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= -0.617 K(o=-1.7,f=-3.8!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.13 K(o=-1.7,f=-5.1) USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.111 K(o=0.11,f=-1.1) USER MOD Set 2.2: A 34 THR OG1 : rot 102:sc= 0.221 USER MOD Single : A 1 TRP N :NH3+ -131:sc= 1.11 (180deg=-0.311) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.768 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00221 (180deg=-0.0948) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0.596 (180deg=0.426) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0481 F(o=-2.5!,f=-0.048) 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 -120:sc= 0.57 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.342 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0.00782 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= 0.413 X(o=0.41,f=0) USER MOD Single : A 68 SER OG : rot 43:sc= 0.158 USER MOD Single : A 71 MET CE :methyl -141:sc= -2.03 (180deg=-4.69!) USER MOD Single : A 78 GLN : amide:sc= 0.184 X(o=0.18,f=-0.19) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 143:sc= -0.465 (180deg=-3.55!) USER MOD Single : A 84 SER OG : rot 37:sc= 0.287 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.674 0.201 -0.127 1.00 0.00 N ATOM 2 CA TRP A 1 2.417 0.187 -1.398 1.00 0.00 C ATOM 3 C TRP A 1 3.880 -0.179 -1.123 1.00 0.00 C ATOM 4 O TRP A 1 4.641 0.644 -0.598 1.00 0.00 O ATOM 5 CB TRP A 1 2.327 1.569 -2.120 1.00 0.00 C ATOM 6 CG TRP A 1 0.980 1.910 -2.711 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.253 1.580 -2.227 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.742 2.681 -3.904 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.231 2.066 -3.052 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.649 2.751 -4.083 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.575 3.310 -4.836 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.229 3.419 -5.153 1.00 0.00 C ATOM 13 CZ3 TRP A 1 0.998 3.980 -5.898 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.393 4.029 -6.051 1.00 0.00 C ATOM 0 H1 TRP A 1 0.799 -0.352 -0.230 1.00 0.00 H new ATOM 0 H2 TRP A 1 2.261 -0.217 0.623 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.436 1.182 0.125 1.00 0.00 H new ATOM 0 HA TRP A 1 1.972 -0.558 -2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.600 2.349 -1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.070 1.591 -2.917 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.431 1.016 -1.323 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.234 1.938 -2.919 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.649 3.273 -4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.302 3.457 -5.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.630 4.474 -6.621 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.815 4.558 -6.893 1.00 0.00 H new ATOM 27 N ARG A 2 4.253 -1.430 -1.445 1.00 0.00 N ATOM 28 CA ARG A 2 5.644 -1.911 -1.353 1.00 0.00 C ATOM 29 C ARG A 2 6.440 -1.419 -2.575 1.00 0.00 C ATOM 30 O ARG A 2 6.805 -2.202 -3.453 1.00 0.00 O ATOM 31 CB ARG A 2 5.678 -3.469 -1.253 1.00 0.00 C ATOM 32 CG ARG A 2 5.116 -4.042 0.064 1.00 0.00 C ATOM 33 CD ARG A 2 5.061 -5.578 0.080 1.00 0.00 C ATOM 34 NE ARG A 2 4.617 -6.093 1.395 1.00 0.00 N ATOM 35 CZ ARG A 2 3.366 -6.467 1.707 1.00 0.00 C ATOM 36 NH1 ARG A 2 2.392 -6.415 0.810 1.00 0.00 N ATOM 37 NH2 ARG A 2 3.100 -6.912 2.924 1.00 0.00 N ATOM 0 H ARG A 2 3.598 -2.138 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 2 6.105 -1.510 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.111 -3.886 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.709 -3.805 -1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.732 -3.698 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.113 -3.647 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.380 -5.927 -0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.046 -5.981 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 2 5.323 -6.170 2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.587 -6.087 -0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.448 -6.703 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.844 -6.970 3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.151 -7.197 3.167 1.00 0.00 H new ATOM 51 N VAL A 3 6.691 -0.104 -2.625 1.00 0.00 N ATOM 52 CA VAL A 3 7.379 0.546 -3.752 1.00 0.00 C ATOM 53 C VAL A 3 8.900 0.428 -3.580 1.00 0.00 C ATOM 54 O VAL A 3 9.437 0.746 -2.517 1.00 0.00 O ATOM 55 CB VAL A 3 6.952 2.050 -3.866 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.709 2.781 -4.995 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.416 2.165 -4.046 1.00 0.00 C ATOM 0 H VAL A 3 6.422 0.542 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 3 7.092 0.041 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 3 7.226 2.545 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.382 3.820 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.780 2.745 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.500 2.295 -5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.136 3.216 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.116 1.642 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.915 1.719 -3.187 1.00 0.00 H new ATOM 67 N ARG A 4 9.575 -0.034 -4.637 1.00 0.00 N ATOM 68 CA ARG A 4 11.031 -0.236 -4.641 1.00 0.00 C ATOM 69 C ARG A 4 11.721 1.065 -5.083 1.00 0.00 C ATOM 70 O ARG A 4 11.231 1.747 -5.986 1.00 0.00 O ATOM 71 CB ARG A 4 11.386 -1.397 -5.599 1.00 0.00 C ATOM 72 CG ARG A 4 10.680 -2.729 -5.261 1.00 0.00 C ATOM 73 CD ARG A 4 10.995 -3.834 -6.274 1.00 0.00 C ATOM 74 NE ARG A 4 10.295 -5.089 -5.952 1.00 0.00 N ATOM 75 CZ ARG A 4 10.309 -6.198 -6.702 1.00 0.00 C ATOM 76 NH1 ARG A 4 10.980 -6.239 -7.848 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.660 -7.273 -6.295 1.00 0.00 N ATOM 0 H ARG A 4 9.126 -0.280 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 4 11.377 -0.494 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.125 -1.107 -6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.464 -1.554 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.984 -3.055 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.603 -2.567 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.708 -3.504 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.070 -4.013 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 4 9.755 -5.116 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.494 -5.418 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.981 -7.091 -8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.150 -7.257 -5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.668 -8.120 -6.864 1.00 0.00 H new ATOM 91 N CYS A 5 12.857 1.396 -4.453 1.00 0.00 N ATOM 92 CA CYS A 5 13.607 2.632 -4.733 1.00 0.00 C ATOM 93 C CYS A 5 15.122 2.349 -4.767 1.00 0.00 C ATOM 94 O CYS A 5 15.764 2.212 -3.720 1.00 0.00 O ATOM 95 CB CYS A 5 13.251 3.712 -3.688 1.00 0.00 C ATOM 96 SG CYS A 5 11.505 4.193 -3.718 1.00 0.00 S ATOM 0 H CYS A 5 13.284 0.814 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 5 13.324 3.009 -5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.501 3.342 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 5 13.866 4.594 -3.864 1.00 0.00 H new ATOM 0 HG CYS A 5 11.289 5.100 -2.812 1.00 0.00 H new ATOM 102 N LYS A 6 15.670 2.249 -5.992 1.00 0.00 N ATOM 103 CA LYS A 6 17.084 1.929 -6.236 1.00 0.00 C ATOM 104 C LYS A 6 17.963 3.148 -5.882 1.00 0.00 C ATOM 105 O LYS A 6 17.886 4.180 -6.556 1.00 0.00 O ATOM 106 CB LYS A 6 17.285 1.564 -7.736 1.00 0.00 C ATOM 107 CG LYS A 6 18.707 1.049 -8.095 1.00 0.00 C ATOM 108 CD LYS A 6 18.992 -0.376 -7.539 1.00 0.00 C ATOM 109 CE LYS A 6 18.107 -1.457 -8.191 1.00 0.00 C ATOM 110 NZ LYS A 6 18.365 -1.587 -9.638 1.00 0.00 N ATOM 0 H LYS A 6 15.135 2.390 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 6 17.373 1.082 -5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.557 0.801 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.068 2.444 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.822 1.041 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.450 1.743 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.041 -0.623 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.829 -0.380 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.287 -2.415 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.057 -1.211 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.865 -2.421 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.026 -0.735 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.386 -1.696 -9.800 1.00 0.00 H new ATOM 124 N ALA A 7 18.776 3.017 -4.826 1.00 0.00 N ATOM 125 CA ALA A 7 19.667 4.088 -4.352 1.00 0.00 C ATOM 126 C ALA A 7 20.981 3.492 -3.827 1.00 0.00 C ATOM 127 O ALA A 7 20.966 2.630 -2.941 1.00 0.00 O ATOM 128 CB ALA A 7 18.973 4.922 -3.267 1.00 0.00 C ATOM 0 H ALA A 7 18.836 2.162 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 7 19.899 4.747 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.646 5.710 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.067 5.370 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.712 4.280 -2.426 1.00 0.00 H new ATOM 134 N LYS A 8 22.100 3.957 -4.408 1.00 0.00 N ATOM 135 CA LYS A 8 23.475 3.629 -3.983 1.00 0.00 C ATOM 136 C LYS A 8 23.753 2.108 -3.970 1.00 0.00 C ATOM 137 O LYS A 8 24.131 1.535 -2.939 1.00 0.00 O ATOM 138 CB LYS A 8 23.817 4.302 -2.614 1.00 0.00 C ATOM 139 CG LYS A 8 23.547 5.833 -2.549 1.00 0.00 C ATOM 140 CD LYS A 8 24.166 6.630 -3.735 1.00 0.00 C ATOM 141 CE LYS A 8 25.694 6.472 -3.857 1.00 0.00 C ATOM 142 NZ LYS A 8 26.416 6.954 -2.656 1.00 0.00 N ATOM 0 H LYS A 8 22.074 4.589 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 8 24.146 4.046 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.238 3.813 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.869 4.124 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.470 6.002 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 8 23.946 6.224 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.700 6.302 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.927 7.687 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.935 5.422 -4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.043 7.022 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.433 6.763 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.265 7.977 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.057 6.460 -1.814 1.00 0.00 H new ATOM 156 N GLY A 9 23.542 1.470 -5.133 1.00 0.00 N ATOM 157 CA GLY A 9 23.873 0.055 -5.341 1.00 0.00 C ATOM 158 C GLY A 9 23.007 -0.920 -4.544 1.00 0.00 C ATOM 159 O GLY A 9 23.455 -2.029 -4.221 1.00 0.00 O ATOM 0 H GLY A 9 23.138 1.922 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 9 23.776 -0.176 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 9 24.918 -0.104 -5.074 1.00 0.00 H new ATOM 163 N GLY A 10 21.772 -0.501 -4.216 1.00 0.00 N ATOM 164 CA GLY A 10 20.843 -1.321 -3.434 1.00 0.00 C ATOM 165 C GLY A 10 19.399 -0.914 -3.677 1.00 0.00 C ATOM 166 O GLY A 10 19.122 0.270 -3.872 1.00 0.00 O ATOM 0 H GLY A 10 21.396 0.408 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.975 -2.371 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.076 -1.225 -2.373 1.00 0.00 H new ATOM 170 N THR A 11 18.481 -1.892 -3.685 1.00 0.00 N ATOM 171 CA THR A 11 17.044 -1.657 -3.914 1.00 0.00 C ATOM 172 C THR A 11 16.338 -1.492 -2.552 1.00 0.00 C ATOM 173 O THR A 11 16.092 -2.479 -1.850 1.00 0.00 O ATOM 174 CB THR A 11 16.399 -2.843 -4.714 1.00 0.00 C ATOM 175 OG1 THR A 11 17.279 -3.265 -5.767 1.00 0.00 O ATOM 176 CG2 THR A 11 15.037 -2.450 -5.320 1.00 0.00 C ATOM 0 H THR A 11 18.714 -2.873 -3.532 1.00 0.00 H new ATOM 0 HA THR A 11 16.925 -0.750 -4.507 1.00 0.00 H new ATOM 0 HB THR A 11 16.239 -3.660 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.868 -4.006 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.623 -3.298 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.353 -2.164 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.171 -1.610 -6.002 1.00 0.00 H new ATOM 184 N HIS A 12 16.041 -0.239 -2.183 1.00 0.00 N ATOM 185 CA HIS A 12 15.467 0.115 -0.872 1.00 0.00 C ATOM 186 C HIS A 12 13.943 0.073 -0.951 1.00 0.00 C ATOM 187 O HIS A 12 13.337 0.858 -1.686 1.00 0.00 O ATOM 188 CB HIS A 12 15.946 1.520 -0.427 1.00 0.00 C ATOM 189 CG HIS A 12 17.436 1.629 -0.274 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.092 1.415 0.919 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.400 1.920 -1.178 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.389 1.586 0.744 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.596 1.885 -0.518 1.00 0.00 N ATOM 0 H HIS A 12 16.193 0.567 -2.790 1.00 0.00 H new ATOM 0 HA HIS A 12 15.807 -0.609 -0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.610 2.257 -1.156 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.473 1.772 0.522 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.252 2.139 -2.225 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.149 1.496 1.506 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.507 2.063 -0.940 1.00 0.00 H new ATOM 202 N LEU A 13 13.332 -0.851 -0.202 1.00 0.00 N ATOM 203 CA LEU A 13 11.887 -1.074 -0.241 1.00 0.00 C ATOM 204 C LEU A 13 11.164 -0.097 0.703 1.00 0.00 C ATOM 205 O LEU A 13 11.210 -0.252 1.924 1.00 0.00 O ATOM 206 CB LEU A 13 11.562 -2.547 0.121 1.00 0.00 C ATOM 207 CG LEU A 13 10.061 -2.955 0.001 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.513 -2.628 -1.405 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.856 -4.451 0.345 1.00 0.00 C ATOM 0 H LEU A 13 13.826 -1.463 0.447 1.00 0.00 H new ATOM 0 HA LEU A 13 11.529 -0.886 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.150 -3.199 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.890 -2.732 1.144 1.00 0.00 H new ATOM 0 HG LEU A 13 9.497 -2.370 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.465 -2.921 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.601 -1.557 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.086 -3.174 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.800 -4.704 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.438 -5.065 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.185 -4.638 1.367 1.00 0.00 H new ATOM 221 N LEU A 14 10.539 0.922 0.106 1.00 0.00 N ATOM 222 CA LEU A 14 9.734 1.926 0.823 1.00 0.00 C ATOM 223 C LEU A 14 8.409 1.319 1.324 1.00 0.00 C ATOM 224 O LEU A 14 7.662 0.689 0.559 1.00 0.00 O ATOM 225 CB LEU A 14 9.473 3.171 -0.086 1.00 0.00 C ATOM 226 CG LEU A 14 10.535 4.314 -0.027 1.00 0.00 C ATOM 227 CD1 LEU A 14 10.423 5.084 1.302 1.00 0.00 C ATOM 228 CD2 LEU A 14 11.973 3.783 -0.245 1.00 0.00 C ATOM 0 H LEU A 14 10.576 1.078 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 14 10.298 2.254 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.397 2.829 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.504 3.592 0.183 1.00 0.00 H new ATOM 0 HG LEU A 14 10.325 5.002 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.170 5.877 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.428 5.520 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.592 4.400 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.678 4.612 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.214 3.055 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.041 3.307 -1.223 1.00 0.00 H new ATOM 240 N GLN A 15 8.160 1.509 2.628 1.00 0.00 N ATOM 241 CA GLN A 15 6.936 1.064 3.326 1.00 0.00 C ATOM 242 C GLN A 15 6.118 2.280 3.784 1.00 0.00 C ATOM 243 O GLN A 15 6.541 3.427 3.592 1.00 0.00 O ATOM 244 CB GLN A 15 7.323 0.176 4.545 1.00 0.00 C ATOM 245 CG GLN A 15 8.054 -1.129 4.181 1.00 0.00 C ATOM 246 CD GLN A 15 7.202 -2.064 3.320 1.00 0.00 C ATOM 247 OE1 GLN A 15 7.316 -1.957 2.002 1.00 0.00 O flip ATOM 248 NE2 GLN A 15 6.445 -2.883 3.840 1.00 0.00 N flip ATOM 0 H GLN A 15 8.817 1.987 3.245 1.00 0.00 H new ATOM 0 HA GLN A 15 6.324 0.476 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.957 0.757 5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.418 -0.072 5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.974 -0.889 3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.342 -1.646 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.378 -2.942 4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.884 -3.502 3.255 1.00 0.00 H new ATOM 257 N GLY A 16 4.931 2.012 4.368 1.00 0.00 N ATOM 258 CA GLY A 16 4.044 3.055 4.911 1.00 0.00 C ATOM 259 C GLY A 16 3.322 3.884 3.849 1.00 0.00 C ATOM 260 O GLY A 16 2.584 4.820 4.183 1.00 0.00 O ATOM 0 H GLY A 16 4.564 1.066 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.301 2.584 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.632 3.724 5.539 1.00 0.00 H new ATOM 264 N LEU A 17 3.522 3.522 2.568 1.00 0.00 N ATOM 265 CA LEU A 17 2.990 4.261 1.419 1.00 0.00 C ATOM 266 C LEU A 17 1.547 3.839 1.112 1.00 0.00 C ATOM 267 O LEU A 17 1.236 2.650 1.012 1.00 0.00 O ATOM 268 CB LEU A 17 3.877 4.035 0.164 1.00 0.00 C ATOM 269 CG LEU A 17 5.370 4.464 0.288 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.132 4.210 -1.029 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.482 5.942 0.713 1.00 0.00 C ATOM 0 H LEU A 17 4.064 2.699 2.304 1.00 0.00 H new ATOM 0 HA LEU A 17 2.997 5.320 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.845 2.976 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.433 4.577 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 17 5.832 3.853 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.171 4.519 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.094 3.148 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.670 4.783 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.533 6.219 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.996 6.573 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.996 6.081 1.679 1.00 0.00 H new ATOM 283 N SER A 18 0.688 4.838 0.990 1.00 0.00 N ATOM 284 CA SER A 18 -0.676 4.703 0.467 1.00 0.00 C ATOM 285 C SER A 18 -0.728 5.354 -0.925 1.00 0.00 C ATOM 286 O SER A 18 0.295 5.809 -1.427 1.00 0.00 O ATOM 287 CB SER A 18 -1.662 5.395 1.432 1.00 0.00 C ATOM 288 OG SER A 18 -1.491 4.918 2.756 1.00 0.00 O ATOM 0 H SER A 18 0.920 5.795 1.257 1.00 0.00 H new ATOM 0 HA SER A 18 -0.956 3.653 0.384 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.506 6.473 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.686 5.213 1.105 1.00 0.00 H new ATOM 0 HG SER A 18 -2.124 5.371 3.351 1.00 0.00 H new ATOM 294 N SER A 19 -1.915 5.397 -1.545 1.00 0.00 N ATOM 295 CA SER A 19 -2.132 6.157 -2.793 1.00 0.00 C ATOM 296 C SER A 19 -1.985 7.673 -2.541 1.00 0.00 C ATOM 297 O SER A 19 -1.566 8.428 -3.424 1.00 0.00 O ATOM 298 CB SER A 19 -3.533 5.841 -3.351 1.00 0.00 C ATOM 299 OG SER A 19 -4.529 6.107 -2.375 1.00 0.00 O ATOM 0 H SER A 19 -2.746 4.913 -1.204 1.00 0.00 H new ATOM 0 HA SER A 19 -1.378 5.861 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.720 6.440 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.583 4.795 -3.654 1.00 0.00 H new ATOM 0 HG SER A 19 -5.413 5.903 -2.746 1.00 0.00 H new ATOM 305 N ARG A 20 -2.314 8.086 -1.297 1.00 0.00 N ATOM 306 CA ARG A 20 -2.404 9.500 -0.899 1.00 0.00 C ATOM 307 C ARG A 20 -1.138 9.995 -0.167 1.00 0.00 C ATOM 308 O ARG A 20 -1.192 11.002 0.555 1.00 0.00 O ATOM 309 CB ARG A 20 -3.670 9.714 -0.022 1.00 0.00 C ATOM 310 CG ARG A 20 -5.006 9.281 -0.676 1.00 0.00 C ATOM 311 CD ARG A 20 -5.232 9.927 -2.054 1.00 0.00 C ATOM 312 NE ARG A 20 -5.183 11.401 -2.006 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.513 12.212 -3.018 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.985 11.731 -4.160 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.390 13.513 -2.875 1.00 0.00 N ATOM 0 H ARG A 20 -2.525 7.438 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.483 10.095 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.544 9.162 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.737 10.770 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.019 8.196 -0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.831 9.546 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.475 9.565 -2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.200 9.612 -2.444 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.874 11.834 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.103 10.725 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.230 12.367 -4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.045 13.899 -1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.640 14.136 -3.643 1.00 0.00 H new ATOM 329 N THR A 21 0.006 9.327 -0.394 1.00 0.00 N ATOM 330 CA THR A 21 1.294 9.767 0.164 1.00 0.00 C ATOM 331 C THR A 21 1.864 10.902 -0.706 1.00 0.00 C ATOM 332 O THR A 21 1.908 10.804 -1.933 1.00 0.00 O ATOM 333 CB THR A 21 2.310 8.589 0.269 1.00 0.00 C ATOM 334 OG1 THR A 21 1.763 7.561 1.103 1.00 0.00 O ATOM 335 CG2 THR A 21 3.660 9.039 0.849 1.00 0.00 C ATOM 0 H THR A 21 0.064 8.481 -0.960 1.00 0.00 H new ATOM 0 HA THR A 21 1.125 10.133 1.177 1.00 0.00 H new ATOM 0 HB THR A 21 2.485 8.215 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.353 7.416 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.335 8.185 0.903 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.095 9.805 0.207 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.509 9.446 1.849 1.00 0.00 H new ATOM 343 N ARG A 22 2.265 11.991 -0.052 1.00 0.00 N ATOM 344 CA ARG A 22 2.726 13.216 -0.715 1.00 0.00 C ATOM 345 C ARG A 22 4.256 13.260 -0.750 1.00 0.00 C ATOM 346 O ARG A 22 4.904 12.364 -0.219 1.00 0.00 O ATOM 347 CB ARG A 22 2.135 14.435 0.031 1.00 0.00 C ATOM 348 CG ARG A 22 0.590 14.432 0.048 1.00 0.00 C ATOM 349 CD ARG A 22 0.005 15.495 0.978 1.00 0.00 C ATOM 350 NE ARG A 22 0.400 15.269 2.381 1.00 0.00 N ATOM 351 CZ ARG A 22 0.317 16.170 3.363 1.00 0.00 C ATOM 352 NH1 ARG A 22 -0.142 17.397 3.125 1.00 0.00 N ATOM 353 NH2 ARG A 22 0.684 15.831 4.588 1.00 0.00 N ATOM 0 H ARG A 22 2.280 12.051 0.966 1.00 0.00 H new ATOM 0 HA ARG A 22 2.382 13.236 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.506 14.443 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.487 15.351 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.220 14.598 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.237 13.449 0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.341 16.482 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.082 15.488 0.900 1.00 0.00 H new ATOM 0 HE ARG A 22 0.767 14.348 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.435 17.658 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.200 18.076 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.027 14.889 4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.624 16.512 5.345 1.00 0.00 H new ATOM 367 N LEU A 23 4.798 14.324 -1.381 1.00 0.00 N ATOM 368 CA LEU A 23 6.261 14.570 -1.551 1.00 0.00 C ATOM 369 C LEU A 23 7.004 14.386 -0.213 1.00 0.00 C ATOM 370 O LEU A 23 7.898 13.538 -0.099 1.00 0.00 O ATOM 371 CB LEU A 23 6.474 16.026 -2.108 1.00 0.00 C ATOM 372 CG LEU A 23 7.916 16.471 -2.605 1.00 0.00 C ATOM 373 CD1 LEU A 23 7.840 17.847 -3.289 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.005 16.521 -1.491 1.00 0.00 C ATOM 0 H LEU A 23 4.224 15.057 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 23 6.669 13.848 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.785 16.160 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.169 16.722 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 23 8.226 15.695 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.834 18.142 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.169 17.791 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.463 18.585 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.955 16.834 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.705 17.232 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.118 15.532 -1.048 1.00 0.00 H new ATOM 386 N ARG A 24 6.602 15.197 0.786 1.00 0.00 N ATOM 387 CA ARG A 24 7.279 15.279 2.101 1.00 0.00 C ATOM 388 C ARG A 24 7.256 13.936 2.867 1.00 0.00 C ATOM 389 O ARG A 24 8.145 13.659 3.675 1.00 0.00 O ATOM 390 CB ARG A 24 6.635 16.405 2.954 1.00 0.00 C ATOM 391 CG ARG A 24 5.132 16.198 3.259 1.00 0.00 C ATOM 392 CD ARG A 24 4.566 17.243 4.241 1.00 0.00 C ATOM 393 NE ARG A 24 4.537 18.602 3.667 1.00 0.00 N ATOM 394 CZ ARG A 24 5.367 19.609 3.986 1.00 0.00 C ATOM 395 NH1 ARG A 24 6.438 19.405 4.734 1.00 0.00 N ATOM 396 NH2 ARG A 24 5.143 20.816 3.512 1.00 0.00 N ATOM 0 H ARG A 24 5.796 15.817 0.706 1.00 0.00 H new ATOM 0 HA ARG A 24 8.327 15.514 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.177 16.484 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.760 17.355 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.569 16.241 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.985 15.201 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.556 16.954 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.170 17.248 5.148 1.00 0.00 H new ATOM 0 HE ARG A 24 3.823 18.794 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.647 18.469 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.055 20.184 4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.341 20.985 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.771 21.583 3.752 1.00 0.00 H new ATOM 410 N GLU A 25 6.240 13.110 2.582 1.00 0.00 N ATOM 411 CA GLU A 25 6.015 11.818 3.255 1.00 0.00 C ATOM 412 C GLU A 25 6.719 10.675 2.482 1.00 0.00 C ATOM 413 O GLU A 25 7.141 9.687 3.078 1.00 0.00 O ATOM 414 CB GLU A 25 4.481 11.577 3.354 1.00 0.00 C ATOM 415 CG GLU A 25 3.710 12.732 4.045 1.00 0.00 C ATOM 416 CD GLU A 25 2.177 12.601 3.966 1.00 0.00 C ATOM 417 OE1 GLU A 25 1.657 12.387 2.855 1.00 0.00 O ATOM 418 OE2 GLU A 25 1.482 12.775 4.992 1.00 0.00 O ATOM 0 H GLU A 25 5.541 13.321 1.869 1.00 0.00 H new ATOM 0 HA GLU A 25 6.441 11.836 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.080 11.434 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.302 10.653 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.007 12.776 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.007 13.677 3.589 1.00 0.00 H new ATOM 425 N LEU A 26 6.842 10.833 1.150 1.00 0.00 N ATOM 426 CA LEU A 26 7.471 9.836 0.260 1.00 0.00 C ATOM 427 C LEU A 26 8.999 9.972 0.349 1.00 0.00 C ATOM 428 O LEU A 26 9.682 9.098 0.905 1.00 0.00 O ATOM 429 CB LEU A 26 6.917 10.028 -1.200 1.00 0.00 C ATOM 430 CG LEU A 26 7.411 9.060 -2.352 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.676 9.576 -3.064 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.604 7.613 -1.851 1.00 0.00 C ATOM 0 H LEU A 26 6.506 11.661 0.658 1.00 0.00 H new ATOM 0 HA LEU A 26 7.223 8.820 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.831 9.950 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.150 11.048 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 26 6.613 9.049 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.968 8.872 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.470 10.548 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.486 9.673 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.943 6.985 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.348 7.600 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.657 7.231 -1.469 1.00 0.00 H new ATOM 444 N GLN A 27 9.511 11.116 -0.150 1.00 0.00 N ATOM 445 CA GLN A 27 10.954 11.412 -0.173 1.00 0.00 C ATOM 446 C GLN A 27 11.516 11.629 1.246 1.00 0.00 C ATOM 447 O GLN A 27 12.736 11.582 1.443 1.00 0.00 O ATOM 448 CB GLN A 27 11.267 12.635 -1.082 1.00 0.00 C ATOM 449 CG GLN A 27 10.842 12.466 -2.554 1.00 0.00 C ATOM 450 CD GLN A 27 11.393 13.561 -3.475 1.00 0.00 C ATOM 451 OE1 GLN A 27 10.784 14.615 -3.637 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.549 13.319 -4.086 1.00 0.00 N ATOM 0 H GLN A 27 8.935 11.858 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 27 11.451 10.539 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.768 13.513 -0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.338 12.832 -1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.181 11.494 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.754 12.466 -2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.032 12.434 -3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.953 14.019 -4.709 1.00 0.00 H new ATOM 461 N GLY A 28 10.613 11.858 2.220 1.00 0.00 N ATOM 462 CA GLY A 28 10.982 11.950 3.637 1.00 0.00 C ATOM 463 C GLY A 28 11.344 10.586 4.222 1.00 0.00 C ATOM 464 O GLY A 28 12.307 10.468 4.991 1.00 0.00 O ATOM 0 H GLY A 28 9.616 11.983 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.828 12.629 3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.153 12.378 4.201 1.00 0.00 H new ATOM 468 N GLN A 29 10.584 9.545 3.821 1.00 0.00 N ATOM 469 CA GLN A 29 10.835 8.149 4.247 1.00 0.00 C ATOM 470 C GLN A 29 12.065 7.587 3.527 1.00 0.00 C ATOM 471 O GLN A 29 12.822 6.821 4.109 1.00 0.00 O ATOM 472 CB GLN A 29 9.596 7.253 3.986 1.00 0.00 C ATOM 473 CG GLN A 29 8.420 7.490 4.956 1.00 0.00 C ATOM 474 CD GLN A 29 7.209 6.585 4.699 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.980 6.213 3.449 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 6.470 6.232 5.619 1.00 0.00 N flip ATOM 0 H GLN A 29 9.784 9.646 3.197 1.00 0.00 H new ATOM 0 HA GLN A 29 11.027 8.151 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.249 7.422 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.899 6.208 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.767 7.334 5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.105 8.531 4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.666 6.531 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.662 5.641 5.426 1.00 0.00 H new ATOM 485 N ILE A 30 12.248 7.980 2.252 1.00 0.00 N ATOM 486 CA ILE A 30 13.460 7.656 1.467 1.00 0.00 C ATOM 487 C ILE A 30 14.714 8.227 2.181 1.00 0.00 C ATOM 488 O ILE A 30 15.735 7.546 2.333 1.00 0.00 O ATOM 489 CB ILE A 30 13.345 8.255 0.012 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.170 7.591 -0.782 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.677 8.152 -0.768 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.898 8.190 -2.151 1.00 0.00 C ATOM 0 H ILE A 30 11.562 8.531 1.735 1.00 0.00 H new ATOM 0 HA ILE A 30 13.554 6.573 1.390 1.00 0.00 H new ATOM 0 HB ILE A 30 13.121 9.316 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.388 6.530 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.262 7.663 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.549 8.577 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.454 8.701 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.968 7.105 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.068 7.663 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.643 9.244 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.787 8.094 -2.774 1.00 0.00 H new ATOM 504 N ALA A 31 14.580 9.478 2.647 1.00 0.00 N ATOM 505 CA ALA A 31 15.616 10.188 3.421 1.00 0.00 C ATOM 506 C ALA A 31 15.900 9.493 4.770 1.00 0.00 C ATOM 507 O ALA A 31 16.981 9.649 5.335 1.00 0.00 O ATOM 508 CB ALA A 31 15.194 11.652 3.628 1.00 0.00 C ATOM 0 H ALA A 31 13.739 10.034 2.496 1.00 0.00 H new ATOM 0 HA ALA A 31 16.546 10.164 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.961 12.174 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.071 12.136 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.250 11.685 4.172 1.00 0.00 H new ATOM 514 N ALA A 32 14.903 8.747 5.276 1.00 0.00 N ATOM 515 CA ALA A 32 15.014 7.979 6.527 1.00 0.00 C ATOM 516 C ALA A 32 15.617 6.570 6.288 1.00 0.00 C ATOM 517 O ALA A 32 16.259 6.018 7.189 1.00 0.00 O ATOM 518 CB ALA A 32 13.634 7.876 7.205 1.00 0.00 C ATOM 0 H ALA A 32 13.992 8.660 4.825 1.00 0.00 H new ATOM 0 HA ALA A 32 15.697 8.511 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.725 7.306 8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.263 8.876 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.936 7.373 6.536 1.00 0.00 H new ATOM 524 N ILE A 33 15.406 5.986 5.082 1.00 0.00 N ATOM 525 CA ILE A 33 15.920 4.632 4.751 1.00 0.00 C ATOM 526 C ILE A 33 17.339 4.709 4.150 1.00 0.00 C ATOM 527 O ILE A 33 18.312 4.311 4.790 1.00 0.00 O ATOM 528 CB ILE A 33 14.962 3.867 3.748 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.528 3.729 4.356 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.535 2.472 3.360 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.528 2.982 3.490 1.00 0.00 C ATOM 0 H ILE A 33 14.886 6.429 4.325 1.00 0.00 H new ATOM 0 HA ILE A 33 15.956 4.073 5.686 1.00 0.00 H new ATOM 0 HB ILE A 33 14.896 4.459 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.605 3.219 5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.138 4.727 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.851 1.977 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.506 2.598 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.650 1.864 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.565 2.940 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.413 3.500 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.888 1.969 3.310 1.00 0.00 H new ATOM 543 N THR A 34 17.443 5.240 2.916 1.00 0.00 N ATOM 544 CA THR A 34 18.713 5.284 2.158 1.00 0.00 C ATOM 545 C THR A 34 19.520 6.563 2.472 1.00 0.00 C ATOM 546 O THR A 34 20.653 6.726 2.002 1.00 0.00 O ATOM 547 CB THR A 34 18.444 5.138 0.623 1.00 0.00 C ATOM 548 OG1 THR A 34 19.676 5.092 -0.123 1.00 0.00 O ATOM 549 CG2 THR A 34 17.539 6.247 0.074 1.00 0.00 C ATOM 0 H THR A 34 16.654 5.649 2.417 1.00 0.00 H new ATOM 0 HA THR A 34 19.322 4.438 2.476 1.00 0.00 H new ATOM 0 HB THR A 34 17.918 4.192 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.875 4.164 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.386 6.096 -0.995 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.577 6.218 0.586 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.010 7.216 0.240 1.00 0.00 H new ATOM 557 N GLY A 35 18.920 7.468 3.265 1.00 0.00 N ATOM 558 CA GLY A 35 19.618 8.648 3.771 1.00 0.00 C ATOM 559 C GLY A 35 19.767 9.770 2.756 1.00 0.00 C ATOM 560 O GLY A 35 20.447 10.760 3.043 1.00 0.00 O ATOM 0 H GLY A 35 17.948 7.398 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.081 9.029 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.609 8.350 4.114 1.00 0.00 H new ATOM 564 N ILE A 36 19.140 9.633 1.565 1.00 0.00 N ATOM 565 CA ILE A 36 19.183 10.687 0.541 1.00 0.00 C ATOM 566 C ILE A 36 18.108 11.730 0.881 1.00 0.00 C ATOM 567 O ILE A 36 16.913 11.435 0.748 1.00 0.00 O ATOM 568 CB ILE A 36 18.945 10.157 -0.933 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.712 8.818 -1.229 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.335 11.249 -1.960 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.210 8.840 -0.989 1.00 0.00 C ATOM 0 H ILE A 36 18.604 8.808 1.296 1.00 0.00 H new ATOM 0 HA ILE A 36 20.187 11.112 0.555 1.00 0.00 H new ATOM 0 HB ILE A 36 17.882 9.933 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.277 8.030 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.535 8.544 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.168 10.875 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.725 12.137 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.388 11.505 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.631 7.863 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.669 9.597 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.408 9.076 0.057 1.00 0.00 H new ATOM 583 N ALA A 37 18.540 12.923 1.352 1.00 0.00 N ATOM 584 CA ALA A 37 17.632 14.042 1.690 1.00 0.00 C ATOM 585 C ALA A 37 16.743 14.405 0.477 1.00 0.00 C ATOM 586 O ALA A 37 17.222 14.306 -0.654 1.00 0.00 O ATOM 587 CB ALA A 37 18.453 15.256 2.170 1.00 0.00 C ATOM 0 H ALA A 37 19.525 13.136 1.508 1.00 0.00 H new ATOM 0 HA ALA A 37 16.972 13.735 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.779 16.076 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.028 14.980 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.133 15.571 1.379 1.00 0.00 H new ATOM 593 N PRO A 38 15.446 14.830 0.694 1.00 0.00 N ATOM 594 CA PRO A 38 14.445 15.016 -0.401 1.00 0.00 C ATOM 595 C PRO A 38 14.932 15.950 -1.536 1.00 0.00 C ATOM 596 O PRO A 38 14.591 15.743 -2.705 1.00 0.00 O ATOM 597 CB PRO A 38 13.197 15.593 0.332 1.00 0.00 C ATOM 598 CG PRO A 38 13.722 16.106 1.641 1.00 0.00 C ATOM 599 CD PRO A 38 14.847 15.174 2.016 1.00 0.00 C ATOM 0 HA PRO A 38 14.243 14.079 -0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.732 16.391 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.438 14.826 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.077 17.132 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.943 16.107 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.570 15.657 2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.482 14.289 2.537 1.00 0.00 H new ATOM 607 N GLY A 39 15.764 16.947 -1.176 1.00 0.00 N ATOM 608 CA GLY A 39 16.333 17.894 -2.146 1.00 0.00 C ATOM 609 C GLY A 39 17.696 17.457 -2.703 1.00 0.00 C ATOM 610 O GLY A 39 18.492 18.298 -3.115 1.00 0.00 O ATOM 0 H GLY A 39 16.056 17.115 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.634 18.018 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.440 18.869 -1.670 1.00 0.00 H new ATOM 614 N SER A 40 17.972 16.142 -2.686 1.00 0.00 N ATOM 615 CA SER A 40 19.176 15.526 -3.302 1.00 0.00 C ATOM 616 C SER A 40 18.764 14.309 -4.154 1.00 0.00 C ATOM 617 O SER A 40 19.615 13.606 -4.704 1.00 0.00 O ATOM 618 CB SER A 40 20.191 15.111 -2.205 1.00 0.00 C ATOM 619 OG SER A 40 20.656 16.238 -1.479 1.00 0.00 O ATOM 0 H SER A 40 17.360 15.460 -2.239 1.00 0.00 H new ATOM 0 HA SER A 40 19.658 16.258 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.722 14.404 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.036 14.598 -2.664 1.00 0.00 H new ATOM 0 HG SER A 40 21.293 15.946 -0.794 1.00 0.00 H new ATOM 625 N GLN A 41 17.443 14.096 -4.263 1.00 0.00 N ATOM 626 CA GLN A 41 16.838 12.996 -5.024 1.00 0.00 C ATOM 627 C GLN A 41 15.640 13.526 -5.816 1.00 0.00 C ATOM 628 O GLN A 41 14.964 14.477 -5.396 1.00 0.00 O ATOM 629 CB GLN A 41 16.376 11.846 -4.079 1.00 0.00 C ATOM 630 CG GLN A 41 15.741 12.327 -2.745 1.00 0.00 C ATOM 631 CD GLN A 41 14.665 11.421 -2.174 1.00 0.00 C ATOM 632 OE1 GLN A 41 13.950 10.737 -2.904 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.512 11.435 -0.859 1.00 0.00 N ATOM 0 H GLN A 41 16.753 14.698 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 41 17.587 12.594 -5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.653 11.226 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.233 11.213 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.532 12.435 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.313 13.317 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.122 12.013 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.785 10.867 -0.424 1.00 0.00 H new ATOM 642 N ARG A 42 15.398 12.893 -6.966 1.00 0.00 N ATOM 643 CA ARG A 42 14.232 13.146 -7.823 1.00 0.00 C ATOM 644 C ARG A 42 13.441 11.832 -7.950 1.00 0.00 C ATOM 645 O ARG A 42 13.678 10.882 -7.184 1.00 0.00 O ATOM 646 CB ARG A 42 14.699 13.673 -9.210 1.00 0.00 C ATOM 647 CG ARG A 42 15.656 14.885 -9.140 1.00 0.00 C ATOM 648 CD ARG A 42 16.124 15.360 -10.525 1.00 0.00 C ATOM 649 NE ARG A 42 17.301 16.245 -10.441 1.00 0.00 N ATOM 650 CZ ARG A 42 17.771 16.994 -11.448 1.00 0.00 C ATOM 651 NH1 ARG A 42 17.139 17.042 -12.606 1.00 0.00 N ATOM 652 NH2 ARG A 42 18.888 17.689 -11.300 1.00 0.00 N ATOM 0 H ARG A 42 16.019 12.174 -7.338 1.00 0.00 H new ATOM 0 HA ARG A 42 13.587 13.910 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.195 12.863 -9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.822 13.951 -9.794 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.155 15.708 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.526 14.620 -8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.365 14.494 -11.142 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.309 15.888 -11.021 1.00 0.00 H new ATOM 0 HE ARG A 42 17.794 16.290 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.282 16.505 -12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 42 17.507 17.616 -13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.396 17.656 -10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.241 18.257 -12.070 1.00 0.00 H new ATOM 666 N ILE A 43 12.504 11.772 -8.914 1.00 0.00 N ATOM 667 CA ILE A 43 11.646 10.595 -9.121 1.00 0.00 C ATOM 668 C ILE A 43 11.819 10.112 -10.563 1.00 0.00 C ATOM 669 O ILE A 43 11.359 10.761 -11.518 1.00 0.00 O ATOM 670 CB ILE A 43 10.129 10.897 -8.806 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.925 11.252 -7.296 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.215 9.724 -9.226 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.337 10.173 -6.305 1.00 0.00 C ATOM 0 H ILE A 43 12.322 12.534 -9.567 1.00 0.00 H new ATOM 0 HA ILE A 43 11.952 9.814 -8.425 1.00 0.00 H new ATOM 0 HB ILE A 43 9.842 11.766 -9.399 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.489 12.158 -7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.872 11.485 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.179 9.969 -8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.315 9.550 -10.297 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.506 8.824 -8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.154 10.523 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.755 9.269 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.398 9.953 -6.427 1.00 0.00 H new ATOM 685 N LEU A 44 12.542 8.995 -10.706 1.00 0.00 N ATOM 686 CA LEU A 44 12.784 8.338 -11.998 1.00 0.00 C ATOM 687 C LEU A 44 12.248 6.905 -11.939 1.00 0.00 C ATOM 688 O LEU A 44 11.851 6.440 -10.875 1.00 0.00 O ATOM 689 CB LEU A 44 14.300 8.367 -12.361 1.00 0.00 C ATOM 690 CG LEU A 44 14.976 9.794 -12.366 1.00 0.00 C ATOM 691 CD1 LEU A 44 15.495 10.200 -10.962 1.00 0.00 C ATOM 692 CD2 LEU A 44 16.090 9.898 -13.426 1.00 0.00 C ATOM 0 H LEU A 44 12.981 8.516 -9.920 1.00 0.00 H new ATOM 0 HA LEU A 44 12.258 8.878 -12.785 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.836 7.734 -11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.427 7.922 -13.348 1.00 0.00 H new ATOM 0 HG LEU A 44 14.197 10.505 -12.639 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.952 11.188 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.663 10.222 -10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.236 9.475 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.529 10.895 -13.396 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.861 9.156 -13.218 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.669 9.716 -14.415 1.00 0.00 H new ATOM 704 N VAL A 45 12.248 6.222 -13.081 1.00 0.00 N ATOM 705 CA VAL A 45 11.672 4.870 -13.235 1.00 0.00 C ATOM 706 C VAL A 45 12.580 4.015 -14.129 1.00 0.00 C ATOM 707 O VAL A 45 13.435 4.556 -14.839 1.00 0.00 O ATOM 708 CB VAL A 45 10.208 4.923 -13.827 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.171 5.289 -12.740 1.00 0.00 C ATOM 710 CG2 VAL A 45 10.128 5.911 -15.024 1.00 0.00 C ATOM 0 H VAL A 45 12.651 6.589 -13.943 1.00 0.00 H new ATOM 0 HA VAL A 45 11.608 4.416 -12.246 1.00 0.00 H new ATOM 0 HB VAL A 45 9.965 3.925 -14.193 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.175 5.317 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.196 4.541 -11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.410 6.267 -12.324 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.110 5.929 -15.413 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.407 6.910 -14.690 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.811 5.587 -15.809 1.00 0.00 H new ATOM 720 N GLY A 46 12.388 2.679 -14.051 1.00 0.00 N ATOM 721 CA GLY A 46 13.209 1.698 -14.772 1.00 0.00 C ATOM 722 C GLY A 46 13.193 1.891 -16.285 1.00 0.00 C ATOM 723 O GLY A 46 14.247 1.900 -16.932 1.00 0.00 O ATOM 0 H GLY A 46 11.655 2.256 -13.482 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.237 1.763 -14.416 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.853 0.695 -14.537 1.00 0.00 H new ATOM 727 N TYR A 47 11.978 2.054 -16.836 1.00 0.00 N ATOM 728 CA TYR A 47 11.772 2.440 -18.249 1.00 0.00 C ATOM 729 C TYR A 47 12.148 3.937 -18.441 1.00 0.00 C ATOM 730 O TYR A 47 12.116 4.669 -17.449 1.00 0.00 O ATOM 731 CB TYR A 47 10.299 2.164 -18.687 1.00 0.00 C ATOM 732 CG TYR A 47 9.203 2.881 -17.863 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.676 2.302 -16.704 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.694 4.129 -18.253 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.696 2.935 -15.969 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.710 4.762 -17.517 1.00 0.00 C ATOM 737 CZ TYR A 47 7.216 4.162 -16.378 1.00 0.00 C ATOM 738 OH TYR A 47 6.236 4.792 -15.645 1.00 0.00 O ATOM 0 H TYR A 47 11.109 1.923 -16.318 1.00 0.00 H new ATOM 0 HA TYR A 47 12.420 1.836 -18.884 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.190 2.456 -19.732 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.120 1.090 -18.636 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.044 1.340 -16.378 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.078 4.603 -19.144 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.305 2.471 -15.075 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.330 5.722 -17.833 1.00 0.00 H new ATOM 0 HH TYR A 47 6.010 5.647 -16.068 1.00 0.00 H new ATOM 748 N PRO A 48 12.532 4.392 -19.705 1.00 0.00 N ATOM 749 CA PRO A 48 12.927 5.801 -20.023 1.00 0.00 C ATOM 750 C PRO A 48 12.174 6.892 -19.201 1.00 0.00 C ATOM 751 O PRO A 48 11.007 7.199 -19.486 1.00 0.00 O ATOM 752 CB PRO A 48 12.596 5.892 -21.530 1.00 0.00 C ATOM 753 CG PRO A 48 12.933 4.527 -22.061 1.00 0.00 C ATOM 754 CD PRO A 48 12.638 3.546 -20.929 1.00 0.00 C ATOM 0 HA PRO A 48 13.968 5.999 -19.768 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.546 6.136 -21.694 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.184 6.667 -22.021 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.337 4.294 -22.943 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.980 4.473 -22.360 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.713 2.998 -21.112 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.432 2.806 -20.830 1.00 0.00 H new ATOM 762 N PRO A 49 12.823 7.457 -18.129 1.00 0.00 N ATOM 763 CA PRO A 49 12.172 8.419 -17.221 1.00 0.00 C ATOM 764 C PRO A 49 12.145 9.851 -17.768 1.00 0.00 C ATOM 765 O PRO A 49 12.952 10.232 -18.623 1.00 0.00 O ATOM 766 CB PRO A 49 13.038 8.345 -15.944 1.00 0.00 C ATOM 767 CG PRO A 49 14.413 8.012 -16.441 1.00 0.00 C ATOM 768 CD PRO A 49 14.228 7.184 -17.707 1.00 0.00 C ATOM 0 HA PRO A 49 11.122 8.170 -17.065 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.030 9.292 -15.404 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.669 7.583 -15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.980 8.919 -16.650 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.972 7.453 -15.690 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.939 7.476 -18.480 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.386 6.123 -17.514 1.00 0.00 H new ATOM 776 N GLU A 50 11.213 10.627 -17.223 1.00 0.00 N ATOM 777 CA GLU A 50 11.123 12.064 -17.415 1.00 0.00 C ATOM 778 C GLU A 50 11.708 12.695 -16.162 1.00 0.00 C ATOM 779 O GLU A 50 11.031 12.779 -15.147 1.00 0.00 O ATOM 780 CB GLU A 50 9.650 12.503 -17.643 1.00 0.00 C ATOM 781 CG GLU A 50 9.000 11.879 -18.890 1.00 0.00 C ATOM 782 CD GLU A 50 9.708 12.282 -20.199 1.00 0.00 C ATOM 783 OE1 GLU A 50 9.502 13.424 -20.673 1.00 0.00 O ATOM 784 OE2 GLU A 50 10.485 11.469 -20.753 1.00 0.00 O ATOM 0 H GLU A 50 10.479 10.259 -16.618 1.00 0.00 H new ATOM 0 HA GLU A 50 11.671 12.383 -18.301 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.061 12.235 -16.766 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.614 13.589 -17.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.012 10.793 -18.795 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.954 12.183 -18.940 1.00 0.00 H new ATOM 791 N CYS A 51 13.027 12.938 -16.210 1.00 0.00 N ATOM 792 CA CYS A 51 13.785 13.680 -15.175 1.00 0.00 C ATOM 793 C CYS A 51 13.073 15.003 -14.786 1.00 0.00 C ATOM 794 O CYS A 51 13.300 16.055 -15.389 1.00 0.00 O ATOM 795 CB CYS A 51 15.218 13.956 -15.682 1.00 0.00 C ATOM 796 SG CYS A 51 16.178 12.461 -16.014 1.00 0.00 S ATOM 0 H CYS A 51 13.613 12.621 -16.982 1.00 0.00 H new ATOM 0 HA CYS A 51 13.834 13.065 -14.276 1.00 0.00 H new ATOM 0 HB2 CYS A 51 15.162 14.550 -16.594 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.745 14.558 -14.942 1.00 0.00 H new ATOM 0 HG CYS A 51 17.363 12.791 -16.436 1.00 0.00 H new ATOM 802 N LEU A 52 12.144 14.887 -13.829 1.00 0.00 N ATOM 803 CA LEU A 52 11.343 16.010 -13.295 1.00 0.00 C ATOM 804 C LEU A 52 11.906 16.530 -11.962 1.00 0.00 C ATOM 805 O LEU A 52 12.753 15.885 -11.332 1.00 0.00 O ATOM 806 CB LEU A 52 9.835 15.570 -13.141 1.00 0.00 C ATOM 807 CG LEU A 52 9.552 14.085 -12.675 1.00 0.00 C ATOM 808 CD1 LEU A 52 10.014 13.797 -11.233 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.064 13.707 -12.872 1.00 0.00 C ATOM 0 H LEU A 52 11.919 13.994 -13.391 1.00 0.00 H new ATOM 0 HA LEU A 52 11.399 16.834 -14.006 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.359 16.243 -12.428 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.341 15.722 -14.101 1.00 0.00 H new ATOM 0 HG LEU A 52 10.158 13.448 -13.320 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.789 12.761 -10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.088 13.965 -11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.492 14.461 -10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.903 12.681 -12.542 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.437 14.379 -12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.803 13.795 -13.927 1.00 0.00 H new ATOM 821 N ASP A 53 11.407 17.698 -11.543 1.00 0.00 N ATOM 822 CA ASP A 53 11.644 18.250 -10.204 1.00 0.00 C ATOM 823 C ASP A 53 10.311 18.200 -9.448 1.00 0.00 C ATOM 824 O ASP A 53 9.237 18.352 -10.055 1.00 0.00 O ATOM 825 CB ASP A 53 12.182 19.708 -10.291 1.00 0.00 C ATOM 826 CG ASP A 53 11.155 20.710 -10.845 1.00 0.00 C ATOM 827 OD1 ASP A 53 10.928 20.731 -12.081 1.00 0.00 O ATOM 828 OD2 ASP A 53 10.560 21.476 -10.050 1.00 0.00 O ATOM 0 H ASP A 53 10.821 18.293 -12.129 1.00 0.00 H new ATOM 0 HA ASP A 53 12.401 17.667 -9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.494 20.031 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.069 19.722 -10.924 1.00 0.00 H new ATOM 833 N LEU A 54 10.371 17.941 -8.145 1.00 0.00 N ATOM 834 CA LEU A 54 9.192 17.945 -7.271 1.00 0.00 C ATOM 835 C LEU A 54 9.202 19.240 -6.447 1.00 0.00 C ATOM 836 O LEU A 54 9.861 19.314 -5.402 1.00 0.00 O ATOM 837 CB LEU A 54 9.172 16.690 -6.350 1.00 0.00 C ATOM 838 CG LEU A 54 8.998 15.296 -7.041 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.281 14.842 -7.778 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.515 14.245 -6.015 1.00 0.00 C ATOM 0 H LEU A 54 11.240 17.721 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 54 8.286 17.905 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.103 16.672 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.363 16.813 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 54 8.231 15.397 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.110 13.870 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.536 15.571 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.102 14.765 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.398 13.281 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.248 14.155 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.558 14.557 -5.598 1.00 0.00 H new ATOM 852 N SER A 55 8.514 20.274 -6.956 1.00 0.00 N ATOM 853 CA SER A 55 8.464 21.600 -6.319 1.00 0.00 C ATOM 854 C SER A 55 7.357 21.638 -5.260 1.00 0.00 C ATOM 855 O SER A 55 7.586 22.063 -4.125 1.00 0.00 O ATOM 856 CB SER A 55 8.233 22.693 -7.394 1.00 0.00 C ATOM 857 OG SER A 55 8.231 23.998 -6.830 1.00 0.00 O ATOM 0 H SER A 55 7.977 20.215 -7.821 1.00 0.00 H new ATOM 0 HA SER A 55 9.416 21.794 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.013 22.627 -8.153 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.283 22.513 -7.897 1.00 0.00 H new ATOM 0 HG SER A 55 8.084 24.660 -7.538 1.00 0.00 H new ATOM 863 N ASP A 56 6.163 21.155 -5.637 1.00 0.00 N ATOM 864 CA ASP A 56 4.965 21.232 -4.789 1.00 0.00 C ATOM 865 C ASP A 56 5.069 20.229 -3.625 1.00 0.00 C ATOM 866 O ASP A 56 4.973 19.037 -3.832 1.00 0.00 O ATOM 867 CB ASP A 56 3.697 20.965 -5.643 1.00 0.00 C ATOM 868 CG ASP A 56 2.383 21.306 -4.913 1.00 0.00 C ATOM 869 OD1 ASP A 56 1.914 20.500 -4.089 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.816 22.390 -5.167 1.00 0.00 O ATOM 0 H ASP A 56 6.002 20.701 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 56 4.890 22.233 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.756 21.550 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.679 19.915 -5.935 1.00 0.00 H new ATOM 875 N ARG A 57 5.296 20.740 -2.418 1.00 0.00 N ATOM 876 CA ARG A 57 5.435 19.931 -1.175 1.00 0.00 C ATOM 877 C ARG A 57 4.221 18.992 -0.887 1.00 0.00 C ATOM 878 O ARG A 57 4.373 17.975 -0.185 1.00 0.00 O ATOM 879 CB ARG A 57 5.708 20.858 0.049 1.00 0.00 C ATOM 880 CG ARG A 57 4.599 21.894 0.413 1.00 0.00 C ATOM 881 CD ARG A 57 4.505 23.090 -0.564 1.00 0.00 C ATOM 882 NE ARG A 57 3.579 24.131 -0.092 1.00 0.00 N ATOM 883 CZ ARG A 57 3.257 25.254 -0.758 1.00 0.00 C ATOM 884 NH1 ARG A 57 3.688 25.479 -1.994 1.00 0.00 N ATOM 885 NH2 ARG A 57 2.486 26.157 -0.174 1.00 0.00 N ATOM 0 H ARG A 57 5.393 21.742 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 57 6.288 19.273 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.881 20.227 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.633 21.403 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.636 21.384 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.787 22.273 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.496 23.524 -0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.178 22.733 -1.540 1.00 0.00 H new ATOM 0 HE ARG A 57 3.143 23.989 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.279 24.791 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.428 26.340 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.142 25.998 0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.236 27.012 -0.671 1.00 0.00 H new ATOM 899 N ASP A 58 3.037 19.343 -1.419 1.00 0.00 N ATOM 900 CA ASP A 58 1.773 18.594 -1.197 1.00 0.00 C ATOM 901 C ASP A 58 1.488 17.567 -2.333 1.00 0.00 C ATOM 902 O ASP A 58 0.551 16.766 -2.227 1.00 0.00 O ATOM 903 CB ASP A 58 0.614 19.629 -1.061 1.00 0.00 C ATOM 904 CG ASP A 58 -0.754 19.022 -0.687 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.951 18.663 0.494 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.633 18.892 -1.570 1.00 0.00 O ATOM 0 H ASP A 58 2.922 20.159 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 58 1.860 18.007 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.889 20.364 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.512 20.166 -2.004 1.00 0.00 H new ATOM 911 N ILE A 59 2.307 17.585 -3.415 1.00 0.00 N ATOM 912 CA ILE A 59 2.079 16.739 -4.620 1.00 0.00 C ATOM 913 C ILE A 59 2.177 15.237 -4.273 1.00 0.00 C ATOM 914 O ILE A 59 3.066 14.816 -3.528 1.00 0.00 O ATOM 915 CB ILE A 59 3.065 17.119 -5.800 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.529 16.586 -7.163 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.525 16.616 -5.556 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.332 17.031 -8.371 1.00 0.00 C ATOM 0 H ILE A 59 3.135 18.178 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 59 1.066 16.938 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 59 3.104 18.208 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.515 15.497 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.497 16.915 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.155 16.905 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.915 17.061 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.524 15.530 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.889 16.615 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.325 18.119 -8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.359 16.679 -8.275 1.00 0.00 H new ATOM 930 N THR A 60 1.248 14.442 -4.810 1.00 0.00 N ATOM 931 CA THR A 60 0.983 13.085 -4.345 1.00 0.00 C ATOM 932 C THR A 60 1.447 12.023 -5.383 1.00 0.00 C ATOM 933 O THR A 60 1.762 12.367 -6.524 1.00 0.00 O ATOM 934 CB THR A 60 -0.550 13.002 -4.055 1.00 0.00 C ATOM 935 OG1 THR A 60 -0.964 14.156 -3.289 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.915 11.772 -3.262 1.00 0.00 C ATOM 0 H THR A 60 0.654 14.729 -5.588 1.00 0.00 H new ATOM 0 HA THR A 60 1.550 12.865 -3.440 1.00 0.00 H new ATOM 0 HB THR A 60 -1.053 12.962 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.926 14.102 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.991 11.759 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.628 10.881 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.391 11.786 -2.307 1.00 0.00 H new ATOM 944 N LEU A 61 1.485 10.730 -4.962 1.00 0.00 N ATOM 945 CA LEU A 61 1.923 9.581 -5.804 1.00 0.00 C ATOM 946 C LEU A 61 1.069 9.409 -7.074 1.00 0.00 C ATOM 947 O LEU A 61 1.530 8.820 -8.051 1.00 0.00 O ATOM 948 CB LEU A 61 1.887 8.254 -4.995 1.00 0.00 C ATOM 949 CG LEU A 61 2.651 8.250 -3.636 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.688 6.838 -3.018 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.068 8.860 -3.758 1.00 0.00 C ATOM 0 H LEU A 61 1.210 10.453 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 61 2.944 9.809 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.845 8.000 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.298 7.461 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 61 2.094 8.893 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.228 6.869 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.670 6.490 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.193 6.155 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.560 8.835 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.652 8.283 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.992 9.892 -4.099 1.00 0.00 H new ATOM 963 N GLY A 62 -0.191 9.892 -7.023 1.00 0.00 N ATOM 964 CA GLY A 62 -1.096 9.876 -8.185 1.00 0.00 C ATOM 965 C GLY A 62 -0.604 10.757 -9.334 1.00 0.00 C ATOM 966 O GLY A 62 -0.885 10.473 -10.505 1.00 0.00 O ATOM 0 H GLY A 62 -0.603 10.299 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.205 8.851 -8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.085 10.212 -7.874 1.00 0.00 H new ATOM 970 N ASP A 63 0.136 11.828 -8.986 1.00 0.00 N ATOM 971 CA ASP A 63 0.734 12.763 -9.961 1.00 0.00 C ATOM 972 C ASP A 63 2.068 12.202 -10.471 1.00 0.00 C ATOM 973 O ASP A 63 2.342 12.216 -11.669 1.00 0.00 O ATOM 974 CB ASP A 63 0.979 14.147 -9.307 1.00 0.00 C ATOM 975 CG ASP A 63 -0.277 14.733 -8.641 1.00 0.00 C ATOM 976 OD1 ASP A 63 -1.074 15.402 -9.332 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.473 14.517 -7.422 1.00 0.00 O ATOM 0 H ASP A 63 0.337 12.070 -8.016 1.00 0.00 H new ATOM 0 HA ASP A 63 0.042 12.881 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.768 14.055 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.338 14.842 -10.066 1.00 0.00 H new ATOM 982 N LEU A 64 2.892 11.718 -9.525 1.00 0.00 N ATOM 983 CA LEU A 64 4.240 11.181 -9.808 1.00 0.00 C ATOM 984 C LEU A 64 4.172 9.733 -10.366 1.00 0.00 C ATOM 985 O LEU A 64 3.165 9.053 -10.191 1.00 0.00 O ATOM 986 CB LEU A 64 5.127 11.223 -8.518 1.00 0.00 C ATOM 987 CG LEU A 64 5.682 12.611 -8.067 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.410 13.336 -9.223 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.588 13.491 -7.443 1.00 0.00 C ATOM 0 H LEU A 64 2.643 11.687 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 64 4.693 11.813 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.543 10.811 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.975 10.556 -8.672 1.00 0.00 H new ATOM 0 HG LEU A 64 6.420 12.422 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.783 14.298 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.246 12.726 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.715 13.495 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.017 14.447 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.797 13.661 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.172 12.990 -6.569 1.00 0.00 H new ATOM 1001 N PRO A 65 5.251 9.236 -11.060 1.00 0.00 N ATOM 1002 CA PRO A 65 5.347 7.825 -11.518 1.00 0.00 C ATOM 1003 C PRO A 65 5.678 6.799 -10.385 1.00 0.00 C ATOM 1004 O PRO A 65 6.388 5.821 -10.630 1.00 0.00 O ATOM 1005 CB PRO A 65 6.475 7.864 -12.612 1.00 0.00 C ATOM 1006 CG PRO A 65 6.845 9.313 -12.783 1.00 0.00 C ATOM 1007 CD PRO A 65 6.430 10.011 -11.515 1.00 0.00 C ATOM 0 HA PRO A 65 4.386 7.472 -11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.339 7.276 -12.302 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.121 7.439 -13.551 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.916 9.423 -12.954 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.339 9.744 -13.647 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.228 10.001 -10.772 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.177 11.056 -11.697 1.00 0.00 H new ATOM 1015 N ILE A 66 5.133 6.993 -9.162 1.00 0.00 N ATOM 1016 CA ILE A 66 5.211 5.971 -8.090 1.00 0.00 C ATOM 1017 C ILE A 66 4.003 5.041 -8.249 1.00 0.00 C ATOM 1018 O ILE A 66 2.856 5.483 -8.121 1.00 0.00 O ATOM 1019 CB ILE A 66 5.244 6.554 -6.605 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.599 7.274 -6.265 1.00 0.00 C ATOM 1021 CG2 ILE A 66 4.964 5.446 -5.548 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.761 8.642 -6.869 1.00 0.00 C ATOM 0 H ILE A 66 4.637 7.843 -8.893 1.00 0.00 H new ATOM 0 HA ILE A 66 6.162 5.452 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 66 4.449 7.298 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.686 7.359 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.422 6.644 -6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.995 5.880 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.979 5.014 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.722 4.667 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.726 9.057 -6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.711 8.568 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.963 9.294 -6.513 1.00 0.00 H new ATOM 1034 N GLN A 67 4.275 3.774 -8.583 1.00 0.00 N ATOM 1035 CA GLN A 67 3.258 2.714 -8.686 1.00 0.00 C ATOM 1036 C GLN A 67 3.584 1.609 -7.656 1.00 0.00 C ATOM 1037 O GLN A 67 4.736 1.498 -7.197 1.00 0.00 O ATOM 1038 CB GLN A 67 3.227 2.161 -10.140 1.00 0.00 C ATOM 1039 CG GLN A 67 2.933 3.220 -11.233 1.00 0.00 C ATOM 1040 CD GLN A 67 1.501 3.757 -11.193 1.00 0.00 C ATOM 1041 OE1 GLN A 67 0.601 3.194 -11.810 1.00 0.00 O ATOM 1042 NE2 GLN A 67 1.279 4.846 -10.482 1.00 0.00 N ATOM 0 H GLN A 67 5.219 3.449 -8.793 1.00 0.00 H new ATOM 0 HA GLN A 67 2.267 3.108 -8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.188 1.693 -10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.471 1.378 -10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.628 4.052 -11.118 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.121 2.781 -12.213 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.046 5.292 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.340 5.242 -10.435 1.00 0.00 H new ATOM 1051 N SER A 68 2.570 0.806 -7.288 1.00 0.00 N ATOM 1052 CA SER A 68 2.689 -0.231 -6.242 1.00 0.00 C ATOM 1053 C SER A 68 3.635 -1.373 -6.696 1.00 0.00 C ATOM 1054 O SER A 68 3.307 -2.133 -7.614 1.00 0.00 O ATOM 1055 CB SER A 68 1.277 -0.770 -5.887 1.00 0.00 C ATOM 1056 OG SER A 68 0.577 -1.193 -7.048 1.00 0.00 O ATOM 0 H SER A 68 1.642 0.856 -7.707 1.00 0.00 H new ATOM 0 HA SER A 68 3.129 0.211 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.369 -1.604 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.706 0.007 -5.379 1.00 0.00 H new ATOM 0 HG SER A 68 1.185 -1.690 -7.634 1.00 0.00 H new ATOM 1062 N GLY A 69 4.828 -1.446 -6.069 1.00 0.00 N ATOM 1063 CA GLY A 69 5.834 -2.478 -6.387 1.00 0.00 C ATOM 1064 C GLY A 69 6.789 -2.068 -7.500 1.00 0.00 C ATOM 1065 O GLY A 69 7.706 -2.822 -7.831 1.00 0.00 O ATOM 0 H GLY A 69 5.118 -0.798 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.409 -2.703 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.323 -3.396 -6.677 1.00 0.00 H new ATOM 1069 N ASP A 70 6.577 -0.859 -8.060 1.00 0.00 N ATOM 1070 CA ASP A 70 7.310 -0.368 -9.247 1.00 0.00 C ATOM 1071 C ASP A 70 8.756 0.021 -8.891 1.00 0.00 C ATOM 1072 O ASP A 70 9.079 0.289 -7.718 1.00 0.00 O ATOM 1073 CB ASP A 70 6.555 0.838 -9.871 1.00 0.00 C ATOM 1074 CG ASP A 70 7.097 1.314 -11.239 1.00 0.00 C ATOM 1075 OD1 ASP A 70 6.754 0.700 -12.277 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.874 2.292 -11.285 1.00 0.00 O ATOM 0 H ASP A 70 5.892 -0.194 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 70 7.359 -1.175 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.505 0.569 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.594 1.673 -9.171 1.00 0.00 H new ATOM 1081 N MET A 71 9.602 0.055 -9.929 1.00 0.00 N ATOM 1082 CA MET A 71 11.020 0.372 -9.805 1.00 0.00 C ATOM 1083 C MET A 71 11.231 1.882 -9.989 1.00 0.00 C ATOM 1084 O MET A 71 11.175 2.400 -11.113 1.00 0.00 O ATOM 1085 CB MET A 71 11.867 -0.423 -10.834 1.00 0.00 C ATOM 1086 CG MET A 71 13.399 -0.233 -10.716 1.00 0.00 C ATOM 1087 SD MET A 71 14.152 -1.080 -9.295 1.00 0.00 S ATOM 1088 CE MET A 71 13.909 0.073 -7.944 1.00 0.00 C ATOM 0 H MET A 71 9.312 -0.140 -10.887 1.00 0.00 H new ATOM 0 HA MET A 71 11.352 0.081 -8.808 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.639 -1.483 -10.726 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.557 -0.132 -11.838 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.869 -0.595 -11.630 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.617 0.833 -10.646 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.794 0.079 -7.307 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.743 1.073 -8.345 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.042 -0.231 -7.357 1.00 0.00 H new ATOM 1098 N LEU A 72 11.423 2.566 -8.863 1.00 0.00 N ATOM 1099 CA LEU A 72 11.745 4.004 -8.804 1.00 0.00 C ATOM 1100 C LEU A 72 13.255 4.151 -8.567 1.00 0.00 C ATOM 1101 O LEU A 72 13.815 3.419 -7.766 1.00 0.00 O ATOM 1102 CB LEU A 72 10.931 4.716 -7.663 1.00 0.00 C ATOM 1103 CG LEU A 72 9.421 5.052 -7.947 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.283 6.107 -9.057 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.584 3.801 -8.280 1.00 0.00 C ATOM 0 H LEU A 72 11.359 2.133 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 72 11.468 4.481 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.974 4.084 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.442 5.647 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 72 9.021 5.466 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.228 6.317 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.791 7.023 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.733 5.730 -9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.551 4.094 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.990 3.317 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.618 3.106 -7.441 1.00 0.00 H new ATOM 1117 N ILE A 73 13.919 5.060 -9.292 1.00 0.00 N ATOM 1118 CA ILE A 73 15.360 5.332 -9.125 1.00 0.00 C ATOM 1119 C ILE A 73 15.528 6.610 -8.283 1.00 0.00 C ATOM 1120 O ILE A 73 15.115 7.705 -8.696 1.00 0.00 O ATOM 1121 CB ILE A 73 16.114 5.462 -10.522 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.273 4.063 -11.236 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.511 6.144 -10.369 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.990 3.366 -11.662 1.00 0.00 C ATOM 0 H ILE A 73 13.476 5.630 -10.012 1.00 0.00 H new ATOM 0 HA ILE A 73 15.817 4.487 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 73 15.489 6.098 -11.148 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.896 4.201 -12.120 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.815 3.397 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.991 6.213 -11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.384 7.145 -9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.134 5.551 -9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.233 2.417 -12.140 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.367 3.183 -10.786 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.449 3.998 -12.366 1.00 0.00 H new ATOM 1136 N VAL A 74 16.085 6.425 -7.078 1.00 0.00 N ATOM 1137 CA VAL A 74 16.488 7.512 -6.181 1.00 0.00 C ATOM 1138 C VAL A 74 17.975 7.821 -6.417 1.00 0.00 C ATOM 1139 O VAL A 74 18.853 7.013 -6.091 1.00 0.00 O ATOM 1140 CB VAL A 74 16.232 7.136 -4.670 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.874 8.156 -3.689 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.717 6.995 -4.397 1.00 0.00 C ATOM 0 H VAL A 74 16.271 5.498 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 74 15.887 8.395 -6.399 1.00 0.00 H new ATOM 0 HB VAL A 74 16.716 6.176 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.669 7.852 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.952 8.187 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.452 9.145 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.559 6.735 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.218 7.939 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.304 6.211 -5.032 1.00 0.00 H new ATOM 1152 N GLU A 75 18.231 8.978 -7.015 1.00 0.00 N ATOM 1153 CA GLU A 75 19.589 9.491 -7.240 1.00 0.00 C ATOM 1154 C GLU A 75 20.112 10.200 -5.978 1.00 0.00 C ATOM 1155 O GLU A 75 19.328 10.597 -5.114 1.00 0.00 O ATOM 1156 CB GLU A 75 19.574 10.471 -8.436 1.00 0.00 C ATOM 1157 CG GLU A 75 18.558 11.628 -8.285 1.00 0.00 C ATOM 1158 CD GLU A 75 18.618 12.626 -9.438 1.00 0.00 C ATOM 1159 OE1 GLU A 75 18.160 12.289 -10.546 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.124 13.745 -9.250 1.00 0.00 O ATOM 0 H GLU A 75 17.499 9.597 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 75 20.254 8.657 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.572 10.891 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.345 9.916 -9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.551 11.215 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.748 12.151 -7.348 1.00 0.00 H new ATOM 1167 N GLU A 76 21.438 10.337 -5.886 1.00 0.00 N ATOM 1168 CA GLU A 76 22.108 11.114 -4.837 1.00 0.00 C ATOM 1169 C GLU A 76 22.866 12.269 -5.501 1.00 0.00 C ATOM 1170 O GLU A 76 23.753 12.030 -6.329 1.00 0.00 O ATOM 1171 CB GLU A 76 23.088 10.219 -4.037 1.00 0.00 C ATOM 1172 CG GLU A 76 23.846 10.954 -2.908 1.00 0.00 C ATOM 1173 CD GLU A 76 24.892 10.072 -2.208 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.999 9.898 -2.760 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.611 9.526 -1.121 1.00 0.00 O ATOM 0 H GLU A 76 22.085 9.906 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 76 21.368 11.505 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.531 9.388 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.815 9.790 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.340 11.833 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.128 11.311 -2.169 1.00 0.00 H new ATOM 1182 N ASP A 77 22.501 13.510 -5.151 1.00 0.00 N ATOM 1183 CA ASP A 77 23.153 14.719 -5.686 1.00 0.00 C ATOM 1184 C ASP A 77 24.306 15.178 -4.764 1.00 0.00 C ATOM 1185 O ASP A 77 25.244 15.832 -5.225 1.00 0.00 O ATOM 1186 CB ASP A 77 22.107 15.850 -5.863 1.00 0.00 C ATOM 1187 CG ASP A 77 22.670 17.072 -6.618 1.00 0.00 C ATOM 1188 OD1 ASP A 77 22.812 16.996 -7.858 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.982 18.100 -5.988 1.00 0.00 O ATOM 0 H ASP A 77 21.748 13.707 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 77 23.581 14.481 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.245 15.460 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.751 16.167 -4.882 1.00 0.00 H new ATOM 1194 N GLN A 78 24.200 14.824 -3.458 1.00 0.00 N ATOM 1195 CA GLN A 78 25.183 15.165 -2.387 1.00 0.00 C ATOM 1196 C GLN A 78 25.197 16.671 -2.035 1.00 0.00 C ATOM 1197 O GLN A 78 26.101 17.121 -1.321 1.00 0.00 O ATOM 1198 CB GLN A 78 26.641 14.694 -2.720 1.00 0.00 C ATOM 1199 CG GLN A 78 26.806 13.180 -2.920 1.00 0.00 C ATOM 1200 CD GLN A 78 28.263 12.736 -3.093 1.00 0.00 C ATOM 1201 OE1 GLN A 78 29.108 13.481 -3.586 1.00 0.00 O ATOM 1202 NE2 GLN A 78 28.569 11.519 -2.691 1.00 0.00 N ATOM 0 H GLN A 78 23.411 14.280 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 78 24.834 14.612 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 78 26.973 15.203 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 78 27.302 15.013 -1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.376 12.660 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.236 12.874 -3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.850 10.920 -2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 78 29.525 11.176 -2.786 1.00 0.00 H new ATOM 1211 N THR A 79 24.187 17.438 -2.508 1.00 0.00 N ATOM 1212 CA THR A 79 24.101 18.892 -2.234 1.00 0.00 C ATOM 1213 C THR A 79 23.829 19.158 -0.735 1.00 0.00 C ATOM 1214 O THR A 79 24.261 20.185 -0.203 1.00 0.00 O ATOM 1215 CB THR A 79 23.026 19.597 -3.136 1.00 0.00 C ATOM 1216 OG1 THR A 79 23.082 21.023 -2.973 1.00 0.00 O ATOM 1217 CG2 THR A 79 21.599 19.104 -2.861 1.00 0.00 C ATOM 0 H THR A 79 23.423 17.076 -3.079 1.00 0.00 H new ATOM 0 HA THR A 79 25.068 19.326 -2.487 1.00 0.00 H new ATOM 0 HB THR A 79 23.271 19.333 -4.165 1.00 0.00 H new ATOM 0 HG1 THR A 79 22.406 21.444 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.901 19.627 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 79 21.541 18.032 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 79 21.340 19.301 -1.821 1.00 0.00 H new ATOM 1225 N ARG A 80 23.129 18.193 -0.078 1.00 0.00 N ATOM 1226 CA ARG A 80 22.848 18.191 1.374 1.00 0.00 C ATOM 1227 C ARG A 80 22.062 19.458 1.800 1.00 0.00 C ATOM 1228 O ARG A 80 22.650 20.415 2.316 1.00 0.00 O ATOM 1229 CB ARG A 80 24.162 18.027 2.200 1.00 0.00 C ATOM 1230 CG ARG A 80 24.986 16.767 1.855 1.00 0.00 C ATOM 1231 CD ARG A 80 26.367 16.749 2.538 1.00 0.00 C ATOM 1232 NE ARG A 80 27.167 17.942 2.181 1.00 0.00 N ATOM 1233 CZ ARG A 80 28.491 18.072 2.335 1.00 0.00 C ATOM 1234 NH1 ARG A 80 29.231 17.067 2.789 1.00 0.00 N ATOM 1235 NH2 ARG A 80 29.065 19.223 2.025 1.00 0.00 N ATOM 0 H ARG A 80 22.739 17.382 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 80 22.215 17.330 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 80 24.786 18.907 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 80 23.908 18.000 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.427 15.880 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 80 25.120 16.711 0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 80 26.238 16.707 3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 80 26.906 15.848 2.246 1.00 0.00 H new ATOM 0 HE ARG A 80 26.665 18.736 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 80 28.792 16.177 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 80 30.238 17.185 2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 80 28.500 19.996 1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 80 30.072 19.337 2.137 1.00 0.00 H new ATOM 1249 N PRO A 81 20.729 19.513 1.515 1.00 0.00 N ATOM 1250 CA PRO A 81 19.877 20.657 1.899 1.00 0.00 C ATOM 1251 C PRO A 81 19.243 20.485 3.298 1.00 0.00 C ATOM 1252 O PRO A 81 18.931 19.360 3.724 1.00 0.00 O ATOM 1253 CB PRO A 81 18.809 20.633 0.791 1.00 0.00 C ATOM 1254 CG PRO A 81 18.610 19.169 0.498 1.00 0.00 C ATOM 1255 CD PRO A 81 19.946 18.488 0.767 1.00 0.00 C ATOM 0 HA PRO A 81 20.426 21.595 1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.882 21.102 1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 81 19.142 21.174 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 81 17.827 18.750 1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.300 19.019 -0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.819 17.577 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 81 20.443 18.204 -0.160 1.00 0.00 H new ATOM 1263 N LYS A 82 19.042 21.612 3.997 1.00 0.00 N ATOM 1264 CA LYS A 82 18.344 21.632 5.281 1.00 0.00 C ATOM 1265 C LYS A 82 16.839 21.430 5.004 1.00 0.00 C ATOM 1266 O LYS A 82 16.180 22.305 4.429 1.00 0.00 O ATOM 1267 CB LYS A 82 18.646 22.969 6.034 1.00 0.00 C ATOM 1268 CG LYS A 82 18.171 23.067 7.515 1.00 0.00 C ATOM 1269 CD LYS A 82 16.639 23.285 7.731 1.00 0.00 C ATOM 1270 CE LYS A 82 16.111 24.673 7.275 1.00 0.00 C ATOM 1271 NZ LYS A 82 16.150 24.869 5.799 1.00 0.00 N ATOM 0 H LYS A 82 19.359 22.530 3.685 1.00 0.00 H new ATOM 0 HA LYS A 82 18.688 20.829 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.723 23.135 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.186 23.784 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.464 22.152 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.705 23.888 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.096 22.509 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.413 23.155 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.085 24.794 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.704 25.453 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.315 25.411 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.012 25.390 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.150 23.943 5.326 1.00 0.00 H new ATOM 1285 N ALA A 83 16.336 20.248 5.377 1.00 0.00 N ATOM 1286 CA ALA A 83 14.917 19.884 5.265 1.00 0.00 C ATOM 1287 C ALA A 83 14.468 19.206 6.566 1.00 0.00 C ATOM 1288 O ALA A 83 15.257 18.488 7.190 1.00 0.00 O ATOM 1289 CB ALA A 83 14.702 18.951 4.060 1.00 0.00 C ATOM 0 H ALA A 83 16.912 19.505 5.772 1.00 0.00 H new ATOM 0 HA ALA A 83 14.319 20.781 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.647 18.688 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.013 19.458 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.293 18.045 4.191 1.00 0.00 H new ATOM 1295 N SER A 84 13.221 19.457 6.984 1.00 0.00 N ATOM 1296 CA SER A 84 12.622 18.812 8.165 1.00 0.00 C ATOM 1297 C SER A 84 11.886 17.520 7.724 1.00 0.00 C ATOM 1298 O SER A 84 10.829 17.614 7.082 1.00 0.00 O ATOM 1299 CB SER A 84 11.668 19.809 8.875 1.00 0.00 C ATOM 1300 OG SER A 84 10.716 20.357 7.977 1.00 0.00 O ATOM 0 H SER A 84 12.597 20.113 6.515 1.00 0.00 H new ATOM 0 HA SER A 84 13.397 18.531 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.150 19.300 9.688 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.251 20.614 9.323 1.00 0.00 H new ATOM 0 HG SER A 84 10.434 19.669 7.339 1.00 0.00 H new ATOM 1306 N PRO A 85 12.455 16.294 8.011 1.00 0.00 N ATOM 1307 CA PRO A 85 11.827 15.011 7.601 1.00 0.00 C ATOM 1308 C PRO A 85 10.540 14.722 8.405 1.00 0.00 C ATOM 1309 O PRO A 85 9.511 14.339 7.832 1.00 0.00 O ATOM 1310 CB PRO A 85 12.950 13.964 7.862 1.00 0.00 C ATOM 1311 CG PRO A 85 13.793 14.564 8.953 1.00 0.00 C ATOM 1312 CD PRO A 85 13.749 16.065 8.736 1.00 0.00 C ATOM 0 HA PRO A 85 11.493 15.007 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 85 12.532 13.005 8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 85 13.538 13.783 6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 85 13.404 14.300 9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 85 14.817 14.192 8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 85 13.776 16.605 9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 85 14.601 16.408 8.149 1.00 0.00 H new ATOM 1320 N SER A 86 10.612 14.938 9.732 1.00 0.00 N ATOM 1321 CA SER A 86 9.493 14.781 10.667 1.00 0.00 C ATOM 1322 C SER A 86 9.747 15.720 11.875 1.00 0.00 C ATOM 1323 O SER A 86 10.573 15.379 12.749 1.00 0.00 O ATOM 1324 CB SER A 86 9.337 13.293 11.111 1.00 0.00 C ATOM 1325 OG SER A 86 9.025 12.438 10.016 1.00 0.00 O ATOM 1326 OXT SER A 86 9.160 16.827 11.917 1.00 0.00 O ATOM 0 H SER A 86 11.474 15.234 10.190 1.00 0.00 H new ATOM 0 HA SER A 86 8.555 15.054 10.184 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.261 12.957 11.581 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.551 13.220 11.863 1.00 0.00 H new ATOM 0 HG SER A 86 8.937 11.516 10.336 1.00 0.00 H new TER 1332 SER A 86