USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot -61:sc= 1.29 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.32 K(o=2.6,f=-5!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -177:sc= 0.615 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -109:sc= 0.597 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.531) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.16 (180deg=1.88) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 173:sc= 0.961 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 0.258 (180deg=0.0072) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 2.17 (180deg=1.65) USER MOD Single : A 31 GLN : amide:sc= -0.775 K(o=-0.77,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0.926 (180deg=0.846) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 41 GLN : amide:sc= 1.21 K(o=1.2,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 2.7 K(o=2.7,f=-6.1!) USER MOD Single : A 55 THR OG1 : rot -88:sc= 1.3 USER MOD Single : A 57 SER OG : rot 68:sc= 1.21 USER MOD Single : A 59 TYR OH : rot -58:sc= 0.181 USER MOD Single : A 60 ASN : amide:sc= -0.0326 K(o=-0.033,f=-0.98) USER MOD Single : A 62 GLN : amide:sc= 0.193 K(o=0.19,f=-5.7!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.18) USER MOD Single : A 65 SER OG : rot 62:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.845 51.852 19.773 1.00 0.00 N ATOM 2 CA MET A 1 33.156 52.245 21.155 1.00 0.00 C ATOM 3 C MET A 1 34.643 52.569 21.314 1.00 0.00 C ATOM 4 O MET A 1 35.483 51.949 20.666 1.00 0.00 O ATOM 5 CB MET A 1 32.703 51.210 22.180 1.00 0.00 C ATOM 6 CG MET A 1 33.351 49.837 22.022 1.00 0.00 C ATOM 7 SD MET A 1 32.714 48.581 23.157 1.00 0.00 S ATOM 8 CE MET A 1 33.731 47.191 22.596 1.00 0.00 C ATOM 0 H1 MET A 1 31.813 51.802 19.650 1.00 0.00 H new ATOM 0 H2 MET A 1 33.239 52.555 19.115 1.00 0.00 H new ATOM 0 H3 MET A 1 33.262 50.920 19.575 1.00 0.00 H new ATOM 0 HA MET A 1 32.584 53.151 21.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.920 51.587 23.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.621 51.097 22.110 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.203 49.494 20.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.426 49.935 22.173 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.277 46.254 22.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.799 47.206 21.508 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.730 47.276 23.023 1.00 0.00 H new ATOM 20 N GLN A 2 34.965 53.491 22.216 1.00 0.00 N ATOM 21 CA GLN A 2 36.323 53.840 22.587 1.00 0.00 C ATOM 22 C GLN A 2 36.839 52.936 23.708 1.00 0.00 C ATOM 23 O GLN A 2 36.110 52.636 24.651 1.00 0.00 O ATOM 24 CB GLN A 2 36.380 55.320 22.952 1.00 0.00 C ATOM 25 CG GLN A 2 37.801 55.841 23.156 1.00 0.00 C ATOM 26 CD GLN A 2 37.861 57.369 23.202 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.107 57.993 24.232 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.659 58.035 22.069 1.00 0.00 N ATOM 0 H GLN A 2 34.262 54.030 22.722 1.00 0.00 H new ATOM 0 HA GLN A 2 36.988 53.676 21.739 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.898 55.899 22.164 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.807 55.484 23.864 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.204 55.436 24.084 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.437 55.479 22.348 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.454 57.527 21.208 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.709 59.054 22.060 1.00 0.00 H new ATOM 37 N ILE A 3 38.104 52.535 23.625 1.00 0.00 N ATOM 38 CA ILE A 3 38.840 51.867 24.679 1.00 0.00 C ATOM 39 C ILE A 3 40.252 52.444 24.811 1.00 0.00 C ATOM 40 O ILE A 3 40.714 53.169 23.934 1.00 0.00 O ATOM 41 CB ILE A 3 38.862 50.354 24.484 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.596 49.916 23.220 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.456 49.764 24.560 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.863 48.415 23.142 1.00 0.00 C ATOM 0 H ILE A 3 38.663 52.675 22.783 1.00 0.00 H new ATOM 0 HA ILE A 3 38.317 52.054 25.617 1.00 0.00 H new ATOM 0 HB ILE A 3 39.441 49.948 25.314 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.011 50.216 22.351 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.546 50.447 23.162 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.506 48.685 24.417 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.023 49.981 25.536 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.834 50.205 23.781 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.388 48.187 22.214 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.476 48.110 23.990 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.916 47.875 23.166 1.00 0.00 H new ATOM 56 N PHE A 4 40.956 52.101 25.886 1.00 0.00 N ATOM 57 CA PHE A 4 42.294 52.567 26.186 1.00 0.00 C ATOM 58 C PHE A 4 43.320 51.433 26.221 1.00 0.00 C ATOM 59 O PHE A 4 43.051 50.356 26.748 1.00 0.00 O ATOM 60 CB PHE A 4 42.304 53.310 27.520 1.00 0.00 C ATOM 61 CG PHE A 4 41.170 54.278 27.756 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.939 55.329 26.860 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.351 54.136 28.883 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.898 56.235 27.091 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.316 55.047 29.125 1.00 0.00 C ATOM 66 CZ PHE A 4 39.089 56.095 28.226 1.00 0.00 C ATOM 0 H PHE A 4 40.590 51.466 26.595 1.00 0.00 H new ATOM 0 HA PHE A 4 42.582 53.241 25.380 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.296 52.572 28.322 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.243 53.858 27.599 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.566 55.441 25.988 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.519 53.319 29.569 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.718 57.041 26.395 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.695 54.941 30.002 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.289 56.797 28.408 1.00 0.00 H new ATOM 76 N VAL A 5 44.525 51.694 25.723 1.00 0.00 N ATOM 77 CA VAL A 5 45.679 50.827 25.857 1.00 0.00 C ATOM 78 C VAL A 5 46.820 51.582 26.540 1.00 0.00 C ATOM 79 O VAL A 5 47.104 52.729 26.201 1.00 0.00 O ATOM 80 CB VAL A 5 46.123 50.258 24.512 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.333 49.336 24.645 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.997 49.474 23.846 1.00 0.00 C ATOM 0 H VAL A 5 44.726 52.545 25.198 1.00 0.00 H new ATOM 0 HA VAL A 5 45.395 49.978 26.479 1.00 0.00 H new ATOM 0 HB VAL A 5 46.396 51.117 23.899 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.611 48.956 23.662 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.169 49.892 25.069 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.084 48.501 25.299 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.343 49.081 22.890 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.698 48.648 24.491 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.144 50.132 23.680 1.00 0.00 H new ATOM 92 N LYS A 6 47.489 50.911 27.472 1.00 0.00 N ATOM 93 CA LYS A 6 48.738 51.341 28.069 1.00 0.00 C ATOM 94 C LYS A 6 49.902 50.636 27.369 1.00 0.00 C ATOM 95 O LYS A 6 49.962 49.409 27.380 1.00 0.00 O ATOM 96 CB LYS A 6 48.733 51.045 29.566 1.00 0.00 C ATOM 97 CG LYS A 6 47.563 51.645 30.340 1.00 0.00 C ATOM 98 CD LYS A 6 47.538 53.169 30.407 1.00 0.00 C ATOM 99 CE LYS A 6 48.672 53.700 31.280 1.00 0.00 C ATOM 100 NZ LYS A 6 48.586 55.159 31.447 1.00 0.00 N ATOM 0 H LYS A 6 47.159 50.020 27.843 1.00 0.00 H new ATOM 0 HA LYS A 6 48.856 52.417 27.943 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.726 49.964 29.707 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.663 51.416 29.997 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.634 51.303 29.885 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.583 51.253 31.357 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.625 53.582 29.402 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.580 53.503 30.807 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.637 53.218 32.257 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.631 53.440 30.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.399 55.493 32.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.593 55.616 30.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.705 55.400 31.944 1.00 0.00 H new ATOM 114 N THR A 7 50.797 51.396 26.743 1.00 0.00 N ATOM 115 CA THR A 7 51.924 50.866 26.004 1.00 0.00 C ATOM 116 C THR A 7 53.100 50.527 26.922 1.00 0.00 C ATOM 117 O THR A 7 52.988 50.645 28.141 1.00 0.00 O ATOM 118 CB THR A 7 52.304 51.731 24.806 1.00 0.00 C ATOM 119 OG1 THR A 7 53.116 52.825 25.173 1.00 0.00 O ATOM 120 CG2 THR A 7 51.098 52.271 24.041 1.00 0.00 C ATOM 0 H THR A 7 50.752 52.415 26.739 1.00 0.00 H new ATOM 0 HA THR A 7 51.605 49.918 25.571 1.00 0.00 H new ATOM 0 HB THR A 7 52.860 51.057 24.154 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.422 53.290 24.367 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.441 52.877 23.202 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.502 51.439 23.667 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.489 52.883 24.706 1.00 0.00 H new ATOM 128 N LEU A 8 54.231 50.087 26.379 1.00 0.00 N ATOM 129 CA LEU A 8 55.334 49.554 27.154 1.00 0.00 C ATOM 130 C LEU A 8 55.944 50.571 28.120 1.00 0.00 C ATOM 131 O LEU A 8 56.370 50.210 29.215 1.00 0.00 O ATOM 132 CB LEU A 8 56.396 49.009 26.203 1.00 0.00 C ATOM 133 CG LEU A 8 55.965 47.893 25.257 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.071 47.620 24.241 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.677 46.587 25.992 1.00 0.00 C ATOM 0 H LEU A 8 54.404 50.093 25.374 1.00 0.00 H new ATOM 0 HA LEU A 8 54.938 48.753 27.778 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.771 49.837 25.602 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.232 48.644 26.800 1.00 0.00 H new ATOM 0 HG LEU A 8 55.051 48.231 24.770 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.758 46.822 23.568 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.267 48.524 23.665 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.979 47.318 24.764 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.374 45.825 25.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.575 46.257 26.514 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.875 46.745 26.714 1.00 0.00 H new ATOM 147 N THR A 9 55.928 51.850 27.755 1.00 0.00 N ATOM 148 CA THR A 9 56.375 52.978 28.546 1.00 0.00 C ATOM 149 C THR A 9 55.287 53.596 29.425 1.00 0.00 C ATOM 150 O THR A 9 55.514 54.632 30.044 1.00 0.00 O ATOM 151 CB THR A 9 56.951 54.068 27.647 1.00 0.00 C ATOM 152 OG1 THR A 9 55.966 54.477 26.723 1.00 0.00 O ATOM 153 CG2 THR A 9 58.172 53.607 26.857 1.00 0.00 C ATOM 0 H THR A 9 55.579 52.137 26.840 1.00 0.00 H new ATOM 0 HA THR A 9 57.138 52.575 29.212 1.00 0.00 H new ATOM 0 HB THR A 9 57.260 54.883 28.301 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.331 55.179 26.144 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.535 54.427 26.237 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.957 53.299 27.548 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.897 52.765 26.221 1.00 0.00 H new ATOM 161 N GLY A 10 54.087 53.023 29.466 1.00 0.00 N ATOM 162 CA GLY A 10 52.947 53.579 30.167 1.00 0.00 C ATOM 163 C GLY A 10 52.220 54.700 29.423 1.00 0.00 C ATOM 164 O GLY A 10 51.286 55.283 29.972 1.00 0.00 O ATOM 0 H GLY A 10 53.882 52.139 29.000 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.237 52.777 30.370 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.282 53.960 31.132 1.00 0.00 H new ATOM 168 N LYS A 11 52.610 54.993 28.186 1.00 0.00 N ATOM 169 CA LYS A 11 51.903 55.903 27.309 1.00 0.00 C ATOM 170 C LYS A 11 50.456 55.442 27.122 1.00 0.00 C ATOM 171 O LYS A 11 50.212 54.246 26.977 1.00 0.00 O ATOM 172 CB LYS A 11 52.621 55.999 25.965 1.00 0.00 C ATOM 173 CG LYS A 11 52.286 57.253 25.162 1.00 0.00 C ATOM 174 CD LYS A 11 52.813 57.170 23.732 1.00 0.00 C ATOM 175 CE LYS A 11 54.335 57.105 23.654 1.00 0.00 C ATOM 176 NZ LYS A 11 54.786 56.851 22.277 1.00 0.00 N ATOM 0 H LYS A 11 53.446 54.592 27.762 1.00 0.00 H new ATOM 0 HA LYS A 11 51.888 56.894 27.763 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.697 55.969 26.138 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.370 55.122 25.369 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.205 57.394 25.143 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.713 58.126 25.656 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.393 56.288 23.248 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.464 58.038 23.172 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.761 58.042 24.012 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.702 56.317 24.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.647 57.402 22.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.990 55.838 22.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.040 57.134 21.610 1.00 0.00 H new ATOM 190 N THR A 12 49.507 56.374 27.112 1.00 0.00 N ATOM 191 CA THR A 12 48.098 56.085 26.936 1.00 0.00 C ATOM 192 C THR A 12 47.690 56.362 25.488 1.00 0.00 C ATOM 193 O THR A 12 47.943 57.448 24.974 1.00 0.00 O ATOM 194 CB THR A 12 47.249 56.903 27.906 1.00 0.00 C ATOM 195 OG1 THR A 12 47.708 56.740 29.229 1.00 0.00 O ATOM 196 CG2 THR A 12 45.779 56.492 27.903 1.00 0.00 C ATOM 0 H THR A 12 49.706 57.368 27.229 1.00 0.00 H new ATOM 0 HA THR A 12 47.926 55.031 27.154 1.00 0.00 H new ATOM 0 HB THR A 12 47.340 57.935 27.568 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.060 56.209 29.737 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.227 57.109 28.612 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.365 56.629 26.904 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.694 55.444 28.191 1.00 0.00 H new ATOM 204 N ILE A 13 47.040 55.396 24.844 1.00 0.00 N ATOM 205 CA ILE A 13 46.483 55.531 23.512 1.00 0.00 C ATOM 206 C ILE A 13 45.020 55.082 23.484 1.00 0.00 C ATOM 207 O ILE A 13 44.645 54.084 24.095 1.00 0.00 O ATOM 208 CB ILE A 13 47.331 54.847 22.446 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.435 53.338 22.643 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.707 55.501 22.355 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.188 52.577 21.556 1.00 0.00 C ATOM 0 H ILE A 13 46.885 54.474 25.251 1.00 0.00 H new ATOM 0 HA ILE A 13 46.502 56.591 23.257 1.00 0.00 H new ATOM 0 HB ILE A 13 46.819 54.986 21.494 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.924 53.148 23.598 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.427 52.930 22.714 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.298 54.999 21.589 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.593 56.553 22.095 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.214 55.418 23.317 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.200 51.514 21.798 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.691 52.725 20.597 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.211 52.947 21.495 1.00 0.00 H new ATOM 223 N THR A 14 44.189 55.819 22.753 1.00 0.00 N ATOM 224 CA THR A 14 42.806 55.483 22.483 1.00 0.00 C ATOM 225 C THR A 14 42.676 54.598 21.241 1.00 0.00 C ATOM 226 O THR A 14 43.322 54.862 20.229 1.00 0.00 O ATOM 227 CB THR A 14 41.934 56.721 22.301 1.00 0.00 C ATOM 228 OG1 THR A 14 42.444 57.619 21.340 1.00 0.00 O ATOM 229 CG2 THR A 14 41.748 57.518 23.590 1.00 0.00 C ATOM 0 H THR A 14 44.476 56.697 22.320 1.00 0.00 H new ATOM 0 HA THR A 14 42.456 54.936 23.358 1.00 0.00 H new ATOM 0 HB THR A 14 40.979 56.313 21.969 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.845 58.391 21.264 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.118 58.386 23.394 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.273 56.888 24.342 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.720 57.850 23.956 1.00 0.00 H new ATOM 237 N LEU A 15 41.830 53.574 21.297 1.00 0.00 N ATOM 238 CA LEU A 15 41.399 52.816 20.140 1.00 0.00 C ATOM 239 C LEU A 15 39.892 52.968 19.926 1.00 0.00 C ATOM 240 O LEU A 15 39.140 53.050 20.895 1.00 0.00 O ATOM 241 CB LEU A 15 41.744 51.333 20.260 1.00 0.00 C ATOM 242 CG LEU A 15 43.167 50.947 20.657 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.248 49.423 20.635 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.254 51.487 19.732 1.00 0.00 C ATOM 0 H LEU A 15 41.419 53.245 22.171 1.00 0.00 H new ATOM 0 HA LEU A 15 41.936 53.221 19.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.065 50.892 20.990 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.528 50.864 19.300 1.00 0.00 H new ATOM 0 HG LEU A 15 43.353 51.384 21.638 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.253 49.108 20.914 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.529 49.010 21.342 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.020 49.061 19.633 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.231 51.163 20.091 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.094 51.108 18.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.214 52.576 19.721 1.00 0.00 H new ATOM 256 N GLU A 16 39.457 52.929 18.670 1.00 0.00 N ATOM 257 CA GLU A 16 38.068 52.803 18.277 1.00 0.00 C ATOM 258 C GLU A 16 37.807 51.385 17.764 1.00 0.00 C ATOM 259 O GLU A 16 38.467 50.918 16.838 1.00 0.00 O ATOM 260 CB GLU A 16 37.734 53.882 17.251 1.00 0.00 C ATOM 261 CG GLU A 16 36.329 53.811 16.661 1.00 0.00 C ATOM 262 CD GLU A 16 35.212 53.921 17.701 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.129 54.945 18.411 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.346 53.019 17.753 1.00 0.00 O ATOM 0 H GLU A 16 40.090 52.987 17.873 1.00 0.00 H new ATOM 0 HA GLU A 16 37.408 52.957 19.131 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.864 54.858 17.719 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.455 53.821 16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.212 54.612 15.931 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.219 52.870 16.123 1.00 0.00 H new ATOM 271 N VAL A 17 36.881 50.676 18.401 1.00 0.00 N ATOM 272 CA VAL A 17 36.606 49.269 18.182 1.00 0.00 C ATOM 273 C VAL A 17 35.104 48.976 18.208 1.00 0.00 C ATOM 274 O VAL A 17 34.329 49.707 18.818 1.00 0.00 O ATOM 275 CB VAL A 17 37.315 48.400 19.217 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.834 48.460 19.089 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.923 48.761 20.647 1.00 0.00 C ATOM 0 H VAL A 17 36.278 51.088 19.113 1.00 0.00 H new ATOM 0 HA VAL A 17 36.989 49.024 17.191 1.00 0.00 H new ATOM 0 HB VAL A 17 36.985 47.383 19.006 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.289 47.824 19.849 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.130 48.111 18.100 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.170 49.488 19.227 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.455 48.114 21.344 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.185 49.800 20.845 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.849 48.627 20.775 1.00 0.00 H new ATOM 287 N GLU A 18 34.700 47.863 17.601 1.00 0.00 N ATOM 288 CA GLU A 18 33.405 47.255 17.831 1.00 0.00 C ATOM 289 C GLU A 18 33.552 46.004 18.700 1.00 0.00 C ATOM 290 O GLU A 18 34.596 45.359 18.645 1.00 0.00 O ATOM 291 CB GLU A 18 32.722 46.916 16.509 1.00 0.00 C ATOM 292 CG GLU A 18 32.387 48.121 15.634 1.00 0.00 C ATOM 293 CD GLU A 18 31.483 49.155 16.306 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.444 48.795 16.901 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.786 50.364 16.203 1.00 0.00 O ATOM 0 H GLU A 18 35.275 47.356 16.928 1.00 0.00 H new ATOM 0 HA GLU A 18 32.778 47.972 18.360 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.368 46.243 15.945 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.802 46.371 16.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.316 48.607 15.335 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.903 47.770 14.723 1.00 0.00 H new ATOM 302 N PRO A 19 32.544 45.577 19.456 1.00 0.00 N ATOM 303 CA PRO A 19 32.614 44.356 20.234 1.00 0.00 C ATOM 304 C PRO A 19 32.738 43.080 19.400 1.00 0.00 C ATOM 305 O PRO A 19 32.998 42.012 19.950 1.00 0.00 O ATOM 306 CB PRO A 19 31.362 44.360 21.105 1.00 0.00 C ATOM 307 CG PRO A 19 30.364 45.188 20.300 1.00 0.00 C ATOM 308 CD PRO A 19 31.269 46.236 19.657 1.00 0.00 C ATOM 0 HA PRO A 19 33.529 44.344 20.827 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.994 43.349 21.281 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.555 44.804 22.082 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.842 44.587 19.555 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.603 45.641 20.935 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.854 46.585 18.711 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.376 47.110 20.300 1.00 0.00 H new ATOM 316 N SER A 20 32.577 43.183 18.084 1.00 0.00 N ATOM 317 CA SER A 20 32.829 42.154 17.096 1.00 0.00 C ATOM 318 C SER A 20 34.268 42.102 16.580 1.00 0.00 C ATOM 319 O SER A 20 34.608 41.129 15.909 1.00 0.00 O ATOM 320 CB SER A 20 31.857 42.338 15.934 1.00 0.00 C ATOM 321 OG SER A 20 32.044 43.584 15.301 1.00 0.00 O ATOM 0 H SER A 20 32.245 44.048 17.657 1.00 0.00 H new ATOM 0 HA SER A 20 32.673 41.198 17.596 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.997 41.535 15.210 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.833 42.263 16.299 1.00 0.00 H new ATOM 0 HG SER A 20 31.409 43.673 14.560 1.00 0.00 H new ATOM 327 N ASP A 21 35.121 43.083 16.863 1.00 0.00 N ATOM 328 CA ASP A 21 36.520 43.051 16.488 1.00 0.00 C ATOM 329 C ASP A 21 37.266 41.914 17.191 1.00 0.00 C ATOM 330 O ASP A 21 36.868 41.455 18.259 1.00 0.00 O ATOM 331 CB ASP A 21 37.217 44.377 16.778 1.00 0.00 C ATOM 332 CG ASP A 21 37.049 45.469 15.719 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.938 45.162 14.513 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.137 46.663 16.078 1.00 0.00 O ATOM 0 H ASP A 21 34.851 43.929 17.365 1.00 0.00 H new ATOM 0 HA ASP A 21 36.546 42.875 15.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.845 44.760 17.728 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.282 44.184 16.907 1.00 0.00 H new ATOM 339 N THR A 22 38.377 41.479 16.603 1.00 0.00 N ATOM 340 CA THR A 22 39.227 40.439 17.146 1.00 0.00 C ATOM 341 C THR A 22 40.491 40.982 17.816 1.00 0.00 C ATOM 342 O THR A 22 40.860 42.138 17.624 1.00 0.00 O ATOM 343 CB THR A 22 39.593 39.386 16.104 1.00 0.00 C ATOM 344 OG1 THR A 22 40.448 39.923 15.118 1.00 0.00 O ATOM 345 CG2 THR A 22 38.373 38.775 15.423 1.00 0.00 C ATOM 0 H THR A 22 38.714 41.852 15.716 1.00 0.00 H new ATOM 0 HA THR A 22 38.628 39.961 17.921 1.00 0.00 H new ATOM 0 HB THR A 22 40.106 38.594 16.650 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.990 40.652 14.650 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.697 38.034 14.693 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.741 38.296 16.171 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.808 39.558 14.918 1.00 0.00 H new ATOM 353 N ILE A 23 41.199 40.136 18.558 1.00 0.00 N ATOM 354 CA ILE A 23 42.444 40.512 19.196 1.00 0.00 C ATOM 355 C ILE A 23 43.507 40.916 18.172 1.00 0.00 C ATOM 356 O ILE A 23 44.248 41.865 18.415 1.00 0.00 O ATOM 357 CB ILE A 23 42.923 39.418 20.147 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.862 38.989 21.157 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.187 39.848 20.884 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.115 40.106 21.881 1.00 0.00 C ATOM 0 H ILE A 23 40.920 39.170 18.731 1.00 0.00 H new ATOM 0 HA ILE A 23 42.259 41.399 19.802 1.00 0.00 H new ATOM 0 HB ILE A 23 43.140 38.554 19.519 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.130 38.370 20.639 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.340 38.358 21.906 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.506 39.050 21.555 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.977 40.053 20.162 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.982 40.748 21.463 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.390 39.672 22.570 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.825 40.717 22.439 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.596 40.728 21.152 1.00 0.00 H new ATOM 372 N GLU A 24 43.524 40.310 16.988 1.00 0.00 N ATOM 373 CA GLU A 24 44.367 40.762 15.900 1.00 0.00 C ATOM 374 C GLU A 24 44.035 42.183 15.443 1.00 0.00 C ATOM 375 O GLU A 24 44.955 42.952 15.175 1.00 0.00 O ATOM 376 CB GLU A 24 44.316 39.817 14.702 1.00 0.00 C ATOM 377 CG GLU A 24 44.879 38.423 14.963 1.00 0.00 C ATOM 378 CD GLU A 24 43.797 37.473 15.482 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.569 37.434 16.710 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.146 36.806 14.648 1.00 0.00 O ATOM 0 H GLU A 24 42.954 39.495 16.762 1.00 0.00 H new ATOM 0 HA GLU A 24 45.379 40.764 16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.280 39.720 14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.868 40.268 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.306 38.023 14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.689 38.486 15.689 1.00 0.00 H new ATOM 387 N ASN A 25 42.763 42.575 15.423 1.00 0.00 N ATOM 388 CA ASN A 25 42.374 43.941 15.133 1.00 0.00 C ATOM 389 C ASN A 25 42.831 44.903 16.232 1.00 0.00 C ATOM 390 O ASN A 25 43.298 45.994 15.913 1.00 0.00 O ATOM 391 CB ASN A 25 40.872 44.063 14.896 1.00 0.00 C ATOM 392 CG ASN A 25 40.369 43.225 13.719 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.708 42.205 13.901 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.672 43.645 12.494 1.00 0.00 N ATOM 0 H ASN A 25 41.978 41.950 15.608 1.00 0.00 H new ATOM 0 HA ASN A 25 42.880 44.224 14.210 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.344 43.759 15.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.624 45.110 14.719 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.354 43.117 11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.222 44.495 12.368 1.00 0.00 H new ATOM 401 N VAL A 26 42.774 44.524 17.505 1.00 0.00 N ATOM 402 CA VAL A 26 43.308 45.327 18.586 1.00 0.00 C ATOM 403 C VAL A 26 44.809 45.551 18.397 1.00 0.00 C ATOM 404 O VAL A 26 45.258 46.696 18.415 1.00 0.00 O ATOM 405 CB VAL A 26 43.024 44.723 19.958 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.575 45.580 21.094 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.525 44.573 20.203 1.00 0.00 C ATOM 0 H VAL A 26 42.353 43.647 17.811 1.00 0.00 H new ATOM 0 HA VAL A 26 42.797 46.289 18.551 1.00 0.00 H new ATOM 0 HB VAL A 26 43.516 43.751 19.952 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.347 45.108 22.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.655 45.677 20.986 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.117 46.568 21.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.359 44.140 21.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.048 45.552 20.152 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.096 43.920 19.443 1.00 0.00 H new ATOM 417 N LYS A 27 45.580 44.501 18.129 1.00 0.00 N ATOM 418 CA LYS A 27 47.007 44.595 17.896 1.00 0.00 C ATOM 419 C LYS A 27 47.340 45.447 16.668 1.00 0.00 C ATOM 420 O LYS A 27 48.243 46.279 16.723 1.00 0.00 O ATOM 421 CB LYS A 27 47.600 43.193 17.786 1.00 0.00 C ATOM 422 CG LYS A 27 47.564 42.407 19.093 1.00 0.00 C ATOM 423 CD LYS A 27 47.834 40.919 18.889 1.00 0.00 C ATOM 424 CE LYS A 27 47.854 40.207 20.239 1.00 0.00 C ATOM 425 NZ LYS A 27 47.712 38.750 20.098 1.00 0.00 N ATOM 0 H LYS A 27 45.220 43.549 18.068 1.00 0.00 H new ATOM 0 HA LYS A 27 47.459 45.105 18.747 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.056 42.637 17.023 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.633 43.271 17.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.305 42.816 19.780 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.589 42.535 19.563 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.065 40.485 18.250 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.788 40.780 18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.789 40.432 20.753 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.047 40.591 20.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.731 38.307 21.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 46.809 38.533 19.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.496 38.379 19.525 1.00 0.00 H new ATOM 439 N ALA A 28 46.582 45.310 15.585 1.00 0.00 N ATOM 440 CA ALA A 28 46.733 46.095 14.377 1.00 0.00 C ATOM 441 C ALA A 28 46.377 47.571 14.567 1.00 0.00 C ATOM 442 O ALA A 28 46.990 48.432 13.939 1.00 0.00 O ATOM 443 CB ALA A 28 45.887 45.448 13.285 1.00 0.00 C ATOM 0 H ALA A 28 45.825 44.628 15.528 1.00 0.00 H new ATOM 0 HA ALA A 28 47.785 46.097 14.091 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.983 46.021 12.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.230 44.427 13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.842 45.433 13.595 1.00 0.00 H new ATOM 449 N LYS A 29 45.433 47.892 15.448 1.00 0.00 N ATOM 450 CA LYS A 29 45.074 49.246 15.819 1.00 0.00 C ATOM 451 C LYS A 29 46.068 49.880 16.794 1.00 0.00 C ATOM 452 O LYS A 29 46.258 51.092 16.736 1.00 0.00 O ATOM 453 CB LYS A 29 43.645 49.263 16.352 1.00 0.00 C ATOM 454 CG LYS A 29 42.600 49.035 15.264 1.00 0.00 C ATOM 455 CD LYS A 29 41.199 48.858 15.842 1.00 0.00 C ATOM 456 CE LYS A 29 40.195 48.658 14.711 1.00 0.00 C ATOM 457 NZ LYS A 29 38.797 48.680 15.173 1.00 0.00 N ATOM 0 H LYS A 29 44.881 47.187 15.937 1.00 0.00 H new ATOM 0 HA LYS A 29 45.122 49.868 14.925 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.539 48.493 17.117 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.455 50.221 16.836 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.604 49.880 14.576 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.867 48.151 14.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.179 48.000 16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.926 49.733 16.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.337 49.439 13.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.395 47.706 14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.173 48.930 14.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.537 47.741 15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.693 49.385 15.930 1.00 0.00 H new ATOM 471 N ILE A 30 46.754 49.095 17.620 1.00 0.00 N ATOM 472 CA ILE A 30 47.879 49.534 18.422 1.00 0.00 C ATOM 473 C ILE A 30 49.076 49.886 17.536 1.00 0.00 C ATOM 474 O ILE A 30 49.691 50.932 17.732 1.00 0.00 O ATOM 475 CB ILE A 30 48.241 48.494 19.479 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.149 48.407 20.542 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.581 48.780 20.149 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.230 47.150 21.403 1.00 0.00 C ATOM 0 H ILE A 30 46.532 48.108 17.750 1.00 0.00 H new ATOM 0 HA ILE A 30 47.586 50.441 18.951 1.00 0.00 H new ATOM 0 HB ILE A 30 48.328 47.540 18.958 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.212 49.283 21.187 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.175 48.440 20.053 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.788 48.009 20.892 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.371 48.782 19.398 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.543 49.754 20.637 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.423 47.158 22.135 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.136 46.268 20.769 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.189 47.125 21.921 1.00 0.00 H new ATOM 490 N GLN A 31 49.386 49.063 16.538 1.00 0.00 N ATOM 491 CA GLN A 31 50.461 49.292 15.594 1.00 0.00 C ATOM 492 C GLN A 31 50.327 50.634 14.871 1.00 0.00 C ATOM 493 O GLN A 31 51.319 51.322 14.644 1.00 0.00 O ATOM 494 CB GLN A 31 50.468 48.130 14.606 1.00 0.00 C ATOM 495 CG GLN A 31 51.676 48.114 13.674 1.00 0.00 C ATOM 496 CD GLN A 31 51.610 46.973 12.657 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.598 46.300 12.477 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.712 46.654 11.983 1.00 0.00 N ATOM 0 H GLN A 31 48.878 48.196 16.364 1.00 0.00 H new ATOM 0 HA GLN A 31 51.408 49.341 16.132 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.439 47.193 15.163 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.559 48.172 14.005 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.737 49.065 13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.587 48.019 14.265 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.565 47.197 12.114 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.703 45.866 11.335 1.00 0.00 H new ATOM 507 N ASP A 32 49.102 51.064 14.579 1.00 0.00 N ATOM 508 CA ASP A 32 48.834 52.359 13.986 1.00 0.00 C ATOM 509 C ASP A 32 49.186 53.562 14.863 1.00 0.00 C ATOM 510 O ASP A 32 49.464 54.620 14.304 1.00 0.00 O ATOM 511 CB ASP A 32 47.364 52.404 13.579 1.00 0.00 C ATOM 512 CG ASP A 32 47.095 51.897 12.160 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.040 51.576 11.409 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.905 51.864 11.778 1.00 0.00 O ATOM 0 H ASP A 32 48.262 50.512 14.752 1.00 0.00 H new ATOM 0 HA ASP A 32 49.494 52.453 13.124 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.784 51.807 14.283 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.006 53.430 13.661 1.00 0.00 H new ATOM 519 N LYS A 33 49.209 53.424 16.185 1.00 0.00 N ATOM 520 CA LYS A 33 49.488 54.500 17.115 1.00 0.00 C ATOM 521 C LYS A 33 50.847 54.417 17.812 1.00 0.00 C ATOM 522 O LYS A 33 51.378 55.466 18.169 1.00 0.00 O ATOM 523 CB LYS A 33 48.354 54.632 18.129 1.00 0.00 C ATOM 524 CG LYS A 33 47.103 55.263 17.524 1.00 0.00 C ATOM 525 CD LYS A 33 46.117 55.686 18.608 1.00 0.00 C ATOM 526 CE LYS A 33 44.900 56.397 18.023 1.00 0.00 C ATOM 527 NZ LYS A 33 43.874 55.453 17.553 1.00 0.00 N ATOM 0 H LYS A 33 49.028 52.533 16.647 1.00 0.00 H new ATOM 0 HA LYS A 33 49.547 55.403 16.507 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.106 53.646 18.523 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.692 55.236 18.971 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.383 56.130 16.926 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.624 54.552 16.851 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.791 54.808 19.166 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.617 56.346 19.317 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.468 57.054 18.778 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.216 57.030 17.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.158 55.966 17.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.318 54.727 16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.420 54.998 18.371 1.00 0.00 H new ATOM 541 N GLU A 34 51.427 53.234 17.994 1.00 0.00 N ATOM 542 CA GLU A 34 52.696 53.044 18.668 1.00 0.00 C ATOM 543 C GLU A 34 53.755 52.348 17.812 1.00 0.00 C ATOM 544 O GLU A 34 54.899 52.205 18.237 1.00 0.00 O ATOM 545 CB GLU A 34 52.436 52.361 20.009 1.00 0.00 C ATOM 546 CG GLU A 34 53.574 52.320 21.025 1.00 0.00 C ATOM 547 CD GLU A 34 54.013 53.688 21.548 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.601 54.489 20.790 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.845 53.970 22.755 1.00 0.00 O ATOM 0 H GLU A 34 51.012 52.362 17.666 1.00 0.00 H new ATOM 0 HA GLU A 34 53.143 54.020 18.854 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.587 52.859 20.478 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.131 51.334 19.807 1.00 0.00 H new ATOM 0 HG2 GLU A 34 53.266 51.705 21.870 1.00 0.00 H new ATOM 0 HG3 GLU A 34 54.433 51.828 20.569 1.00 0.00 H new ATOM 556 N GLY A 35 53.430 51.913 16.598 1.00 0.00 N ATOM 557 CA GLY A 35 54.395 51.409 15.643 1.00 0.00 C ATOM 558 C GLY A 35 54.907 49.986 15.870 1.00 0.00 C ATOM 559 O GLY A 35 55.405 49.375 14.927 1.00 0.00 O ATOM 0 H GLY A 35 52.471 51.903 16.251 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.947 51.455 14.650 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.252 52.082 15.638 1.00 0.00 H new ATOM 563 N ILE A 36 54.752 49.418 17.063 1.00 0.00 N ATOM 564 CA ILE A 36 55.132 48.058 17.386 1.00 0.00 C ATOM 565 C ILE A 36 54.274 47.036 16.638 1.00 0.00 C ATOM 566 O ILE A 36 53.053 47.070 16.773 1.00 0.00 O ATOM 567 CB ILE A 36 55.142 47.855 18.899 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.637 46.454 19.247 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.815 48.174 19.580 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.906 46.219 20.731 1.00 0.00 C ATOM 0 H ILE A 36 54.343 49.915 17.855 1.00 0.00 H new ATOM 0 HA ILE A 36 56.151 47.886 17.038 1.00 0.00 H new ATOM 0 HB ILE A 36 55.843 48.586 19.301 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.898 45.728 18.907 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.554 46.260 18.691 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.906 48.004 20.653 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.554 49.217 19.399 1.00 0.00 H new ATOM 0 HG23 ILE A 36 53.034 47.529 19.176 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.254 45.197 20.880 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.669 46.916 21.077 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.988 46.376 21.297 1.00 0.00 H new ATOM 582 N PRO A 37 54.840 46.124 15.853 1.00 0.00 N ATOM 583 CA PRO A 37 54.068 45.197 15.051 1.00 0.00 C ATOM 584 C PRO A 37 53.409 44.100 15.890 1.00 0.00 C ATOM 585 O PRO A 37 53.991 43.685 16.890 1.00 0.00 O ATOM 586 CB PRO A 37 55.030 44.629 14.011 1.00 0.00 C ATOM 587 CG PRO A 37 56.380 44.704 14.720 1.00 0.00 C ATOM 588 CD PRO A 37 56.252 45.966 15.569 1.00 0.00 C ATOM 0 HA PRO A 37 53.233 45.709 14.572 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.773 43.605 13.739 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.023 45.215 13.092 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.563 43.822 15.333 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.205 44.776 14.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.826 45.874 16.491 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.641 46.834 15.036 1.00 0.00 H new ATOM 596 N PRO A 38 52.244 43.581 15.513 1.00 0.00 N ATOM 597 CA PRO A 38 51.516 42.566 16.247 1.00 0.00 C ATOM 598 C PRO A 38 52.316 41.334 16.671 1.00 0.00 C ATOM 599 O PRO A 38 52.125 40.845 17.782 1.00 0.00 O ATOM 600 CB PRO A 38 50.374 42.146 15.324 1.00 0.00 C ATOM 601 CG PRO A 38 50.038 43.436 14.579 1.00 0.00 C ATOM 602 CD PRO A 38 51.405 44.102 14.454 1.00 0.00 C ATOM 0 HA PRO A 38 51.200 42.999 17.196 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.679 41.354 14.640 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.519 41.771 15.886 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.591 43.239 13.605 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.333 44.055 15.134 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.845 43.893 13.479 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.312 45.185 14.536 1.00 0.00 H new ATOM 610 N ASP A 39 53.249 40.859 15.849 1.00 0.00 N ATOM 611 CA ASP A 39 54.083 39.723 16.184 1.00 0.00 C ATOM 612 C ASP A 39 55.111 40.000 17.283 1.00 0.00 C ATOM 613 O ASP A 39 55.704 39.057 17.801 1.00 0.00 O ATOM 614 CB ASP A 39 54.689 39.104 14.927 1.00 0.00 C ATOM 615 CG ASP A 39 55.700 40.002 14.211 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.282 40.798 13.343 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.920 39.860 14.445 1.00 0.00 O ATOM 0 H ASP A 39 53.443 41.257 14.930 1.00 0.00 H new ATOM 0 HA ASP A 39 53.426 38.977 16.632 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.178 38.168 15.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.885 38.856 14.234 1.00 0.00 H new ATOM 622 N GLN A 40 55.278 41.249 17.710 1.00 0.00 N ATOM 623 CA GLN A 40 55.998 41.654 18.900 1.00 0.00 C ATOM 624 C GLN A 40 55.090 41.988 20.086 1.00 0.00 C ATOM 625 O GLN A 40 55.595 42.209 21.184 1.00 0.00 O ATOM 626 CB GLN A 40 56.887 42.853 18.581 1.00 0.00 C ATOM 627 CG GLN A 40 58.002 42.557 17.582 1.00 0.00 C ATOM 628 CD GLN A 40 58.910 43.765 17.343 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.052 44.658 18.174 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.571 43.842 16.191 1.00 0.00 N ATOM 0 H GLN A 40 54.891 42.045 17.202 1.00 0.00 H new ATOM 0 HA GLN A 40 56.599 40.797 19.203 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.266 43.657 18.187 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.332 43.218 19.507 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.601 41.723 17.948 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.563 42.243 16.635 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.463 43.108 15.491 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.186 44.635 16.008 1.00 0.00 H new ATOM 639 N GLN A 41 53.772 42.034 19.916 1.00 0.00 N ATOM 640 CA GLN A 41 52.833 42.401 20.957 1.00 0.00 C ATOM 641 C GLN A 41 52.282 41.190 21.712 1.00 0.00 C ATOM 642 O GLN A 41 51.942 40.179 21.103 1.00 0.00 O ATOM 643 CB GLN A 41 51.662 43.199 20.391 1.00 0.00 C ATOM 644 CG GLN A 41 52.004 44.540 19.749 1.00 0.00 C ATOM 645 CD GLN A 41 50.744 45.225 19.214 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.659 45.110 19.778 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.804 45.943 18.097 1.00 0.00 N ATOM 0 H GLN A 41 53.322 41.811 19.028 1.00 0.00 H new ATOM 0 HA GLN A 41 53.398 43.015 21.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.156 42.583 19.647 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.949 43.377 21.196 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.491 45.185 20.481 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.714 44.388 18.936 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.693 46.054 17.609 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.961 46.383 17.728 1.00 0.00 H new ATOM 656 N ARG A 42 52.090 41.348 23.020 1.00 0.00 N ATOM 657 CA ARG A 42 51.327 40.474 23.886 1.00 0.00 C ATOM 658 C ARG A 42 50.412 41.337 24.756 1.00 0.00 C ATOM 659 O ARG A 42 50.888 42.302 25.349 1.00 0.00 O ATOM 660 CB ARG A 42 52.325 39.633 24.678 1.00 0.00 C ATOM 661 CG ARG A 42 51.744 38.771 25.795 1.00 0.00 C ATOM 662 CD ARG A 42 52.860 38.064 26.559 1.00 0.00 C ATOM 663 NE ARG A 42 52.311 37.239 27.635 1.00 0.00 N ATOM 664 CZ ARG A 42 52.718 37.106 28.905 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.776 37.733 29.436 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.020 36.287 29.703 1.00 0.00 N ATOM 0 H ARG A 42 52.490 42.138 23.526 1.00 0.00 H new ATOM 0 HA ARG A 42 50.679 39.787 23.341 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.852 38.981 23.981 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.068 40.302 25.113 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.165 39.392 26.478 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.059 38.034 25.375 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.437 37.441 25.875 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.546 38.802 26.974 1.00 0.00 H new ATOM 0 HE ARG A 42 51.496 36.681 27.380 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.335 38.364 28.863 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.022 37.579 30.414 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.208 35.789 29.338 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.301 36.161 30.676 1.00 0.00 H new ATOM 680 N LEU A 43 49.117 41.038 24.821 1.00 0.00 N ATOM 681 CA LEU A 43 48.121 41.876 25.456 1.00 0.00 C ATOM 682 C LEU A 43 47.440 41.210 26.655 1.00 0.00 C ATOM 683 O LEU A 43 47.002 40.067 26.559 1.00 0.00 O ATOM 684 CB LEU A 43 47.071 42.315 24.439 1.00 0.00 C ATOM 685 CG LEU A 43 47.564 43.059 23.202 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.359 43.457 22.355 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.346 44.325 23.542 1.00 0.00 C ATOM 0 H LEU A 43 48.728 40.184 24.422 1.00 0.00 H new ATOM 0 HA LEU A 43 48.654 42.745 25.841 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.532 41.428 24.107 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.351 42.953 24.952 1.00 0.00 H new ATOM 0 HG LEU A 43 48.235 42.386 22.668 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.699 43.990 21.467 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.814 42.562 22.055 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.702 44.103 22.937 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.670 44.811 22.622 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.709 45.006 24.106 1.00 0.00 H new ATOM 0 HD23 LEU A 43 49.218 44.064 24.141 1.00 0.00 H new ATOM 699 N ILE A 44 47.306 41.948 27.752 1.00 0.00 N ATOM 700 CA ILE A 44 46.689 41.528 28.995 1.00 0.00 C ATOM 701 C ILE A 44 45.527 42.453 29.360 1.00 0.00 C ATOM 702 O ILE A 44 45.679 43.673 29.361 1.00 0.00 O ATOM 703 CB ILE A 44 47.704 41.464 30.132 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.033 40.785 29.811 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.083 40.827 31.371 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.986 39.300 29.463 1.00 0.00 C ATOM 0 H ILE A 44 47.646 42.909 27.795 1.00 0.00 H new ATOM 0 HA ILE A 44 46.298 40.522 28.845 1.00 0.00 H new ATOM 0 HB ILE A 44 47.961 42.508 30.314 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.491 41.314 28.975 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.694 40.911 30.669 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.823 40.790 32.171 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.227 41.420 31.695 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.755 39.815 31.134 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.995 38.942 29.257 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.568 38.743 30.301 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.362 39.152 28.582 1.00 0.00 H new ATOM 718 N PHE A 45 44.375 41.886 29.711 1.00 0.00 N ATOM 719 CA PHE A 45 43.180 42.587 30.134 1.00 0.00 C ATOM 720 C PHE A 45 42.543 41.901 31.345 1.00 0.00 C ATOM 721 O PHE A 45 42.207 40.722 31.274 1.00 0.00 O ATOM 722 CB PHE A 45 42.202 42.631 28.964 1.00 0.00 C ATOM 723 CG PHE A 45 40.799 43.055 29.332 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.545 44.375 29.724 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.759 42.119 29.331 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.253 44.759 30.104 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.466 42.502 29.706 1.00 0.00 C ATOM 728 CZ PHE A 45 38.212 43.824 30.092 1.00 0.00 C ATOM 0 H PHE A 45 44.251 40.874 29.705 1.00 0.00 H new ATOM 0 HA PHE A 45 43.441 43.602 30.435 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.589 43.317 28.210 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.160 41.643 28.505 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.347 45.098 29.733 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.955 41.098 29.040 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.060 45.778 30.407 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.664 41.778 29.698 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.214 44.121 30.380 1.00 0.00 H new ATOM 738 N ALA A 46 42.361 42.622 32.448 1.00 0.00 N ATOM 739 CA ALA A 46 41.838 42.116 33.700 1.00 0.00 C ATOM 740 C ALA A 46 42.455 40.784 34.129 1.00 0.00 C ATOM 741 O ALA A 46 41.764 39.809 34.416 1.00 0.00 O ATOM 742 CB ALA A 46 40.313 42.124 33.641 1.00 0.00 C ATOM 0 H ALA A 46 42.585 43.616 32.489 1.00 0.00 H new ATOM 0 HA ALA A 46 42.142 42.784 34.506 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.911 41.744 34.580 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.960 43.143 33.481 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.977 41.491 32.820 1.00 0.00 H new ATOM 748 N GLY A 47 43.783 40.711 34.089 1.00 0.00 N ATOM 749 CA GLY A 47 44.582 39.539 34.386 1.00 0.00 C ATOM 750 C GLY A 47 44.589 38.437 33.324 1.00 0.00 C ATOM 751 O GLY A 47 45.318 37.462 33.489 1.00 0.00 O ATOM 0 H GLY A 47 44.356 41.515 33.834 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.610 39.859 34.554 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.225 39.110 35.322 1.00 0.00 H new ATOM 755 N LYS A 48 43.815 38.551 32.249 1.00 0.00 N ATOM 756 CA LYS A 48 43.635 37.547 31.220 1.00 0.00 C ATOM 757 C LYS A 48 44.452 37.882 29.970 1.00 0.00 C ATOM 758 O LYS A 48 44.359 38.994 29.455 1.00 0.00 O ATOM 759 CB LYS A 48 42.151 37.412 30.893 1.00 0.00 C ATOM 760 CG LYS A 48 41.328 36.920 32.080 1.00 0.00 C ATOM 761 CD LYS A 48 39.821 37.034 31.870 1.00 0.00 C ATOM 762 CE LYS A 48 39.331 38.475 31.975 1.00 0.00 C ATOM 763 NZ LYS A 48 37.861 38.535 31.942 1.00 0.00 N ATOM 0 H LYS A 48 43.270 39.394 32.068 1.00 0.00 H new ATOM 0 HA LYS A 48 44.001 36.590 31.593 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.766 38.378 30.565 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.028 36.720 30.060 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.581 35.879 32.279 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.607 37.491 32.966 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.561 36.634 30.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.306 36.422 32.610 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.696 38.921 32.900 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.741 39.063 31.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.552 39.525 32.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.517 38.130 31.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.473 37.992 32.740 1.00 0.00 H new ATOM 777 N GLN A 49 45.232 36.932 29.459 1.00 0.00 N ATOM 778 CA GLN A 49 45.963 37.074 28.216 1.00 0.00 C ATOM 779 C GLN A 49 45.011 36.956 27.023 1.00 0.00 C ATOM 780 O GLN A 49 44.250 35.996 26.935 1.00 0.00 O ATOM 781 CB GLN A 49 47.088 36.044 28.174 1.00 0.00 C ATOM 782 CG GLN A 49 47.873 36.041 26.865 1.00 0.00 C ATOM 783 CD GLN A 49 49.176 35.250 26.990 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.073 35.624 27.743 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.376 34.156 26.259 1.00 0.00 N ATOM 0 H GLN A 49 45.372 36.028 29.910 1.00 0.00 H new ATOM 0 HA GLN A 49 46.416 38.064 28.157 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.775 36.236 28.998 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.666 35.052 28.336 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.260 35.610 26.074 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.096 37.067 26.572 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.647 33.825 25.627 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.258 33.649 26.331 1.00 0.00 H new ATOM 794 N LEU A 50 45.070 37.921 26.109 1.00 0.00 N ATOM 795 CA LEU A 50 44.213 37.983 24.943 1.00 0.00 C ATOM 796 C LEU A 50 44.803 37.163 23.793 1.00 0.00 C ATOM 797 O LEU A 50 45.919 37.419 23.347 1.00 0.00 O ATOM 798 CB LEU A 50 43.974 39.444 24.576 1.00 0.00 C ATOM 799 CG LEU A 50 43.347 40.309 25.666 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.197 41.745 25.174 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.956 39.817 26.053 1.00 0.00 C ATOM 0 H LEU A 50 45.732 38.695 26.166 1.00 0.00 H new ATOM 0 HA LEU A 50 43.244 37.535 25.164 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.928 39.888 24.290 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.330 39.478 23.697 1.00 0.00 H new ATOM 0 HG LEU A 50 44.009 40.251 26.530 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.749 42.354 25.959 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.178 42.147 24.919 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.557 41.762 24.292 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.546 40.460 26.831 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.305 39.844 25.180 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.022 38.795 26.425 1.00 0.00 H new ATOM 813 N GLU A 51 44.056 36.172 23.314 1.00 0.00 N ATOM 814 CA GLU A 51 44.512 35.159 22.383 1.00 0.00 C ATOM 815 C GLU A 51 43.954 35.285 20.963 1.00 0.00 C ATOM 816 O GLU A 51 43.019 36.037 20.700 1.00 0.00 O ATOM 817 CB GLU A 51 44.244 33.777 22.970 1.00 0.00 C ATOM 818 CG GLU A 51 45.094 33.447 24.194 1.00 0.00 C ATOM 819 CD GLU A 51 46.583 33.232 23.913 1.00 0.00 C ATOM 820 OE1 GLU A 51 47.312 32.886 24.869 1.00 0.00 O ATOM 821 OE2 GLU A 51 47.053 33.372 22.764 1.00 0.00 O ATOM 0 H GLU A 51 43.078 36.053 23.578 1.00 0.00 H new ATOM 0 HA GLU A 51 45.583 35.316 22.258 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.191 33.707 23.242 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.425 33.026 22.201 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.990 34.255 24.918 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.695 32.547 24.662 1.00 0.00 H new ATOM 828 N ASP A 52 44.530 34.532 20.030 1.00 0.00 N ATOM 829 CA ASP A 52 44.302 34.692 18.608 1.00 0.00 C ATOM 830 C ASP A 52 42.935 34.171 18.157 1.00 0.00 C ATOM 831 O ASP A 52 42.513 33.079 18.531 1.00 0.00 O ATOM 832 CB ASP A 52 45.413 34.056 17.778 1.00 0.00 C ATOM 833 CG ASP A 52 46.802 34.602 18.111 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.173 35.676 17.588 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.535 33.943 18.880 1.00 0.00 O ATOM 0 H ASP A 52 45.181 33.779 20.252 1.00 0.00 H new ATOM 0 HA ASP A 52 44.311 35.768 18.431 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.406 32.978 17.938 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.208 34.222 16.720 1.00 0.00 H new ATOM 840 N GLY A 53 42.259 34.960 17.327 1.00 0.00 N ATOM 841 CA GLY A 53 40.955 34.687 16.758 1.00 0.00 C ATOM 842 C GLY A 53 39.766 34.927 17.692 1.00 0.00 C ATOM 843 O GLY A 53 38.629 34.806 17.243 1.00 0.00 O ATOM 0 H GLY A 53 42.634 35.858 17.020 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.828 35.306 15.870 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.932 33.648 16.428 1.00 0.00 H new ATOM 847 N ARG A 54 39.998 35.297 18.948 1.00 0.00 N ATOM 848 CA ARG A 54 38.971 35.661 19.901 1.00 0.00 C ATOM 849 C ARG A 54 38.428 37.064 19.618 1.00 0.00 C ATOM 850 O ARG A 54 39.161 37.911 19.115 1.00 0.00 O ATOM 851 CB ARG A 54 39.519 35.563 21.322 1.00 0.00 C ATOM 852 CG ARG A 54 40.071 34.207 21.757 1.00 0.00 C ATOM 853 CD ARG A 54 39.017 33.146 22.061 1.00 0.00 C ATOM 854 NE ARG A 54 38.331 32.659 20.863 1.00 0.00 N ATOM 855 CZ ARG A 54 38.704 31.670 20.039 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.822 30.955 20.221 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.917 31.382 18.993 1.00 0.00 N ATOM 0 H ARG A 54 40.939 35.351 19.337 1.00 0.00 H new ATOM 0 HA ARG A 54 38.141 34.962 19.799 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.312 36.303 21.432 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.724 35.843 22.013 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.727 33.831 20.972 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.686 34.351 22.645 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.491 32.306 22.568 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.281 33.560 22.751 1.00 0.00 H new ATOM 0 HE ARG A 54 37.459 33.132 20.625 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.431 31.154 21.014 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.064 30.211 19.566 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.058 31.911 18.840 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.177 30.634 18.350 1.00 0.00 H new ATOM 871 N THR A 55 37.170 37.321 19.963 1.00 0.00 N ATOM 872 CA THR A 55 36.555 38.627 19.839 1.00 0.00 C ATOM 873 C THR A 55 36.642 39.449 21.126 1.00 0.00 C ATOM 874 O THR A 55 36.888 38.905 22.200 1.00 0.00 O ATOM 875 CB THR A 55 35.101 38.560 19.379 1.00 0.00 C ATOM 876 OG1 THR A 55 34.289 37.986 20.378 1.00 0.00 O ATOM 877 CG2 THR A 55 34.894 37.771 18.089 1.00 0.00 C ATOM 0 H THR A 55 36.543 36.611 20.343 1.00 0.00 H new ATOM 0 HA THR A 55 37.137 39.130 19.067 1.00 0.00 H new ATOM 0 HB THR A 55 34.818 39.595 19.185 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.280 37.012 20.272 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.835 37.770 17.829 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.465 38.234 17.284 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.234 36.745 18.231 1.00 0.00 H new ATOM 885 N LEU A 56 36.368 40.749 21.047 1.00 0.00 N ATOM 886 CA LEU A 56 36.143 41.572 22.218 1.00 0.00 C ATOM 887 C LEU A 56 34.974 41.065 23.066 1.00 0.00 C ATOM 888 O LEU A 56 35.079 41.089 24.289 1.00 0.00 O ATOM 889 CB LEU A 56 35.918 43.031 21.826 1.00 0.00 C ATOM 890 CG LEU A 56 37.202 43.848 21.738 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.049 43.495 20.519 1.00 0.00 C ATOM 892 CD2 LEU A 56 36.868 45.336 21.665 1.00 0.00 C ATOM 0 H LEU A 56 36.297 41.256 20.165 1.00 0.00 H new ATOM 0 HA LEU A 56 37.044 41.505 22.827 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.410 43.065 20.862 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.252 43.495 22.554 1.00 0.00 H new ATOM 0 HG LEU A 56 37.776 43.613 22.634 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.949 44.109 20.511 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.328 42.442 20.563 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.475 43.681 19.611 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.790 45.913 21.602 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.258 45.529 20.782 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.316 45.629 22.558 1.00 0.00 H new ATOM 904 N SER A 57 33.916 40.554 22.444 1.00 0.00 N ATOM 905 CA SER A 57 32.809 39.917 23.129 1.00 0.00 C ATOM 906 C SER A 57 33.241 38.696 23.946 1.00 0.00 C ATOM 907 O SER A 57 32.774 38.522 25.069 1.00 0.00 O ATOM 908 CB SER A 57 31.719 39.492 22.150 1.00 0.00 C ATOM 909 OG SER A 57 31.186 40.584 21.435 1.00 0.00 O ATOM 0 H SER A 57 33.807 40.574 21.430 1.00 0.00 H new ATOM 0 HA SER A 57 32.418 40.668 23.815 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.128 38.766 21.448 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.918 38.992 22.696 1.00 0.00 H new ATOM 0 HG SER A 57 31.868 40.943 20.830 1.00 0.00 H new ATOM 915 N ASP A 58 34.196 37.908 23.462 1.00 0.00 N ATOM 916 CA ASP A 58 34.713 36.738 24.144 1.00 0.00 C ATOM 917 C ASP A 58 35.547 37.057 25.386 1.00 0.00 C ATOM 918 O ASP A 58 35.868 36.157 26.159 1.00 0.00 O ATOM 919 CB ASP A 58 35.479 35.849 23.169 1.00 0.00 C ATOM 920 CG ASP A 58 34.575 35.270 22.079 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.559 34.626 22.421 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.873 35.457 20.879 1.00 0.00 O ATOM 0 H ASP A 58 34.640 38.075 22.559 1.00 0.00 H new ATOM 0 HA ASP A 58 33.845 36.194 24.518 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.279 36.426 22.706 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.951 35.034 23.718 1.00 0.00 H new ATOM 927 N TYR A 59 35.863 38.327 25.621 1.00 0.00 N ATOM 928 CA TYR A 59 36.400 38.838 26.868 1.00 0.00 C ATOM 929 C TYR A 59 35.522 39.901 27.530 1.00 0.00 C ATOM 930 O TYR A 59 35.885 40.405 28.590 1.00 0.00 O ATOM 931 CB TYR A 59 37.828 39.325 26.640 1.00 0.00 C ATOM 932 CG TYR A 59 38.796 38.245 26.218 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.332 37.377 27.177 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.182 38.132 24.877 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.277 36.414 26.806 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.147 37.190 24.503 1.00 0.00 C ATOM 937 CZ TYR A 59 40.704 36.325 25.466 1.00 0.00 C ATOM 938 OH TYR A 59 41.629 35.395 25.091 1.00 0.00 O ATOM 0 H TYR A 59 35.745 39.054 24.916 1.00 0.00 H new ATOM 0 HA TYR A 59 36.410 38.016 27.584 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.816 40.103 25.877 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.193 39.785 27.558 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.015 37.451 28.207 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.735 38.772 24.131 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.679 35.739 27.547 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.466 37.126 23.473 1.00 0.00 H new ATOM 0 HH TYR A 59 42.450 35.521 25.612 1.00 0.00 H new ATOM 948 N ASN A 60 34.373 40.245 26.953 1.00 0.00 N ATOM 949 CA ASN A 60 33.471 41.292 27.389 1.00 0.00 C ATOM 950 C ASN A 60 34.136 42.652 27.612 1.00 0.00 C ATOM 951 O ASN A 60 33.957 43.295 28.643 1.00 0.00 O ATOM 952 CB ASN A 60 32.627 40.788 28.556 1.00 0.00 C ATOM 953 CG ASN A 60 31.384 41.643 28.810 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.845 42.306 27.926 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.875 41.616 30.039 1.00 0.00 N ATOM 0 H ASN A 60 34.032 39.767 26.119 1.00 0.00 H new ATOM 0 HA ASN A 60 32.791 41.513 26.566 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.320 39.761 28.358 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.239 40.770 29.458 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.031 42.148 30.253 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.328 41.063 30.767 1.00 0.00 H new ATOM 962 N ILE A 61 34.933 43.099 26.646 1.00 0.00 N ATOM 963 CA ILE A 61 35.558 44.407 26.650 1.00 0.00 C ATOM 964 C ILE A 61 34.511 45.449 26.252 1.00 0.00 C ATOM 965 O ILE A 61 33.846 45.274 25.234 1.00 0.00 O ATOM 966 CB ILE A 61 36.791 44.392 25.751 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.874 43.494 26.343 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.347 45.795 25.527 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.965 43.078 25.362 1.00 0.00 C ATOM 0 H ILE A 61 35.164 42.545 25.822 1.00 0.00 H new ATOM 0 HA ILE A 61 35.917 44.676 27.643 1.00 0.00 H new ATOM 0 HB ILE A 61 36.481 43.995 24.784 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.338 44.012 27.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.403 42.596 26.744 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.224 45.740 24.882 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.587 46.416 25.054 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.628 46.232 26.485 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.689 42.442 25.871 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.519 42.528 24.533 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.468 43.966 24.979 1.00 0.00 H new ATOM 981 N GLN A 62 34.345 46.509 27.038 1.00 0.00 N ATOM 982 CA GLN A 62 33.250 47.453 26.930 1.00 0.00 C ATOM 983 C GLN A 62 33.660 48.926 26.994 1.00 0.00 C ATOM 984 O GLN A 62 34.787 49.260 27.352 1.00 0.00 O ATOM 985 CB GLN A 62 32.211 47.136 28.001 1.00 0.00 C ATOM 986 CG GLN A 62 31.072 46.253 27.502 1.00 0.00 C ATOM 987 CD GLN A 62 30.128 46.936 26.509 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.408 47.987 25.938 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.975 46.331 26.237 1.00 0.00 N ATOM 0 H GLN A 62 34.994 46.737 27.791 1.00 0.00 H new ATOM 0 HA GLN A 62 32.832 47.327 25.931 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.703 46.641 28.838 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.796 48.070 28.381 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.496 45.367 27.030 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.492 45.911 28.359 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.734 45.458 26.706 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.332 46.740 25.559 1.00 0.00 H new ATOM 998 N LYS A 63 32.730 49.819 26.668 1.00 0.00 N ATOM 999 CA LYS A 63 32.876 51.260 26.619 1.00 0.00 C ATOM 1000 C LYS A 63 32.934 51.891 28.011 1.00 0.00 C ATOM 1001 O LYS A 63 31.935 51.870 28.726 1.00 0.00 O ATOM 1002 CB LYS A 63 31.689 51.790 25.819 1.00 0.00 C ATOM 1003 CG LYS A 63 31.829 53.216 25.294 1.00 0.00 C ATOM 1004 CD LYS A 63 31.545 54.325 26.304 1.00 0.00 C ATOM 1005 CE LYS A 63 31.646 55.676 25.603 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.599 56.792 26.560 1.00 0.00 N ATOM 0 H LYS A 63 31.787 49.526 26.413 1.00 0.00 H new ATOM 0 HA LYS A 63 33.822 51.524 26.146 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.520 51.125 24.972 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.799 51.739 26.447 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.843 53.346 24.915 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.154 53.340 24.447 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.551 54.197 26.733 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.257 54.275 27.128 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.575 55.723 25.035 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.830 55.776 24.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.551 57.692 26.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.759 56.695 27.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.455 56.779 27.151 1.00 0.00 H new ATOM 1020 N GLU A 64 34.008 52.539 28.451 1.00 0.00 N ATOM 1021 CA GLU A 64 35.397 52.440 28.049 1.00 0.00 C ATOM 1022 C GLU A 64 36.160 51.560 29.040 1.00 0.00 C ATOM 1023 O GLU A 64 35.920 51.636 30.242 1.00 0.00 O ATOM 1024 CB GLU A 64 36.047 53.820 27.994 1.00 0.00 C ATOM 1025 CG GLU A 64 35.482 54.800 26.970 1.00 0.00 C ATOM 1026 CD GLU A 64 34.988 56.103 27.605 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.708 57.124 27.604 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.835 56.138 28.087 1.00 0.00 O ATOM 0 H GLU A 64 33.905 53.232 29.192 1.00 0.00 H new ATOM 0 HA GLU A 64 35.435 51.996 27.054 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.966 54.274 28.981 1.00 0.00 H new ATOM 0 HB3 GLU A 64 37.110 53.688 27.790 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.250 55.030 26.231 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.658 54.326 26.436 1.00 0.00 H new ATOM 1035 N SER A 65 37.098 50.754 28.548 1.00 0.00 N ATOM 1036 CA SER A 65 37.924 49.838 29.308 1.00 0.00 C ATOM 1037 C SER A 65 39.417 50.062 29.052 1.00 0.00 C ATOM 1038 O SER A 65 39.776 50.576 27.996 1.00 0.00 O ATOM 1039 CB SER A 65 37.591 48.394 28.944 1.00 0.00 C ATOM 1040 OG SER A 65 36.251 48.072 29.238 1.00 0.00 O ATOM 0 H SER A 65 37.309 50.726 27.550 1.00 0.00 H new ATOM 0 HA SER A 65 37.713 50.028 30.360 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.777 48.235 27.882 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.254 47.721 29.488 1.00 0.00 H new ATOM 0 HG SER A 65 35.654 48.644 28.711 1.00 0.00 H new ATOM 1046 N THR A 66 40.288 49.607 29.948 1.00 0.00 N ATOM 1047 CA THR A 66 41.730 49.707 29.843 1.00 0.00 C ATOM 1048 C THR A 66 42.382 48.327 29.739 1.00 0.00 C ATOM 1049 O THR A 66 41.984 47.416 30.462 1.00 0.00 O ATOM 1050 CB THR A 66 42.334 50.450 31.032 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.651 51.658 31.275 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.797 50.832 30.815 1.00 0.00 C ATOM 0 H THR A 66 39.989 49.139 30.803 1.00 0.00 H new ATOM 0 HA THR A 66 41.931 50.270 28.932 1.00 0.00 H new ATOM 0 HB THR A 66 42.248 49.756 31.868 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.056 52.114 32.042 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.170 51.357 31.694 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.388 49.931 30.653 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.878 51.481 29.943 1.00 0.00 H new ATOM 1060 N LEU A 67 43.411 48.178 28.910 1.00 0.00 N ATOM 1061 CA LEU A 67 44.240 46.994 28.817 1.00 0.00 C ATOM 1062 C LEU A 67 45.722 47.344 28.671 1.00 0.00 C ATOM 1063 O LEU A 67 46.068 48.476 28.336 1.00 0.00 O ATOM 1064 CB LEU A 67 43.698 46.055 27.743 1.00 0.00 C ATOM 1065 CG LEU A 67 43.852 46.482 26.286 1.00 0.00 C ATOM 1066 CD1 LEU A 67 45.206 46.107 25.691 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.809 45.784 25.416 1.00 0.00 C ATOM 0 H LEU A 67 43.696 48.912 28.261 1.00 0.00 H new ATOM 0 HA LEU A 67 44.187 46.443 29.756 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.188 45.089 27.863 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.637 45.900 27.937 1.00 0.00 H new ATOM 0 HG LEU A 67 43.738 47.566 26.291 1.00 0.00 H new ATOM 0 HD11 LEU A 67 45.252 46.438 24.654 1.00 0.00 H new ATOM 0 HD12 LEU A 67 46.000 46.589 26.261 1.00 0.00 H new ATOM 0 HD13 LEU A 67 45.335 45.025 25.733 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.931 46.098 24.379 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.941 44.704 25.486 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.810 46.051 25.761 1.00 0.00 H new ATOM 1079 N HIS A 68 46.601 46.374 28.908 1.00 0.00 N ATOM 1080 CA HIS A 68 48.039 46.544 28.940 1.00 0.00 C ATOM 1081 C HIS A 68 48.729 45.812 27.787 1.00 0.00 C ATOM 1082 O HIS A 68 48.377 44.681 27.461 1.00 0.00 O ATOM 1083 CB HIS A 68 48.592 46.049 30.273 1.00 0.00 C ATOM 1084 CG HIS A 68 48.014 46.744 31.477 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.469 47.951 32.003 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.989 46.273 32.256 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.692 48.200 33.061 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.804 47.211 33.252 1.00 0.00 N ATOM 0 H HIS A 68 46.313 45.412 29.089 1.00 0.00 H new ATOM 0 HA HIS A 68 48.246 47.608 28.827 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.401 44.979 30.358 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.674 46.181 30.276 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.438 45.354 32.118 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.768 49.081 33.681 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.114 47.161 34.001 1.00 0.00 H new ATOM 1096 N LEU A 69 49.772 46.428 27.236 1.00 0.00 N ATOM 1097 CA LEU A 69 50.732 45.813 26.342 1.00 0.00 C ATOM 1098 C LEU A 69 51.975 45.379 27.123 1.00 0.00 C ATOM 1099 O LEU A 69 52.486 46.131 27.951 1.00 0.00 O ATOM 1100 CB LEU A 69 51.049 46.821 25.240 1.00 0.00 C ATOM 1101 CG LEU A 69 52.196 46.465 24.299 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.923 45.233 23.442 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.470 47.637 23.360 1.00 0.00 C ATOM 0 H LEU A 69 49.974 47.412 27.412 1.00 0.00 H new ATOM 0 HA LEU A 69 50.329 44.909 25.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.150 46.966 24.642 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.277 47.778 25.709 1.00 0.00 H new ATOM 0 HG LEU A 69 53.052 46.245 24.937 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.781 45.040 22.798 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.753 44.371 24.087 1.00 0.00 H new ATOM 0 HD13 LEU A 69 51.040 45.406 22.827 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.290 47.381 22.688 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.575 47.852 22.775 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.741 48.516 23.945 1.00 0.00 H new ATOM 1115 N VAL A 70 52.489 44.190 26.827 1.00 0.00 N ATOM 1116 CA VAL A 70 53.771 43.676 27.266 1.00 0.00 C ATOM 1117 C VAL A 70 54.535 43.089 26.077 1.00 0.00 C ATOM 1118 O VAL A 70 53.959 42.866 25.015 1.00 0.00 O ATOM 1119 CB VAL A 70 53.624 42.664 28.398 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.000 43.260 29.657 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.794 41.437 28.031 1.00 0.00 C ATOM 0 H VAL A 70 51.988 43.524 26.239 1.00 0.00 H new ATOM 0 HA VAL A 70 54.349 44.507 27.671 1.00 0.00 H new ATOM 0 HB VAL A 70 54.654 42.363 28.588 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.923 42.490 30.424 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.625 44.075 30.022 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.006 43.642 29.425 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.737 40.767 28.889 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.789 41.749 27.747 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.262 40.918 27.195 1.00 0.00 H new ATOM 1131 N LEU A 71 55.827 42.820 26.237 1.00 0.00 N ATOM 1132 CA LEU A 71 56.608 42.110 25.244 1.00 0.00 C ATOM 1133 C LEU A 71 56.089 40.688 25.018 1.00 0.00 C ATOM 1134 O LEU A 71 55.609 40.035 25.941 1.00 0.00 O ATOM 1135 CB LEU A 71 58.080 42.046 25.640 1.00 0.00 C ATOM 1136 CG LEU A 71 58.820 43.372 25.792 1.00 0.00 C ATOM 1137 CD1 LEU A 71 60.282 43.064 26.102 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.778 44.251 24.546 1.00 0.00 C ATOM 0 H LEU A 71 56.359 43.092 27.064 1.00 0.00 H new ATOM 0 HA LEU A 71 56.507 42.671 24.315 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.152 41.509 26.586 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.605 41.450 24.894 1.00 0.00 H new ATOM 0 HG LEU A 71 58.322 43.924 26.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 60.834 43.997 26.216 1.00 0.00 H new ATOM 0 HD12 LEU A 71 60.345 42.490 27.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 60.713 42.485 25.285 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.326 45.175 24.734 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.236 43.721 23.711 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.742 44.487 24.302 1.00 0.00 H new ATOM 1150 N ARG A 72 56.251 40.174 23.802 1.00 0.00 N ATOM 1151 CA ARG A 72 55.961 38.797 23.453 1.00 0.00 C ATOM 1152 C ARG A 72 57.163 37.911 23.782 1.00 0.00 C ATOM 1153 O ARG A 72 58.310 38.320 23.613 1.00 0.00 O ATOM 1154 CB ARG A 72 55.507 38.743 21.997 1.00 0.00 C ATOM 1155 CG ARG A 72 54.584 37.570 21.680 1.00 0.00 C ATOM 1156 CD ARG A 72 54.096 37.648 20.235 1.00 0.00 C ATOM 1157 NE ARG A 72 53.011 36.704 19.971 1.00 0.00 N ATOM 1158 CZ ARG A 72 51.876 36.949 19.301 1.00 0.00 C ATOM 1159 NH1 ARG A 72 51.526 38.163 18.852 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.001 35.975 19.018 1.00 0.00 N ATOM 0 H ARG A 72 56.597 40.723 23.015 1.00 0.00 H new ATOM 0 HA ARG A 72 55.139 38.397 24.047 1.00 0.00 H new ATOM 0 HB2 ARG A 72 54.994 39.673 21.752 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.386 38.685 21.355 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.112 36.630 21.841 1.00 0.00 H new ATOM 0 HG3 ARG A 72 53.731 37.577 22.359 1.00 0.00 H new ATOM 0 HD2 ARG A 72 53.755 38.661 20.022 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.927 37.443 19.560 1.00 0.00 H new ATOM 0 HE ARG A 72 53.130 35.759 20.335 1.00 0.00 H new ATOM 0 HH11 ARG A 72 52.138 38.963 19.015 1.00 0.00 H new ATOM 0 HH12 ARG A 72 50.648 38.287 18.348 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.190 35.017 19.314 1.00 0.00 H new ATOM 0 HH22 ARG A 72 50.145 36.191 18.507 1.00 0.00 H new ATOM 1174 N LEU A 73 56.929 36.697 24.273 1.00 0.00 N ATOM 1175 CA LEU A 73 57.933 35.886 24.931 1.00 0.00 C ATOM 1176 C LEU A 73 58.814 35.053 23.996 1.00 0.00 C ATOM 1177 O LEU A 73 59.665 34.304 24.470 1.00 0.00 O ATOM 1178 CB LEU A 73 57.267 35.030 26.005 1.00 0.00 C ATOM 1179 CG LEU A 73 56.539 35.793 27.108 1.00 0.00 C ATOM 1180 CD1 LEU A 73 55.851 34.811 28.050 1.00 0.00 C ATOM 1181 CD2 LEU A 73 57.478 36.667 27.935 1.00 0.00 C ATOM 0 H LEU A 73 56.016 36.246 24.220 1.00 0.00 H new ATOM 0 HA LEU A 73 58.638 36.579 25.390 1.00 0.00 H new ATOM 0 HB2 LEU A 73 56.555 34.363 25.520 1.00 0.00 H new ATOM 0 HB3 LEU A 73 58.029 34.402 26.466 1.00 0.00 H new ATOM 0 HG LEU A 73 55.814 36.439 26.614 1.00 0.00 H new ATOM 0 HD11 LEU A 73 55.333 35.362 28.835 1.00 0.00 H new ATOM 0 HD12 LEU A 73 55.131 34.214 27.490 1.00 0.00 H new ATOM 0 HD13 LEU A 73 56.596 34.154 28.499 1.00 0.00 H new ATOM 0 HD21 LEU A 73 56.908 37.187 28.705 1.00 0.00 H new ATOM 0 HD22 LEU A 73 58.237 36.042 28.406 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.961 37.397 27.286 1.00 0.00 H new ATOM 1193 N ARG A 74 58.634 35.158 22.683 1.00 0.00 N ATOM 1194 CA ARG A 74 59.317 34.376 21.673 1.00 0.00 C ATOM 1195 C ARG A 74 60.805 34.711 21.553 1.00 0.00 C ATOM 1196 O ARG A 74 61.237 35.792 21.950 1.00 0.00 O ATOM 1197 CB ARG A 74 58.622 34.541 20.324 1.00 0.00 C ATOM 1198 CG ARG A 74 57.117 34.293 20.359 1.00 0.00 C ATOM 1199 CD ARG A 74 56.519 34.047 18.977 1.00 0.00 C ATOM 1200 NE ARG A 74 56.784 35.154 18.057 1.00 0.00 N ATOM 1201 CZ ARG A 74 56.639 35.125 16.725 1.00 0.00 C ATOM 1202 NH1 ARG A 74 56.141 34.059 16.084 1.00 0.00 N ATOM 1203 NH2 ARG A 74 56.996 36.180 15.978 1.00 0.00 N ATOM 0 H ARG A 74 57.975 35.825 22.281 1.00 0.00 H new ATOM 0 HA ARG A 74 59.262 33.335 21.991 1.00 0.00 H new ATOM 0 HB2 ARG A 74 58.804 35.551 19.956 1.00 0.00 H new ATOM 0 HB3 ARG A 74 59.075 33.855 19.609 1.00 0.00 H new ATOM 0 HG2 ARG A 74 56.911 33.433 20.996 1.00 0.00 H new ATOM 0 HG3 ARG A 74 56.624 35.152 20.814 1.00 0.00 H new ATOM 0 HD2 ARG A 74 56.930 33.126 18.563 1.00 0.00 H new ATOM 0 HD3 ARG A 74 55.443 33.902 19.069 1.00 0.00 H new ATOM 0 HE ARG A 74 57.109 36.029 18.468 1.00 0.00 H new ATOM 0 HH11 ARG A 74 55.858 33.233 16.611 1.00 0.00 H new ATOM 0 HH12 ARG A 74 56.045 34.073 15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 74 57.381 37.013 16.423 1.00 0.00 H new ATOM 0 HH22 ARG A 74 56.882 36.149 14.965 1.00 0.00 H new ATOM 1217 N GLY A 75 61.591 33.800 20.988 1.00 0.00 N ATOM 1218 CA GLY A 75 63.010 33.980 20.754 1.00 0.00 C ATOM 1219 C GLY A 75 63.719 32.694 20.324 1.00 0.00 C ATOM 1220 O GLY A 75 63.081 31.737 19.894 1.00 0.00 O ATOM 0 H GLY A 75 61.244 32.894 20.674 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.151 34.739 19.985 1.00 0.00 H new ATOM 0 HA3 GLY A 75 63.477 34.357 21.664 1.00 0.00 H new ATOM 1224 N GLY A 76 65.039 32.660 20.479 1.00 0.00 N ATOM 1225 CA GLY A 76 65.899 31.526 20.204 1.00 0.00 C ATOM 1226 C GLY A 76 66.257 31.363 18.726 1.00 0.00 C ATOM 1227 O GLY A 76 66.907 32.273 18.166 1.00 0.00 O ATOM 1228 OXT GLY A 76 65.947 30.298 18.149 1.00 0.00 O ATOM 0 H GLY A 76 65.560 33.469 20.818 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.818 31.631 20.781 1.00 0.00 H new ATOM 0 HA3 GLY A 76 65.407 30.617 20.551 1.00 0.00 H new TER 1232 GLY A 76