.007 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.631 16.414 -0.222 1.00 0.00 H new ATOM 386 N ARG A 24 6.402 15.345 0.754 1.00 0.00 N ATOM 387 CA ARG A 24 6.964 15.534 2.102 1.00 0.00 C ATOM 388 C ARG A 24 7.003 14.218 2.915 1.00 0.00 C ATOM 389 O ARG A 24 7.885 14.033 3.761 1.00 0.00 O ATOM 390 CB ARG A 24 6.179 16.645 2.844 1.00 0.00 C ATOM 391 CG ARG A 24 4.648 16.444 2.872 1.00 0.00 C ATOM 392 CD ARG A 24 3.932 17.395 3.842 1.00 0.00 C ATOM 393 NE ARG A 24 4.457 17.253 5.217 1.00 0.00 N ATOM 394 CZ ARG A 24 3.753 17.351 6.343 1.00 0.00 C ATOM 395 NH1 ARG A 24 2.445 17.534 6.313 1.00 0.00 N ATOM 396 NH2 ARG A 24 4.374 17.247 7.504 1.00 0.00 N ATOM 0 H ARG A 24 5.554 15.887 0.589 1.00 0.00 H new ATOM 0 HA ARG A 24 8.002 15.849 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.543 16.705 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.398 17.603 2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.250 16.592 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.428 15.414 3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.059 18.424 3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.862 17.187 3.835 1.00 0.00 H new ATOM 0 HE ARG A 24 5.454 17.062 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.960 17.602 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.920 17.607 7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.382 17.093 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.846 17.320 8.373 1.00 0.00 H new ATOM 410 N GLU A 25 6.046 13.312 2.647 1.00 0.00 N ATOM 411 CA GLU A 25 6.077 11.942 3.187 1.00 0.00 C ATOM 412 C GLU A 25 7.023 11.057 2.352 1.00 0.00 C ATOM 413 O GLU A 25 7.850 10.371 2.908 1.00 0.00 O ATOM 414 CB GLU A 25 4.657 11.319 3.220 1.00 0.00 C ATOM 415 CG GLU A 25 3.734 11.824 4.340 1.00 0.00 C ATOM 416 CD GLU A 25 3.378 13.307 4.249 1.00 0.00 C ATOM 417 OE1 GLU A 25 2.693 13.693 3.282 1.00 0.00 O ATOM 418 OE2 GLU A 25 3.790 14.094 5.131 1.00 0.00 O ATOM 0 H GLU A 25 5.237 13.506 2.056 1.00 0.00 H new ATOM 0 HA GLU A 25 6.449 11.995 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.174 11.511 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.757 10.238 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.813 11.241 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.214 11.637 5.301 1.00 0.00 H new ATOM 425 N LEU A 26 6.904 11.126 1.013 1.00 0.00 N ATOM 426 CA LEU A 26 7.609 10.221 0.071 1.00 0.00 C ATOM 427 C LEU A 26 9.135 10.396 0.191 1.00 0.00 C ATOM 428 O LEU A 26 9.822 9.519 0.726 1.00 0.00 O ATOM 429 CB LEU A 26 7.076 10.473 -1.389 1.00 0.00 C ATOM 430 CG LEU A 26 7.646 9.612 -2.587 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.922 10.210 -3.195 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.864 8.143 -2.181 1.00 0.00 C ATOM 0 H LEU A 26 6.313 11.814 0.546 1.00 0.00 H new ATOM 0 HA LEU A 26 7.401 9.181 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.995 10.332 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.256 11.522 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 26 6.883 9.637 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.267 9.577 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.710 11.209 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.696 10.269 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.256 7.585 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.575 8.095 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.915 7.707 -1.868 1.00 0.00 H new ATOM 444 N GLN A 27 9.637 11.568 -0.234 1.00 0.00 N ATOM 445 CA GLN A 27 11.076 11.893 -0.185 1.00 0.00 C ATOM 446 C GLN A 27 11.580 12.017 1.271 1.00 0.00 C ATOM 447 O GLN A 27 12.783 11.885 1.528 1.00 0.00 O ATOM 448 CB GLN A 27 11.391 13.187 -0.985 1.00 0.00 C ATOM 449 CG GLN A 27 11.099 13.122 -2.498 1.00 0.00 C ATOM 450 CD GLN A 27 11.691 14.308 -3.274 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.064 15.347 -3.419 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.908 14.157 -3.776 1.00 0.00 N ATOM 0 H GLN A 27 9.060 12.316 -0.620 1.00 0.00 H new ATOM 0 HA GLN A 27 11.608 11.066 -0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.815 14.007 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.444 13.431 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.503 12.193 -2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.021 13.095 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.410 13.280 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.343 14.918 -4.298 1.00 0.00 H new ATOM 461 N GLY A 28 10.636 12.248 2.200 1.00 0.00 N ATOM 462 CA GLY A 28 10.922 12.305 3.634 1.00 0.00 C ATOM 463 C GLY A 28 11.227 10.928 4.220 1.00 0.00 C ATOM 464 O GLY A 28 12.123 10.786 5.061 1.00 0.00 O ATOM 0 H GLY A 28 9.654 12.400 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.771 12.967 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.068 12.738 4.155 1.00 0.00 H new ATOM 468 N GLN A 29 10.496 9.900 3.738 1.00 0.00 N ATOM 469 CA GLN A 29 10.692 8.501 4.165 1.00 0.00 C ATOM 470 C GLN A 29 11.972 7.950 3.542 1.00 0.00 C ATOM 471 O GLN A 29 12.710 7.235 4.192 1.00 0.00 O ATOM 472 CB GLN A 29 9.483 7.609 3.772 1.00 0.00 C ATOM 473 CG GLN A 29 8.204 7.859 4.604 1.00 0.00 C ATOM 474 CD GLN A 29 6.987 7.065 4.120 1.00 0.00 C ATOM 475 OE1 GLN A 29 7.206 5.854 3.620 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 5.852 7.529 4.219 1.00 0.00 N flip ATOM 0 H GLN A 29 9.757 10.017 3.045 1.00 0.00 H new ATOM 0 HA GLN A 29 10.775 8.487 5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.254 7.773 2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.770 6.563 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.403 7.603 5.645 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.966 8.922 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.715 8.462 4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.048 6.980 3.913 1.00 0.00 H new ATOM 485 N ILE A 30 12.216 8.309 2.272 1.00 0.00 N ATOM 486 CA ILE A 30 13.458 7.964 1.550 1.00 0.00 C ATOM 487 C ILE A 30 14.704 8.504 2.311 1.00 0.00 C ATOM 488 O ILE A 30 15.724 7.812 2.438 1.00 0.00 O ATOM 489 CB ILE A 30 13.405 8.540 0.087 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.239 7.887 -0.732 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.754 8.376 -0.643 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.996 8.507 -2.101 1.00 0.00 C ATOM 0 H ILE A 30 11.557 8.849 1.712 1.00 0.00 H new ATOM 0 HA ILE A 30 13.543 6.879 1.495 1.00 0.00 H new ATOM 0 HB ILE A 30 13.207 9.609 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.455 6.826 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.321 7.957 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.675 8.786 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.532 8.908 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.010 7.318 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.172 7.991 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.745 9.561 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.897 8.414 -2.708 1.00 0.00 H new ATOM 504 N ALA A 31 14.573 9.732 2.841 1.00 0.00 N ATOM 505 CA ALA A 31 15.603 10.388 3.677 1.00 0.00 C ATOM 506 C ALA A 31 15.864 9.605 4.993 1.00 0.00 C ATOM 507 O ALA A 31 16.937 9.724 5.593 1.00 0.00 O ATOM 508 CB ALA A 31 15.189 11.842 3.964 1.00 0.00 C ATOM 0 H ALA A 31 13.742 10.306 2.702 1.00 0.00 H new ATOM 0 HA ALA A 31 16.543 10.391 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.950 12.322 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.088 12.384 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.236 11.851 4.492 1.00 0.00 H new ATOM 514 N ALA A 32 14.862 8.824 5.431 1.00 0.00 N ATOM 515 CA ALA A 32 14.955 7.954 6.631 1.00 0.00 C ATOM 516 C ALA A 32 15.440 6.521 6.269 1.00 0.00 C ATOM 517 O ALA A 32 16.128 5.870 7.068 1.00 0.00 O ATOM 518 CB ALA A 32 13.585 7.895 7.328 1.00 0.00 C ATOM 0 H ALA A 32 13.956 8.773 4.964 1.00 0.00 H new ATOM 0 HA ALA A 32 15.693 8.384 7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.652 7.257 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.287 8.899 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.844 7.487 6.640 1.00 0.00 H new ATOM 524 N ILE A 33 15.071 6.051 5.057 1.00 0.00 N ATOM 525 CA ILE A 33 15.326 4.666 4.580 1.00 0.00 C ATOM 526 C ILE A 33 16.782 4.530 4.085 1.00 0.00 C ATOM 527 O ILE A 33 17.588 3.792 4.667 1.00 0.00 O ATOM 528 CB ILE A 33 14.319 4.270 3.415 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.841 4.187 3.928 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.729 2.954 2.703 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.509 2.976 4.785 1.00 0.00 C ATOM 0 H ILE A 33 14.582 6.626 4.372 1.00 0.00 H new ATOM 0 HA ILE A 33 15.168 3.986 5.417 1.00 0.00 H new ATOM 0 HB ILE A 33 14.375 5.070 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.624 5.087 4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.175 4.192 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.010 2.727 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.721 3.070 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.745 2.139 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.462 3.019 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.685 2.066 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.141 2.974 5.673 1.00 0.00 H new ATOM 543 N THR A 34 17.099 5.250 2.999 1.00 0.00 N ATOM 544 CA THR A 34 18.421 5.193 2.343 1.00 0.00 C ATOM 545 C THR A 34 19.306 6.379 2.765 1.00 0.00 C ATOM 546 O THR A 34 20.521 6.369 2.536 1.00 0.00 O ATOM 547 CB THR A 34 18.259 5.148 0.791 1.00 0.00 C ATOM 548 OG1 THR A 34 19.538 4.998 0.153 1.00 0.00 O ATOM 549 CG2 THR A 34 17.541 6.385 0.234 1.00 0.00 C ATOM 0 H THR A 34 16.447 5.891 2.547 1.00 0.00 H new ATOM 0 HA THR A 34 18.918 4.278 2.666 1.00 0.00 H new ATOM 0 HB THR A 34 17.635 4.282 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.683 4.055 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.456 6.300 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.545 6.455 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.111 7.280 0.484 1.00 0.00 H new ATOM 557 N GLY A 35 18.679 7.411 3.351 1.00 0.00 N ATOM 558 CA GLY A 35 19.409 8.543 3.914 1.00 0.00 C ATOM 559 C GLY A 35 19.701 9.658 2.920 1.00 0.00 C ATOM 560 O GLY A 35 20.334 10.648 3.295 1.00 0.00 O ATOM 0 H GLY A 35 17.666 7.479 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.835 8.954 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.352 8.183 4.326 1.00 0.00 H new ATOM 564 N ILE A 36 19.248 9.518 1.650 1.00 0.00 N ATOM 565 CA ILE A 36 19.471 10.558 0.626 1.00 0.00 C ATOM 566 C ILE A 36 18.449 11.688 0.852 1.00 0.00 C ATOM 567 O ILE A 36 17.234 11.441 0.806 1.00 0.00 O ATOM 568 CB ILE A 36 19.358 10.023 -0.862 1.00 0.00 C ATOM 569 CG1 ILE A 36 20.098 8.655 -1.055 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.883 11.082 -1.873 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.551 8.619 -0.593 1.00 0.00 C ATOM 0 H ILE A 36 18.732 8.703 1.317 1.00 0.00 H new ATOM 0 HA ILE A 36 20.495 10.914 0.740 1.00 0.00 H new ATOM 0 HB ILE A 36 18.301 9.848 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.546 7.885 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 36 20.065 8.391 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.795 10.692 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.294 11.995 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.929 11.303 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.965 7.627 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.128 9.359 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.600 8.845 0.472 1.00 0.00 H new ATOM 583 N ALA A 37 18.967 12.907 1.115 1.00 0.00 N ATOM 584 CA ALA A 37 18.151 14.107 1.402 1.00 0.00 C ATOM 585 C ALA A 37 17.201 14.431 0.229 1.00 0.00 C ATOM 586 O ALA A 37 17.604 14.272 -0.922 1.00 0.00 O ATOM 587 CB ALA A 37 19.071 15.309 1.684 1.00 0.00 C ATOM 0 H ALA A 37 19.971 13.088 1.134 1.00 0.00 H new ATOM 0 HA ALA A 37 17.541 13.902 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.465 16.190 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.703 15.089 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.698 15.500 0.813 1.00 0.00 H new ATOM 593 N PRO A 38 15.930 14.904 0.506 1.00 0.00 N ATOM 594 CA PRO A 38 14.914 15.204 -0.551 1.00 0.00 C ATOM 595 C PRO A 38 15.411 16.232 -1.606 1.00 0.00 C ATOM 596 O PRO A 38 14.978 16.202 -2.761 1.00 0.00 O ATOM 597 CB PRO A 38 13.698 15.746 0.261 1.00 0.00 C ATOM 598 CG PRO A 38 14.266 16.153 1.589 1.00 0.00 C ATOM 599 CD PRO A 38 15.378 15.175 1.866 1.00 0.00 C ATOM 0 HA PRO A 38 14.676 14.324 -1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.232 16.592 -0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.930 14.982 0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.641 17.176 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.506 16.115 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.131 15.597 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.008 14.266 2.340 1.00 0.00 H new ATOM 607 N GLY A 39 16.338 17.118 -1.189 1.00 0.00 N ATOM 608 CA GLY A 39 16.985 18.089 -2.088 1.00 0.00 C ATOM 609 C GLY A 39 18.321 17.580 -2.641 1.00 0.00 C ATOM 610 O GLY A 39 19.216 18.375 -2.955 1.00 0.00 O ATOM 0 H GLY A 39 16.657 17.179 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.314 18.314 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.150 19.023 -1.550 1.00 0.00 H new ATOM 614 N SER A 40 18.455 16.247 -2.734 1.00 0.00 N ATOM 615 CA SER A 40 19.648 15.561 -3.277 1.00 0.00 C ATOM 616 C SER A 40 19.210 14.320 -4.094 1.00 0.00 C ATOM 617 O SER A 40 20.052 13.532 -4.535 1.00 0.00 O ATOM 618 CB SER A 40 20.592 15.137 -2.112 1.00 0.00 C ATOM 619 OG SER A 40 20.934 16.241 -1.280 1.00 0.00 O ATOM 0 H SER A 40 17.727 15.601 -2.430 1.00 0.00 H new ATOM 0 HA SER A 40 20.189 16.243 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.106 14.367 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.500 14.696 -2.522 1.00 0.00 H new ATOM 0 HG SER A 40 21.525 15.937 -0.560 1.00 0.00 H new ATOM 625 N GLN A 41 17.882 14.176 -4.303 1.00 0.00 N ATOM 626 CA GLN A 41 17.280 13.032 -5.007 1.00 0.00 C ATOM 627 C GLN A 41 16.011 13.477 -5.739 1.00 0.00 C ATOM 628 O GLN A 41 15.328 14.415 -5.308 1.00 0.00 O ATOM 629 CB GLN A 41 16.959 11.868 -4.018 1.00 0.00 C ATOM 630 CG GLN A 41 16.165 12.279 -2.743 1.00 0.00 C ATOM 631 CD GLN A 41 14.799 11.610 -2.572 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.136 11.244 -3.542 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.347 11.495 -1.330 1.00 0.00 N ATOM 0 H GLN A 41 17.196 14.859 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 41 18.000 12.661 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.390 11.107 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.897 11.406 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.774 12.051 -1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.021 13.359 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.921 11.808 -0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.425 11.094 -1.158 1.00 0.00 H new ATOM 642 N ARG A 42 15.730 12.807 -6.869 1.00 0.00 N ATOM 643 CA ARG A 42 14.541 13.050 -7.705 1.00 0.00 C ATOM 644 C ARG A 42 13.834 11.706 -7.974 1.00 0.00 C ATOM 645 O ARG A 42 14.240 10.658 -7.451 1.00 0.00 O ATOM 646 CB ARG A 42 14.911 13.764 -9.058 1.00 0.00 C ATOM 647 CG ARG A 42 15.495 15.210 -8.940 1.00 0.00 C ATOM 648 CD ARG A 42 16.999 15.248 -8.602 1.00 0.00 C ATOM 649 NE ARG A 42 17.531 16.623 -8.496 1.00 0.00 N ATOM 650 CZ ARG A 42 18.817 16.979 -8.675 1.00 0.00 C ATOM 651 NH1 ARG A 42 19.748 16.077 -8.982 1.00 0.00 N ATOM 652 NH2 ARG A 42 19.167 18.253 -8.549 1.00 0.00 N ATOM 0 H ARG A 42 16.332 12.069 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 42 13.870 13.720 -7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.636 13.144 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.016 13.806 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.330 15.736 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.945 15.752 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.168 14.725 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.552 14.708 -9.370 1.00 0.00 H new ATOM 0 HE ARG A 42 16.868 17.364 -8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 42 19.492 15.095 -9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 42 20.717 16.368 -9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.464 18.955 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.139 18.530 -8.683 1.00 0.00 H new ATOM 666 N ILE A 43 12.780 11.746 -8.808 1.00 0.00 N ATOM 667 CA ILE A 43 11.920 10.579 -9.082 1.00 0.00 C ATOM 668 C ILE A 43 12.248 10.013 -10.463 1.00 0.00 C ATOM 669 O ILE A 43 11.980 10.644 -11.497 1.00 0.00 O ATOM 670 CB ILE A 43 10.391 10.948 -8.996 1.00 0.00 C ATOM 671 CG1 ILE A 43 10.034 11.488 -7.580 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.487 9.748 -9.380 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.339 10.538 -6.433 1.00 0.00 C ATOM 0 H ILE A 43 12.500 12.588 -9.311 1.00 0.00 H new ATOM 0 HA ILE A 43 12.119 9.826 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 43 10.202 11.739 -9.722 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.577 12.418 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.972 11.731 -7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.440 10.043 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.707 9.439 -10.402 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.677 8.917 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.056 11.004 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.775 9.615 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.405 10.313 -6.421 1.00 0.00 H new ATOM 685 N LEU A 44 12.863 8.832 -10.456 1.00 0.00 N ATOM 686 CA LEU A 44 13.202 8.071 -11.660 1.00 0.00 C ATOM 687 C LEU A 44 12.525 6.697 -11.557 1.00 0.00 C ATOM 688 O LEU A 44 12.276 6.220 -10.455 1.00 0.00 O ATOM 689 CB LEU A 44 14.747 7.966 -11.776 1.00 0.00 C ATOM 690 CG LEU A 44 15.502 9.335 -11.678 1.00 0.00 C ATOM 691 CD1 LEU A 44 17.023 9.142 -11.575 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.131 10.277 -12.849 1.00 0.00 C ATOM 0 H LEU A 44 13.147 8.366 -9.594 1.00 0.00 H new ATOM 0 HA LEU A 44 12.844 8.563 -12.565 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.113 7.307 -10.989 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.996 7.496 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 44 15.173 9.814 -10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.510 10.115 -11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.256 8.558 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.384 8.615 -12.459 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.674 11.216 -12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.398 9.805 -13.794 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.059 10.474 -12.832 1.00 0.00 H new ATOM 704 N VAL A 45 12.203 6.083 -12.700 1.00 0.00 N ATOM 705 CA VAL A 45 11.431 4.812 -12.760 1.00 0.00 C ATOM 706 C VAL A 45 12.105 3.804 -13.709 1.00 0.00 C ATOM 707 O VAL A 45 13.090 4.145 -14.370 1.00 0.00 O ATOM 708 CB VAL A 45 9.937 5.059 -13.205 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.141 5.812 -12.122 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.874 5.816 -14.549 1.00 0.00 C ATOM 0 H VAL A 45 12.465 6.444 -13.617 1.00 0.00 H new ATOM 0 HA VAL A 45 11.419 4.394 -11.753 1.00 0.00 H new ATOM 0 HB VAL A 45 9.475 4.081 -13.341 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.117 5.964 -12.463 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.134 5.227 -11.203 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.608 6.779 -11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.833 5.972 -14.830 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.371 6.781 -14.447 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.374 5.230 -15.320 1.00 0.00 H new ATOM 720 N GLY A 46 11.565 2.561 -13.744 1.00 0.00 N ATOM 721 CA GLY A 46 12.108 1.471 -14.575 1.00 0.00 C ATOM 722 C GLY A 46 12.220 1.823 -16.062 1.00 0.00 C ATOM 723 O GLY A 46 13.269 1.612 -16.684 1.00 0.00 O ATOM 0 H GLY A 46 10.746 2.292 -13.199 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.095 1.198 -14.201 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.472 0.593 -14.466 1.00 0.00 H new ATOM 727 N TYR A 47 11.121 2.366 -16.625 1.00 0.00 N ATOM 728 CA TYR A 47 11.092 2.900 -18.011 1.00 0.00 C ATOM 729 C TYR A 47 11.727 4.316 -18.038 1.00 0.00 C ATOM 730 O TYR A 47 11.783 4.946 -16.982 1.00 0.00 O ATOM 731 CB TYR A 47 9.630 2.905 -18.569 1.00 0.00 C ATOM 732 CG TYR A 47 8.593 3.706 -17.754 1.00 0.00 C ATOM 733 CD1 TYR A 47 7.882 3.111 -16.704 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.315 5.053 -18.037 1.00 0.00 C ATOM 735 CE1 TYR A 47 6.944 3.822 -15.975 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.375 5.766 -17.303 1.00 0.00 C ATOM 737 CZ TYR A 47 6.694 5.144 -16.273 1.00 0.00 C ATOM 738 OH TYR A 47 5.765 5.847 -15.529 1.00 0.00 O ATOM 0 H TYR A 47 10.229 2.449 -16.137 1.00 0.00 H new ATOM 0 HA TYR A 47 11.680 2.253 -18.662 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.652 3.304 -19.583 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.287 1.873 -18.640 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.069 2.076 -16.458 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.842 5.545 -18.841 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.407 3.340 -15.171 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.177 6.802 -17.536 1.00 0.00 H new ATOM 0 HH TYR A 47 5.706 6.766 -15.864 1.00 0.00 H new ATOM 748 N PRO A 48 12.227 4.827 -19.232 1.00 0.00 N ATOM 749 CA PRO A 48 12.834 6.188 -19.357 1.00 0.00 C ATOM 750 C PRO A 48 12.016 7.331 -18.674 1.00 0.00 C ATOM 751 O PRO A 48 10.959 7.726 -19.178 1.00 0.00 O ATOM 752 CB PRO A 48 12.918 6.387 -20.894 1.00 0.00 C ATOM 753 CG PRO A 48 13.126 5.004 -21.426 1.00 0.00 C ATOM 754 CD PRO A 48 12.297 4.093 -20.533 1.00 0.00 C ATOM 0 HA PRO A 48 13.793 6.243 -18.842 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.006 6.834 -21.289 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.741 7.048 -21.167 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.805 4.932 -22.465 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.180 4.727 -21.397 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.304 3.923 -20.949 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.765 3.116 -20.415 1.00 0.00 H new ATOM 762 N PRO A 49 12.477 7.843 -17.480 1.00 0.00 N ATOM 763 CA PRO A 49 11.765 8.900 -16.732 1.00 0.00 C ATOM 764 C PRO A 49 12.076 10.319 -17.258 1.00 0.00 C ATOM 765 O PRO A 49 13.124 10.560 -17.876 1.00 0.00 O ATOM 766 CB PRO A 49 12.281 8.703 -15.293 1.00 0.00 C ATOM 767 CG PRO A 49 13.675 8.168 -15.452 1.00 0.00 C ATOM 768 CD PRO A 49 13.725 7.430 -16.779 1.00 0.00 C ATOM 0 HA PRO A 49 10.682 8.820 -16.825 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.279 9.643 -14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.651 8.007 -14.739 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.403 8.979 -15.436 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.926 7.498 -14.630 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.611 7.702 -17.352 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.760 6.350 -16.632 1.00 0.00 H new ATOM 776 N GLU A 50 11.154 11.255 -16.989 1.00 0.00 N ATOM 777 CA GLU A 50 11.269 12.664 -17.420 1.00 0.00 C ATOM 778 C GLU A 50 12.283 13.457 -16.559 1.00 0.00 C ATOM 779 O GLU A 50 12.804 14.486 -17.015 1.00 0.00 O ATOM 780 CB GLU A 50 9.869 13.339 -17.371 1.00 0.00 C ATOM 781 CG GLU A 50 8.843 12.755 -18.368 1.00 0.00 C ATOM 782 CD GLU A 50 9.226 12.998 -19.844 1.00 0.00 C ATOM 783 OE1 GLU A 50 8.954 14.104 -20.366 1.00 0.00 O ATOM 784 OE2 GLU A 50 9.815 12.095 -20.484 1.00 0.00 O ATOM 0 H GLU A 50 10.302 11.059 -16.464 1.00 0.00 H new ATOM 0 HA GLU A 50 11.645 12.672 -18.443 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.469 13.246 -16.361 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.986 14.404 -17.571 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.747 11.683 -18.196 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.866 13.197 -18.175 1.00 0.00 H new ATOM 791 N CYS A 51 12.540 12.959 -15.321 1.00 0.00 N ATOM 792 CA CYS A 51 13.341 13.659 -14.286 1.00 0.00 C ATOM 793 C CYS A 51 12.591 14.931 -13.846 1.00 0.00 C ATOM 794 O CYS A 51 13.188 15.984 -13.585 1.00 0.00 O ATOM 795 CB CYS A 51 14.782 13.964 -14.772 1.00 0.00 C ATOM 796 SG CYS A 51 15.646 12.517 -15.400 1.00 0.00 S ATOM 0 H CYS A 51 12.193 12.051 -15.012 1.00 0.00 H new ATOM 0 HA CYS A 51 13.457 13.004 -13.423 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.741 14.721 -15.555 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.353 14.389 -13.947 1.00 0.00 H new ATOM 0 HG CYS A 51 16.839 12.858 -15.787 1.00 0.00 H new ATOM 802 N LEU A 52 11.255 14.767 -13.819 1.00 0.00 N ATOM 803 CA LEU A 52 10.256 15.765 -13.406 1.00 0.00 C ATOM 804 C LEU A 52 10.682 16.610 -12.178 1.00 0.00 C ATOM 805 O LEU A 52 11.276 16.090 -11.226 1.00 0.00 O ATOM 806 CB LEU A 52 8.895 15.051 -13.125 1.00 0.00 C ATOM 807 CG LEU A 52 8.887 13.910 -12.036 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.466 13.671 -11.488 1.00 0.00 C ATOM 809 CD2 LEU A 52 9.481 12.582 -12.566 1.00 0.00 C ATOM 0 H LEU A 52 10.823 13.887 -14.100 1.00 0.00 H new ATOM 0 HA LEU A 52 10.157 16.470 -14.231 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.172 15.809 -12.824 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.538 14.625 -14.063 1.00 0.00 H new ATOM 0 HG LEU A 52 9.526 14.257 -11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.493 12.879 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.093 14.588 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.806 13.377 -12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.452 11.830 -11.777 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.896 12.237 -13.419 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.514 12.743 -12.876 1.00 0.00 H new ATOM 821 N ASP A 53 10.352 17.909 -12.220 1.00 0.00 N ATOM 822 CA ASP A 53 10.759 18.881 -11.198 1.00 0.00 C ATOM 823 C ASP A 53 9.762 18.867 -10.023 1.00 0.00 C ATOM 824 O ASP A 53 8.619 19.325 -10.159 1.00 0.00 O ATOM 825 CB ASP A 53 10.849 20.299 -11.828 1.00 0.00 C ATOM 826 CG ASP A 53 11.335 21.362 -10.828 1.00 0.00 C ATOM 827 OD1 ASP A 53 12.560 21.436 -10.580 1.00 0.00 O ATOM 828 OD2 ASP A 53 10.503 22.117 -10.278 1.00 0.00 O ATOM 0 H ASP A 53 9.792 18.316 -12.969 1.00 0.00 H new ATOM 0 HA ASP A 53 11.742 18.608 -10.813 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.527 20.271 -12.681 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.869 20.586 -12.209 1.00 0.00 H new ATOM 833 N LEU A 54 10.193 18.295 -8.891 1.00 0.00 N ATOM 834 CA LEU A 54 9.417 18.278 -7.645 1.00 0.00 C ATOM 835 C LEU A 54 9.686 19.576 -6.855 1.00 0.00 C ATOM 836 O LEU A 54 10.710 19.695 -6.166 1.00 0.00 O ATOM 837 CB LEU A 54 9.757 17.019 -6.788 1.00 0.00 C ATOM 838 CG LEU A 54 9.130 15.658 -7.254 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.798 15.113 -8.534 1.00 0.00 C ATOM 840 CD2 LEU A 54 9.148 14.616 -6.106 1.00 0.00 C ATOM 0 H LEU A 54 11.096 17.828 -8.814 1.00 0.00 H new ATOM 0 HA LEU A 54 8.356 18.225 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.841 16.905 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.436 17.208 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 54 8.089 15.853 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.329 14.170 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.678 15.834 -9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.860 14.949 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.708 13.682 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.177 14.438 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.572 14.995 -5.262 1.00 0.00 H new ATOM 852 N SER A 55 8.782 20.558 -7.016 1.00 0.00 N ATOM 853 CA SER A 55 8.829 21.850 -6.293 1.00 0.00 C ATOM 854 C SER A 55 7.689 21.911 -5.254 1.00 0.00 C ATOM 855 O SER A 55 7.873 22.411 -4.139 1.00 0.00 O ATOM 856 CB SER A 55 8.719 23.025 -7.303 1.00 0.00 C ATOM 857 OG SER A 55 8.825 24.291 -6.671 1.00 0.00 O ATOM 0 H SER A 55 7.991 20.481 -7.655 1.00 0.00 H new ATOM 0 HA SER A 55 9.780 21.936 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.503 22.930 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.766 22.962 -7.828 1.00 0.00 H new ATOM 0 HG SER A 55 8.752 25.000 -7.344 1.00 0.00 H new ATOM 863 N ASP A 56 6.511 21.398 -5.649 1.00 0.00 N ATOM 864 CA ASP A 56 5.314 21.355 -4.787 1.00 0.00 C ATOM 865 C ASP A 56 5.443 20.247 -3.736 1.00 0.00 C ATOM 866 O ASP A 56 5.991 19.199 -4.015 1.00 0.00 O ATOM 867 CB ASP A 56 4.046 21.140 -5.649 1.00 0.00 C ATOM 868 CG ASP A 56 2.725 21.079 -4.850 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.564 21.824 -3.859 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.846 20.278 -5.207 1.00 0.00 O ATOM 0 H ASP A 56 6.360 21.001 -6.576 1.00 0.00 H new ATOM 0 HA ASP A 56 5.227 22.308 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.977 21.948 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.158 20.213 -6.211 1.00 0.00 H new ATOM 875 N ARG A 57 4.902 20.498 -2.539 1.00 0.00 N ATOM 876 CA ARG A 57 4.969 19.567 -1.383 1.00 0.00 C ATOM 877 C ARG A 57 3.645 18.792 -1.235 1.00 0.00 C ATOM 878 O ARG A 57 3.606 17.731 -0.602 1.00 0.00 O ATOM 879 CB ARG A 57 5.313 20.320 -0.052 1.00 0.00 C ATOM 880 CG ARG A 57 4.283 21.393 0.436 1.00 0.00 C ATOM 881 CD ARG A 57 4.331 22.724 -0.358 1.00 0.00 C ATOM 882 NE ARG A 57 5.704 23.268 -0.429 1.00 0.00 N ATOM 883 CZ ARG A 57 6.262 23.863 -1.490 1.00 0.00 C ATOM 884 NH1 ARG A 57 5.562 24.105 -2.598 1.00 0.00 N ATOM 885 NH2 ARG A 57 7.533 24.222 -1.429 1.00 0.00 N ATOM 0 H ARG A 57 4.397 21.360 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 57 5.773 18.858 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.431 19.578 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.279 20.808 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.279 20.976 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.466 21.604 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.952 22.560 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.674 23.454 0.115 1.00 0.00 H new ATOM 0 HE ARG A 57 6.280 23.182 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.580 23.835 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.009 24.560 -3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.073 24.044 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.974 24.677 -2.229 1.00 0.00 H new ATOM 899 N ASP A 58 2.571 19.350 -1.824 1.00 0.00 N ATOM 900 CA ASP A 58 1.213 18.764 -1.809 1.00 0.00 C ATOM 901 C ASP A 58 1.078 17.634 -2.858 1.00 0.00 C ATOM 902 O ASP A 58 0.179 16.783 -2.755 1.00 0.00 O ATOM 903 CB ASP A 58 0.175 19.897 -2.054 1.00 0.00 C ATOM 904 CG ASP A 58 -1.286 19.413 -2.210 1.00 0.00 C ATOM 905 OD1 ASP A 58 -1.844 18.838 -1.245 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.881 19.600 -3.293 1.00 0.00 O ATOM 0 H ASP A 58 2.620 20.233 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 58 1.024 18.310 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.223 20.601 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.460 20.444 -2.953 1.00 0.00 H new ATOM 911 N ILE A 59 1.996 17.637 -3.849 1.00 0.00 N ATOM 912 CA ILE A 59 2.010 16.661 -4.952 1.00 0.00 C ATOM 913 C ILE A 59 2.106 15.205 -4.421 1.00 0.00 C ATOM 914 O ILE A 59 2.981 14.878 -3.614 1.00 0.00 O ATOM 915 CB ILE A 59 3.168 16.982 -5.977 1.00 0.00 C ATOM 916 CG1 ILE A 59 3.012 16.131 -7.283 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.574 16.787 -5.352 1.00 0.00 C ATOM 918 CD1 ILE A 59 4.029 16.453 -8.362 1.00 0.00 C ATOM 0 H ILE A 59 2.750 18.321 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 59 1.063 16.748 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 59 3.079 18.036 -6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.094 15.075 -7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.011 16.285 -7.686 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.338 17.019 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.687 17.451 -4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.687 15.753 -5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.850 15.820 -9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.934 17.500 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.034 16.271 -7.981 1.00 0.00 H new ATOM 930 N THR A 60 1.159 14.364 -4.857 1.00 0.00 N ATOM 931 CA THR A 60 1.011 12.976 -4.392 1.00 0.00 C ATOM 932 C THR A 60 1.477 11.983 -5.462 1.00 0.00 C ATOM 933 O THR A 60 1.782 12.370 -6.591 1.00 0.00 O ATOM 934 CB THR A 60 -0.479 12.676 -4.014 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.344 13.021 -5.110 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.913 13.439 -2.755 1.00 0.00 C ATOM 0 H THR A 60 0.463 14.631 -5.553 1.00 0.00 H new ATOM 0 HA THR A 60 1.637 12.857 -3.507 1.00 0.00 H new ATOM 0 HB THR A 60 -0.556 11.609 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.274 12.829 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.953 13.203 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.282 13.146 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.813 14.511 -2.927 1.00 0.00 H new ATOM 944 N LEU A 61 1.462 10.681 -5.099 1.00 0.00 N ATOM 945 CA LEU A 61 1.873 9.572 -5.991 1.00 0.00 C ATOM 946 C LEU A 61 0.805 9.294 -7.080 1.00 0.00 C ATOM 947 O LEU A 61 0.968 8.387 -7.906 1.00 0.00 O ATOM 948 CB LEU A 61 2.142 8.291 -5.159 1.00 0.00 C ATOM 949 CG LEU A 61 3.001 8.479 -3.869 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.256 7.129 -3.174 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.316 9.241 -4.159 1.00 0.00 C ATOM 0 H LEU A 61 1.163 10.368 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 61 2.792 9.869 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.183 7.860 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.640 7.564 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 61 2.429 9.099 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.857 7.289 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.304 6.677 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.789 6.464 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.884 9.351 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.907 8.683 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.084 10.227 -4.561 1.00 0.00 H new ATOM 963 N GLY A 62 -0.301 10.061 -7.033 1.00 0.00 N ATOM 964 CA GLY A 62 -1.293 10.086 -8.106 1.00 0.00 C ATOM 965 C GLY A 62 -0.762 10.784 -9.352 1.00 0.00 C ATOM 966 O GLY A 62 -1.024 10.339 -10.475 1.00 0.00 O ATOM 0 H GLY A 62 -0.524 10.676 -6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.583 9.066 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.191 10.596 -7.759 1.00 0.00 H new ATOM 970 N ASP A 63 0.001 11.880 -9.147 1.00 0.00 N ATOM 971 CA ASP A 63 0.665 12.612 -10.243 1.00 0.00 C ATOM 972 C ASP A 63 2.079 12.053 -10.454 1.00 0.00 C ATOM 973 O ASP A 63 2.479 11.767 -11.591 1.00 0.00 O ATOM 974 CB ASP A 63 0.717 14.129 -9.943 1.00 0.00 C ATOM 975 CG ASP A 63 1.274 14.951 -11.127 1.00 0.00 C ATOM 976 OD1 ASP A 63 0.500 15.268 -12.059 1.00 0.00 O ATOM 977 OD2 ASP A 63 2.482 15.276 -11.145 1.00 0.00 O ATOM 0 H ASP A 63 0.172 12.278 -8.224 1.00 0.00 H new ATOM 0 HA ASP A 63 0.088 12.474 -11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.285 14.482 -9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.337 14.300 -9.063 1.00 0.00 H new ATOM 982 N LEU A 64 2.823 11.914 -9.339 1.00 0.00 N ATOM 983 CA LEU A 64 4.169 11.312 -9.329 1.00 0.00 C ATOM 984 C LEU A 64 4.111 9.846 -9.853 1.00 0.00 C ATOM 985 O LEU A 64 3.172 9.122 -9.517 1.00 0.00 O ATOM 986 CB LEU A 64 4.770 11.351 -7.890 1.00 0.00 C ATOM 987 CG LEU A 64 5.087 12.758 -7.290 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.548 12.663 -5.809 1.00 0.00 C ATOM 989 CD2 LEU A 64 6.134 13.495 -8.152 1.00 0.00 C ATOM 0 H LEU A 64 2.506 12.217 -8.418 1.00 0.00 H new ATOM 0 HA LEU A 64 4.813 11.891 -9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.075 10.846 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.691 10.769 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 64 4.164 13.337 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.759 13.663 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.759 12.206 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.450 12.054 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.341 14.473 -7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.054 12.911 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.748 13.622 -9.163 1.00 0.00 H new ATOM 1001 N PRO A 65 5.104 9.392 -10.690 1.00 0.00 N ATOM 1002 CA PRO A 65 5.113 8.027 -11.289 1.00 0.00 C ATOM 1003 C PRO A 65 5.599 6.926 -10.307 1.00 0.00 C ATOM 1004 O PRO A 65 6.373 6.053 -10.680 1.00 0.00 O ATOM 1005 CB PRO A 65 6.065 8.191 -12.530 1.00 0.00 C ATOM 1006 CG PRO A 65 6.457 9.646 -12.556 1.00 0.00 C ATOM 1007 CD PRO A 65 6.274 10.159 -11.152 1.00 0.00 C ATOM 0 HA PRO A 65 4.113 7.686 -11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.942 7.551 -12.437 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.558 7.906 -13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.491 9.764 -12.881 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.836 10.203 -13.257 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.152 9.974 -10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.090 11.233 -11.132 1.00 0.00 H new ATOM 1015 N ILE A 66 5.102 6.958 -9.063 1.00 0.00 N ATOM 1016 CA ILE A 66 5.330 5.887 -8.078 1.00 0.00 C ATOM 1017 C ILE A 66 4.139 4.942 -8.205 1.00 0.00 C ATOM 1018 O ILE A 66 2.998 5.379 -8.058 1.00 0.00 O ATOM 1019 CB ILE A 66 5.455 6.393 -6.577 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.749 7.245 -6.324 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.403 5.199 -5.581 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.809 8.585 -7.026 1.00 0.00 C ATOM 0 H ILE A 66 4.531 7.726 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 66 6.287 5.411 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 66 4.599 7.046 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.845 7.414 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.613 6.657 -6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.491 5.572 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.456 4.672 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.226 4.515 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.746 9.084 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.753 8.434 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.972 9.203 -6.702 1.00 0.00 H new ATOM 1034 N GLN A 67 4.402 3.677 -8.549 1.00 0.00 N ATOM 1035 CA GLN A 67 3.357 2.652 -8.695 1.00 0.00 C ATOM 1036 C GLN A 67 3.573 1.543 -7.650 1.00 0.00 C ATOM 1037 O GLN A 67 4.634 1.478 -7.008 1.00 0.00 O ATOM 1038 CB GLN A 67 3.370 2.096 -10.149 1.00 0.00 C ATOM 1039 CG GLN A 67 3.089 3.158 -11.243 1.00 0.00 C ATOM 1040 CD GLN A 67 1.694 3.793 -11.143 1.00 0.00 C ATOM 1041 OE1 GLN A 67 0.719 3.262 -11.670 1.00 0.00 O ATOM 1042 NE2 GLN A 67 1.590 4.940 -10.483 1.00 0.00 N ATOM 0 H GLN A 67 5.344 3.333 -8.735 1.00 0.00 H new ATOM 0 HA GLN A 67 2.374 3.088 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.341 1.641 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.625 1.304 -10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.842 3.944 -11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.198 2.694 -12.223 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.416 5.359 -10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.684 5.403 -10.404 1.00 0.00 H new ATOM 1051 N SER A 68 2.551 0.685 -7.477 1.00 0.00 N ATOM 1052 CA SER A 68 2.563 -0.391 -6.480 1.00 0.00 C ATOM 1053 C SER A 68 3.659 -1.424 -6.801 1.00 0.00 C ATOM 1054 O SER A 68 3.572 -2.142 -7.806 1.00 0.00 O ATOM 1055 CB SER A 68 1.171 -1.061 -6.408 1.00 0.00 C ATOM 1056 OG SER A 68 0.760 -1.575 -7.664 1.00 0.00 O ATOM 0 H SER A 68 1.693 0.722 -8.028 1.00 0.00 H new ATOM 0 HA SER A 68 2.791 0.039 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.196 -1.869 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.438 -0.335 -6.056 1.00 0.00 H new ATOM 0 HG SER A 68 1.549 -1.817 -8.193 1.00 0.00 H new ATOM 1062 N GLY A 69 4.711 -1.445 -5.961 1.00 0.00 N ATOM 1063 CA GLY A 69 5.809 -2.402 -6.097 1.00 0.00 C ATOM 1064 C GLY A 69 6.816 -2.044 -7.184 1.00 0.00 C ATOM 1065 O GLY A 69 7.699 -2.854 -7.497 1.00 0.00 O ATOM 0 H GLY A 69 4.817 -0.801 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.331 -2.477 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.394 -3.387 -6.311 1.00 0.00 H new ATOM 1069 N ASP A 70 6.704 -0.819 -7.730 1.00 0.00 N ATOM 1070 CA ASP A 70 7.512 -0.369 -8.879 1.00 0.00 C ATOM 1071 C ASP A 70 8.944 -0.014 -8.451 1.00 0.00 C ATOM 1072 O ASP A 70 9.212 0.255 -7.271 1.00 0.00 O ATOM 1073 CB ASP A 70 6.826 0.844 -9.568 1.00 0.00 C ATOM 1074 CG ASP A 70 7.507 1.317 -10.874 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.827 0.460 -11.731 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.711 2.536 -11.053 1.00 0.00 O ATOM 0 H ASP A 70 6.051 -0.114 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 70 7.578 -1.190 -9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.791 0.582 -9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.801 1.677 -8.865 1.00 0.00 H new ATOM 1081 N MET A 71 9.836 -0.024 -9.442 1.00 0.00 N ATOM 1082 CA MET A 71 11.246 0.310 -9.279 1.00 0.00 C ATOM 1083 C MET A 71 11.430 1.832 -9.406 1.00 0.00 C ATOM 1084 O MET A 71 11.392 2.390 -10.507 1.00 0.00 O ATOM 1085 CB MET A 71 12.106 -0.444 -10.333 1.00 0.00 C ATOM 1086 CG MET A 71 13.627 -0.173 -10.283 1.00 0.00 C ATOM 1087 SD MET A 71 14.523 -1.075 -8.989 1.00 0.00 S ATOM 1088 CE MET A 71 14.146 -0.142 -7.514 1.00 0.00 C ATOM 0 H MET A 71 9.590 -0.270 -10.401 1.00 0.00 H new ATOM 0 HA MET A 71 11.580 -0.003 -8.290 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.943 -1.514 -10.208 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.742 -0.180 -11.326 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.059 -0.430 -11.250 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.786 0.895 -10.137 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.961 -0.248 -6.798 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.023 0.910 -7.771 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.224 -0.518 -7.071 1.00 0.00 H new ATOM 1098 N LEU A 72 11.580 2.483 -8.250 1.00 0.00 N ATOM 1099 CA LEU A 72 11.843 3.929 -8.140 1.00 0.00 C ATOM 1100 C LEU A 72 13.337 4.142 -7.840 1.00 0.00 C ATOM 1101 O LEU A 72 13.816 3.756 -6.776 1.00 0.00 O ATOM 1102 CB LEU A 72 10.936 4.576 -7.036 1.00 0.00 C ATOM 1103 CG LEU A 72 9.506 5.018 -7.485 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.585 6.146 -8.528 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.655 3.840 -8.000 1.00 0.00 C ATOM 0 H LEU A 72 11.522 2.016 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 72 11.598 4.420 -9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.832 3.863 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.454 5.448 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 72 8.999 5.401 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.578 6.437 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.099 7.005 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.135 5.796 -9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.672 4.204 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.148 3.383 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.543 3.099 -7.209 1.00 0.00 H new ATOM 1117 N ILE A 73 14.064 4.737 -8.800 1.00 0.00 N ATOM 1118 CA ILE A 73 15.505 4.971 -8.692 1.00 0.00 C ATOM 1119 C ILE A 73 15.728 6.332 -8.010 1.00 0.00 C ATOM 1120 O ILE A 73 15.566 7.395 -8.623 1.00 0.00 O ATOM 1121 CB ILE A 73 16.261 4.910 -10.088 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.117 3.505 -10.788 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.764 5.275 -9.918 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.740 3.176 -11.353 1.00 0.00 C ATOM 0 H ILE A 73 13.662 5.069 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 73 15.932 4.165 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 73 15.786 5.647 -10.736 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.843 3.450 -11.599 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.385 2.733 -10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.262 5.227 -10.886 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.850 6.284 -9.516 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.234 4.570 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.761 2.186 -11.810 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.004 3.189 -10.549 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.469 3.917 -12.105 1.00 0.00 H new ATOM 1136 N VAL A 74 16.022 6.264 -6.710 1.00 0.00 N ATOM 1137 CA VAL A 74 16.475 7.411 -5.921 1.00 0.00 C ATOM 1138 C VAL A 74 17.949 7.684 -6.245 1.00 0.00 C ATOM 1139 O VAL A 74 18.841 6.931 -5.833 1.00 0.00 O ATOM 1140 CB VAL A 74 16.278 7.142 -4.381 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.945 8.231 -3.494 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.772 7.006 -4.060 1.00 0.00 C ATOM 0 H VAL A 74 15.951 5.402 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 74 15.880 8.288 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 74 16.781 6.205 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.778 7.996 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.016 8.258 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.509 9.203 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.643 6.820 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.257 7.927 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.353 6.175 -4.627 1.00 0.00 H new ATOM 1152 N GLU A 75 18.187 8.748 -7.009 1.00 0.00 N ATOM 1153 CA GLU A 75 19.542 9.165 -7.379 1.00 0.00 C ATOM 1154 C GLU A 75 20.206 9.860 -6.181 1.00 0.00 C ATOM 1155 O GLU A 75 19.519 10.459 -5.345 1.00 0.00 O ATOM 1156 CB GLU A 75 19.495 10.118 -8.602 1.00 0.00 C ATOM 1157 CG GLU A 75 18.699 11.414 -8.361 1.00 0.00 C ATOM 1158 CD GLU A 75 18.731 12.366 -9.556 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.658 13.200 -9.635 1.00 0.00 O ATOM 1160 OE2 GLU A 75 17.833 12.284 -10.425 1.00 0.00 O ATOM 0 H GLU A 75 17.452 9.344 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 75 20.128 8.288 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.515 10.378 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.056 9.587 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.664 11.161 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.102 11.924 -7.486 1.00 0.00 H new ATOM 1167 N GLU A 76 21.531 9.747 -6.091 1.00 0.00 N ATOM 1168 CA GLU A 76 22.315 10.458 -5.085 1.00 0.00 C ATOM 1169 C GLU A 76 23.147 11.541 -5.783 1.00 0.00 C ATOM 1170 O GLU A 76 24.140 11.240 -6.456 1.00 0.00 O ATOM 1171 CB GLU A 76 23.239 9.497 -4.299 1.00 0.00 C ATOM 1172 CG GLU A 76 24.043 10.202 -3.187 1.00 0.00 C ATOM 1173 CD GLU A 76 25.137 9.327 -2.581 1.00 0.00 C ATOM 1174 OE1 GLU A 76 26.142 9.050 -3.272 1.00 0.00 O ATOM 1175 OE2 GLU A 76 25.009 8.902 -1.422 1.00 0.00 O ATOM 0 H GLU A 76 22.089 9.161 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 76 21.634 10.912 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.636 8.705 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.931 9.020 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.495 11.106 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.360 10.515 -2.398 1.00 0.00 H new ATOM 1182 N ASP A 77 22.715 12.795 -5.633 1.00 0.00 N ATOM 1183 CA ASP A 77 23.466 13.979 -6.092 1.00 0.00 C ATOM 1184 C ASP A 77 24.652 14.285 -5.114 1.00 0.00 C ATOM 1185 O ASP A 77 25.491 15.153 -5.397 1.00 0.00 O ATOM 1186 CB ASP A 77 22.486 15.187 -6.192 1.00 0.00 C ATOM 1187 CG ASP A 77 23.090 16.440 -6.874 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.124 16.488 -8.123 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.507 17.388 -6.171 1.00 0.00 O ATOM 0 H ASP A 77 21.827 13.026 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 77 23.896 13.790 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.600 14.877 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.156 15.457 -5.189 1.00 0.00 H new ATOM 1194 N GLN A 78 24.705 13.510 -3.995 1.00 0.00 N ATOM 1195 CA GLN A 78 25.693 13.623 -2.907 1.00 0.00 C ATOM 1196 C GLN A 78 25.461 14.941 -2.165 1.00 0.00 C ATOM 1197 O GLN A 78 24.651 14.949 -1.245 1.00 0.00 O ATOM 1198 CB GLN A 78 27.173 13.432 -3.400 1.00 0.00 C ATOM 1199 CG GLN A 78 27.455 12.045 -3.987 1.00 0.00 C ATOM 1200 CD GLN A 78 28.899 11.885 -4.458 1.00 0.00 C ATOM 1201 OE1 GLN A 78 29.220 12.182 -5.610 1.00 0.00 O ATOM 1202 NE2 GLN A 78 29.781 11.433 -3.573 1.00 0.00 N ATOM 0 H GLN A 78 24.030 12.763 -3.829 1.00 0.00 H new ATOM 0 HA GLN A 78 25.545 12.802 -2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 78 27.395 14.187 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 78 27.850 13.607 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 78 27.236 11.286 -3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.782 11.867 -4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 78 29.480 11.197 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 78 30.759 11.322 -3.839 1.00 0.00 H new ATOM 1211 N THR A 79 26.087 16.037 -2.678 1.00 0.00 N ATOM 1212 CA THR A 79 26.039 17.436 -2.174 1.00 0.00 C ATOM 1213 C THR A 79 26.046 17.592 -0.621 1.00 0.00 C ATOM 1214 O THR A 79 27.011 18.130 -0.071 1.00 0.00 O ATOM 1215 CB THR A 79 24.899 18.299 -2.864 1.00 0.00 C ATOM 1216 OG1 THR A 79 24.925 19.636 -2.357 1.00 0.00 O ATOM 1217 CG2 THR A 79 23.482 17.734 -2.692 1.00 0.00 C ATOM 0 H THR A 79 26.676 15.960 -3.507 1.00 0.00 H new ATOM 0 HA THR A 79 26.997 17.853 -2.485 1.00 0.00 H new ATOM 0 HB THR A 79 25.120 18.271 -3.931 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.220 20.163 -2.788 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.767 18.386 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 79 23.433 16.736 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.239 17.678 -1.631 1.00 0.00 H new ATOM 1225 N ARG A 80 24.961 17.148 0.049 1.00 0.00 N ATOM 1226 CA ARG A 80 24.778 17.183 1.508 1.00 0.00 C ATOM 1227 C ARG A 80 24.596 18.625 1.997 1.00 0.00 C ATOM 1228 O ARG A 80 25.536 19.243 2.510 1.00 0.00 O ATOM 1229 CB ARG A 80 25.909 16.398 2.254 1.00 0.00 C ATOM 1230 CG ARG A 80 25.876 14.867 2.010 1.00 0.00 C ATOM 1231 CD ARG A 80 24.600 14.218 2.582 1.00 0.00 C ATOM 1232 NE ARG A 80 24.435 12.798 2.220 1.00 0.00 N ATOM 1233 CZ ARG A 80 23.309 12.092 2.418 1.00 0.00 C ATOM 1234 NH1 ARG A 80 22.246 12.670 2.970 1.00 0.00 N ATOM 1235 NH2 ARG A 80 23.245 10.811 2.063 1.00 0.00 N ATOM 0 H ARG A 80 24.160 16.741 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 80 23.856 16.657 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 80 26.877 16.786 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 80 25.825 16.588 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 80 25.935 14.669 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 80 26.752 14.408 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.616 14.306 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 80 23.732 14.775 2.230 1.00 0.00 H new ATOM 0 HE ARG A 80 25.228 12.320 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.284 13.652 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.393 12.132 3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 80 24.054 10.359 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.387 10.282 2.216 1.00 0.00 H new ATOM 1249 N PRO A 81 23.369 19.207 1.780 1.00 0.00 N ATOM 1250 CA PRO A 81 23.015 20.552 2.277 1.00 0.00 C ATOM 1251 C PRO A 81 22.551 20.491 3.756 1.00 0.00 C ATOM 1252 O PRO A 81 22.974 19.602 4.507 1.00 0.00 O ATOM 1253 CB PRO A 81 21.878 20.951 1.299 1.00 0.00 C ATOM 1254 CG PRO A 81 21.155 19.666 1.032 1.00 0.00 C ATOM 1255 CD PRO A 81 22.226 18.594 1.018 1.00 0.00 C ATOM 0 HA PRO A 81 23.835 21.270 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 81 21.216 21.696 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 81 22.276 21.382 0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.411 19.467 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 81 20.625 19.704 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 81 21.878 17.676 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 81 22.518 18.336 0.000 1.00 0.00 H new ATOM 1263 N LYS A 82 21.703 21.450 4.174 1.00 0.00 N ATOM 1264 CA LYS A 82 21.078 21.440 5.517 1.00 0.00 C ATOM 1265 C LYS A 82 20.197 20.175 5.719 1.00 0.00 C ATOM 1266 O LYS A 82 20.099 19.654 6.839 1.00 0.00 O ATOM 1267 CB LYS A 82 20.213 22.717 5.701 1.00 0.00 C ATOM 1268 CG LYS A 82 21.014 24.041 5.697 1.00 0.00 C ATOM 1269 CD LYS A 82 20.107 25.297 5.762 1.00 0.00 C ATOM 1270 CE LYS A 82 19.181 25.300 6.991 1.00 0.00 C ATOM 1271 NZ LYS A 82 19.939 25.223 8.261 1.00 0.00 N ATOM 0 H LYS A 82 21.432 22.248 3.599 1.00 0.00 H new ATOM 0 HA LYS A 82 21.873 21.423 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.469 22.755 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.669 22.639 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.697 24.049 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.625 24.087 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.732 26.190 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.502 25.350 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.575 26.206 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.493 24.457 6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.283 25.313 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.431 24.308 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.636 25.994 8.296 1.00 0.00 H new ATOM 1285 N ALA A 83 19.569 19.726 4.605 1.00 0.00 N ATOM 1286 CA ALA A 83 18.693 18.537 4.533 1.00 0.00 C ATOM 1287 C ALA A 83 17.370 18.770 5.283 1.00 0.00 C ATOM 1288 O ALA A 83 16.313 18.939 4.665 1.00 0.00 O ATOM 1289 CB ALA A 83 19.411 17.261 5.008 1.00 0.00 C ATOM 0 H ALA A 83 19.663 20.198 3.706 1.00 0.00 H new ATOM 0 HA ALA A 83 18.446 18.380 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 83 18.730 16.413 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.283 17.079 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 83 19.729 17.386 6.043 1.00 0.00 H new ATOM 1295 N SER A 84 17.454 18.776 6.618 1.00 0.00 N ATOM 1296 CA SER A 84 16.341 19.094 7.509 1.00 0.00 C ATOM 1297 C SER A 84 16.368 20.611 7.820 1.00 0.00 C ATOM 1298 O SER A 84 17.327 21.097 8.434 1.00 0.00 O ATOM 1299 CB SER A 84 16.462 18.253 8.807 1.00 0.00 C ATOM 1300 OG SER A 84 16.464 16.856 8.520 1.00 0.00 O ATOM 0 H SER A 84 18.316 18.555 7.116 1.00 0.00 H new ATOM 0 HA SER A 84 15.390 18.850 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.379 18.520 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.633 18.488 9.474 1.00 0.00 H new ATOM 0 HG SER A 84 16.543 16.350 9.356 1.00 0.00 H new ATOM 1306 N PRO A 85 15.345 21.401 7.356 1.00 0.00 N ATOM 1307 CA PRO A 85 15.206 22.829 7.730 1.00 0.00 C ATOM 1308 C PRO A 85 14.560 23.005 9.131 1.00 0.00 C ATOM 1309 O PRO A 85 14.505 24.121 9.661 1.00 0.00 O ATOM 1310 CB PRO A 85 14.294 23.380 6.612 1.00 0.00 C ATOM 1311 CG PRO A 85 13.403 22.223 6.260 1.00 0.00 C ATOM 1312 CD PRO A 85 14.258 20.976 6.422 1.00 0.00 C ATOM 0 HA PRO A 85 16.163 23.346 7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 85 13.716 24.238 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 85 14.875 23.712 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 85 12.532 22.187 6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.031 22.312 5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 85 13.681 20.147 6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 85 14.661 20.642 5.466 1.00 0.00 H new ATOM 1320 N SER A 86 14.076 21.882 9.700 1.00 0.00 N ATOM 1321 CA SER A 86 13.443 21.826 11.022 1.00 0.00 C ATOM 1322 C SER A 86 14.506 21.985 12.143 1.00 0.00 C ATOM 1323 O SER A 86 14.419 22.947 12.933 1.00 0.00 O ATOM 1324 CB SER A 86 12.673 20.486 11.145 1.00 0.00 C ATOM 1325 OG SER A 86 13.506 19.381 10.821 1.00 0.00 O ATOM 1326 OXT SER A 86 15.454 21.167 12.192 1.00 0.00 O ATOM 0 H SER A 86 14.118 20.973 9.239 1.00 0.00 H new ATOM 0 HA SER A 86 12.738 22.650 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.294 20.373 12.161 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.808 20.499 10.482 1.00 0.00 H new ATOM 0 HG SER A 86 14.417 19.554 11.138 1.00 0.00 H new TER 1332 SER A 86