USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 7 THR OG1 : rot -176:sc= 0.251 USER MOD Set 1.2: A 9 THR OG1 : rot -27:sc= 0.221 USER MOD Single : A 1 MET CE :methyl -127:sc=-0.00918 (180deg=-0.218) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.21 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.315 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00494 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.17 K(o=1.2,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 1.3 (180deg=0.712) USER MOD Single : A 31 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.11) USER MOD Single : A 40 GLN : amide:sc= 0.78 K(o=0.78,f=-0.022) USER MOD Single : A 41 GLN : amide:sc= 1.12 K(o=1.1,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.52 K(o=1.5,f=-7.8!) USER MOD Single : A 55 THR OG1 : rot -86:sc= 1.22 USER MOD Single : A 57 SER OG : rot 72:sc= 1.12 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.574 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.14) USER MOD Single : A 65 SER OG : rot 94:sc=0.000391 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 33.243 51.707 19.430 1.00 0.00 N ATOM 2 CA MET A 1 33.414 52.135 20.827 1.00 0.00 C ATOM 3 C MET A 1 34.895 52.364 21.136 1.00 0.00 C ATOM 4 O MET A 1 35.738 51.627 20.631 1.00 0.00 O ATOM 5 CB MET A 1 32.785 51.162 21.821 1.00 0.00 C ATOM 6 CG MET A 1 33.377 49.756 21.788 1.00 0.00 C ATOM 7 SD MET A 1 32.779 48.643 23.084 1.00 0.00 S ATOM 8 CE MET A 1 33.847 47.233 22.704 1.00 0.00 C ATOM 0 H1 MET A 1 32.254 51.425 19.272 1.00 0.00 H new ATOM 0 H2 MET A 1 33.485 52.493 18.794 1.00 0.00 H new ATOM 0 H3 MET A 1 33.868 50.899 19.235 1.00 0.00 H new ATOM 0 HA MET A 1 32.881 53.079 20.944 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.897 51.567 22.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.716 51.098 21.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.160 49.309 20.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.461 49.833 21.868 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.237 46.338 22.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.396 47.430 21.783 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.552 47.080 23.521 1.00 0.00 H new ATOM 20 N GLN A 2 35.211 53.342 21.980 1.00 0.00 N ATOM 21 CA GLN A 2 36.562 53.649 22.405 1.00 0.00 C ATOM 22 C GLN A 2 37.042 52.719 23.521 1.00 0.00 C ATOM 23 O GLN A 2 36.301 52.486 24.473 1.00 0.00 O ATOM 24 CB GLN A 2 36.633 55.101 22.870 1.00 0.00 C ATOM 25 CG GLN A 2 36.470 56.102 21.729 1.00 0.00 C ATOM 26 CD GLN A 2 36.342 57.549 22.209 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.238 57.861 23.393 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.310 58.505 21.284 1.00 0.00 N ATOM 0 H GLN A 2 34.511 53.956 22.395 1.00 0.00 H new ATOM 0 HA GLN A 2 37.222 53.497 21.551 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.856 55.277 23.614 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.590 55.273 23.362 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.327 56.023 21.060 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.586 55.839 21.148 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.395 58.263 20.297 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.200 59.480 21.562 1.00 0.00 H new ATOM 37 N ILE A 3 38.284 52.247 23.461 1.00 0.00 N ATOM 38 CA ILE A 3 38.964 51.544 24.530 1.00 0.00 C ATOM 39 C ILE A 3 40.408 52.024 24.681 1.00 0.00 C ATOM 40 O ILE A 3 40.948 52.673 23.788 1.00 0.00 O ATOM 41 CB ILE A 3 38.880 50.025 24.411 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.815 49.363 23.404 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.451 49.519 24.239 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.712 49.847 21.961 1.00 0.00 C ATOM 0 H ILE A 3 38.863 52.352 22.628 1.00 0.00 H new ATOM 0 HA ILE A 3 38.428 51.795 25.445 1.00 0.00 H new ATOM 0 HB ILE A 3 39.256 49.704 25.383 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.841 49.512 23.742 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.627 48.289 23.418 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.457 48.432 24.160 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.853 49.817 25.100 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.020 49.946 23.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.425 49.302 21.343 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.702 49.672 21.590 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.935 50.913 21.918 1.00 0.00 H new ATOM 56 N PHE A 4 41.047 51.690 25.800 1.00 0.00 N ATOM 57 CA PHE A 4 42.402 52.105 26.100 1.00 0.00 C ATOM 58 C PHE A 4 43.401 50.946 26.107 1.00 0.00 C ATOM 59 O PHE A 4 43.122 49.871 26.632 1.00 0.00 O ATOM 60 CB PHE A 4 42.434 52.814 27.451 1.00 0.00 C ATOM 61 CG PHE A 4 41.573 54.049 27.571 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.883 55.199 26.836 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.482 54.055 28.449 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.116 56.360 26.988 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.714 55.216 28.601 1.00 0.00 C ATOM 66 CZ PHE A 4 40.030 56.368 27.871 1.00 0.00 C ATOM 0 H PHE A 4 40.626 51.115 26.530 1.00 0.00 H new ATOM 0 HA PHE A 4 42.708 52.782 25.302 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.126 52.104 28.219 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.465 53.092 27.669 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.717 55.191 26.149 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.233 53.165 29.008 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.362 57.248 26.425 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.876 55.223 29.283 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.436 57.262 27.989 1.00 0.00 H new ATOM 76 N VAL A 5 44.605 51.209 25.610 1.00 0.00 N ATOM 77 CA VAL A 5 45.772 50.361 25.756 1.00 0.00 C ATOM 78 C VAL A 5 46.872 51.156 26.463 1.00 0.00 C ATOM 79 O VAL A 5 47.152 52.292 26.087 1.00 0.00 O ATOM 80 CB VAL A 5 46.225 49.813 24.407 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.440 48.901 24.557 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.122 48.996 23.740 1.00 0.00 C ATOM 0 H VAL A 5 44.797 52.055 25.073 1.00 0.00 H new ATOM 0 HA VAL A 5 45.526 49.492 26.366 1.00 0.00 H new ATOM 0 HB VAL A 5 46.476 50.680 23.795 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.738 48.527 23.577 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.264 49.462 24.997 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.187 48.061 25.204 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.477 48.620 22.781 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.852 48.157 24.381 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.247 49.627 23.581 1.00 0.00 H new ATOM 92 N LYS A 6 47.478 50.585 27.501 1.00 0.00 N ATOM 93 CA LYS A 6 48.443 51.236 28.363 1.00 0.00 C ATOM 94 C LYS A 6 49.761 50.466 28.459 1.00 0.00 C ATOM 95 O LYS A 6 49.754 49.240 28.546 1.00 0.00 O ATOM 96 CB LYS A 6 47.799 51.491 29.723 1.00 0.00 C ATOM 97 CG LYS A 6 48.493 52.600 30.508 1.00 0.00 C ATOM 98 CD LYS A 6 47.669 53.011 31.725 1.00 0.00 C ATOM 99 CE LYS A 6 48.276 54.251 32.374 1.00 0.00 C ATOM 100 NZ LYS A 6 47.447 54.744 33.483 1.00 0.00 N ATOM 0 H LYS A 6 47.298 49.618 27.770 1.00 0.00 H new ATOM 0 HA LYS A 6 48.719 52.195 27.925 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.751 51.755 29.580 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.819 50.571 30.308 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.478 52.261 30.830 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.649 53.464 29.862 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.641 53.214 31.426 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.636 52.193 32.445 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.275 54.017 32.742 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.388 55.036 31.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.891 55.587 33.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.502 54.990 33.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.361 54.004 34.208 1.00 0.00 H new ATOM 114 N THR A 7 50.890 51.171 28.427 1.00 0.00 N ATOM 115 CA THR A 7 52.218 50.595 28.367 1.00 0.00 C ATOM 116 C THR A 7 52.906 50.520 29.731 1.00 0.00 C ATOM 117 O THR A 7 52.412 51.066 30.714 1.00 0.00 O ATOM 118 CB THR A 7 53.102 51.338 27.369 1.00 0.00 C ATOM 119 OG1 THR A 7 53.478 52.591 27.894 1.00 0.00 O ATOM 120 CG2 THR A 7 52.426 51.552 26.018 1.00 0.00 C ATOM 0 H THR A 7 50.898 52.191 28.443 1.00 0.00 H new ATOM 0 HA THR A 7 52.080 49.570 28.024 1.00 0.00 H new ATOM 0 HB THR A 7 53.977 50.710 27.206 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.993 53.086 27.223 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.104 52.085 25.352 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.173 50.586 25.581 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.517 52.138 26.155 1.00 0.00 H new ATOM 128 N LEU A 8 54.070 49.878 29.799 1.00 0.00 N ATOM 129 CA LEU A 8 54.882 49.791 30.997 1.00 0.00 C ATOM 130 C LEU A 8 55.470 51.123 31.467 1.00 0.00 C ATOM 131 O LEU A 8 55.861 51.228 32.627 1.00 0.00 O ATOM 132 CB LEU A 8 55.990 48.758 30.804 1.00 0.00 C ATOM 133 CG LEU A 8 55.532 47.310 30.665 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.757 46.406 30.556 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.710 46.810 31.850 1.00 0.00 C ATOM 0 H LEU A 8 54.479 49.394 29.000 1.00 0.00 H new ATOM 0 HA LEU A 8 54.205 49.478 31.792 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.559 49.026 29.914 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.673 48.823 31.651 1.00 0.00 H new ATOM 0 HG LEU A 8 54.902 47.277 29.776 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.436 45.369 30.456 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.342 46.690 29.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.368 46.512 31.452 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.420 45.773 31.680 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.306 46.875 32.760 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.816 47.424 31.957 1.00 0.00 H new ATOM 147 N THR A 9 55.501 52.154 30.628 1.00 0.00 N ATOM 148 CA THR A 9 55.860 53.507 31.004 1.00 0.00 C ATOM 149 C THR A 9 54.662 54.332 31.477 1.00 0.00 C ATOM 150 O THR A 9 54.800 55.512 31.793 1.00 0.00 O ATOM 151 CB THR A 9 56.570 54.239 29.868 1.00 0.00 C ATOM 152 OG1 THR A 9 55.682 54.459 28.795 1.00 0.00 O ATOM 153 CG2 THR A 9 57.762 53.468 29.308 1.00 0.00 C ATOM 0 H THR A 9 55.269 52.062 29.639 1.00 0.00 H new ATOM 0 HA THR A 9 56.545 53.404 31.845 1.00 0.00 H new ATOM 0 HB THR A 9 56.924 55.174 30.301 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.990 53.765 28.795 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.222 54.043 28.504 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.493 53.302 30.100 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.424 52.507 28.919 1.00 0.00 H new ATOM 161 N GLY A 10 53.469 53.745 31.527 1.00 0.00 N ATOM 162 CA GLY A 10 52.232 54.402 31.893 1.00 0.00 C ATOM 163 C GLY A 10 51.605 55.249 30.784 1.00 0.00 C ATOM 164 O GLY A 10 50.595 55.901 31.041 1.00 0.00 O ATOM 0 H GLY A 10 53.340 52.758 31.303 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.512 53.645 32.204 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.417 55.039 32.758 1.00 0.00 H new ATOM 168 N LYS A 11 52.157 55.247 29.574 1.00 0.00 N ATOM 169 CA LYS A 11 51.587 55.935 28.434 1.00 0.00 C ATOM 170 C LYS A 11 50.274 55.258 28.033 1.00 0.00 C ATOM 171 O LYS A 11 50.259 54.042 27.856 1.00 0.00 O ATOM 172 CB LYS A 11 52.593 55.936 27.287 1.00 0.00 C ATOM 173 CG LYS A 11 52.143 56.638 26.008 1.00 0.00 C ATOM 174 CD LYS A 11 51.876 58.128 26.201 1.00 0.00 C ATOM 175 CE LYS A 11 51.625 58.802 24.856 1.00 0.00 C ATOM 176 NZ LYS A 11 51.648 60.269 24.974 1.00 0.00 N ATOM 0 H LYS A 11 53.026 54.758 29.361 1.00 0.00 H new ATOM 0 HA LYS A 11 51.366 56.971 28.690 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.511 56.409 27.635 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.839 54.902 27.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.908 56.509 25.242 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.237 56.158 25.638 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.013 58.268 26.852 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.727 58.595 26.696 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.382 58.482 24.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.660 58.483 24.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.474 60.695 24.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 50.909 60.575 25.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.578 60.574 25.326 1.00 0.00 H new ATOM 190 N THR A 12 49.203 56.031 27.878 1.00 0.00 N ATOM 191 CA THR A 12 47.905 55.553 27.447 1.00 0.00 C ATOM 192 C THR A 12 47.653 55.938 25.988 1.00 0.00 C ATOM 193 O THR A 12 47.929 57.066 25.588 1.00 0.00 O ATOM 194 CB THR A 12 46.789 56.081 28.343 1.00 0.00 C ATOM 195 OG1 THR A 12 47.052 55.768 29.693 1.00 0.00 O ATOM 196 CG2 THR A 12 45.425 55.471 28.034 1.00 0.00 C ATOM 0 H THR A 12 49.221 57.035 28.055 1.00 0.00 H new ATOM 0 HA THR A 12 47.905 54.466 27.528 1.00 0.00 H new ATOM 0 HB THR A 12 46.762 57.155 28.157 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.329 56.114 30.256 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.678 55.890 28.708 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.151 55.696 27.003 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.470 54.390 28.170 1.00 0.00 H new ATOM 204 N ILE A 13 47.119 55.005 25.203 1.00 0.00 N ATOM 205 CA ILE A 13 46.737 55.171 23.816 1.00 0.00 C ATOM 206 C ILE A 13 45.267 54.769 23.677 1.00 0.00 C ATOM 207 O ILE A 13 44.870 53.703 24.141 1.00 0.00 O ATOM 208 CB ILE A 13 47.649 54.360 22.900 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.130 54.696 23.036 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.245 54.586 21.445 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.893 53.846 24.050 1.00 0.00 C ATOM 0 H ILE A 13 46.934 54.062 25.544 1.00 0.00 H new ATOM 0 HA ILE A 13 46.850 56.211 23.511 1.00 0.00 H new ATOM 0 HB ILE A 13 47.523 53.321 23.204 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.604 54.584 22.061 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.225 55.745 23.318 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.897 54.006 20.792 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.212 54.269 21.301 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.337 55.645 21.202 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.937 54.159 24.075 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.451 53.975 25.038 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.836 52.797 23.761 1.00 0.00 H new ATOM 223 N THR A 14 44.460 55.603 23.028 1.00 0.00 N ATOM 224 CA THR A 14 43.083 55.300 22.688 1.00 0.00 C ATOM 225 C THR A 14 43.016 54.630 21.316 1.00 0.00 C ATOM 226 O THR A 14 43.715 55.029 20.386 1.00 0.00 O ATOM 227 CB THR A 14 42.192 56.539 22.721 1.00 0.00 C ATOM 228 OG1 THR A 14 42.329 57.211 23.954 1.00 0.00 O ATOM 229 CG2 THR A 14 40.712 56.197 22.576 1.00 0.00 C ATOM 0 H THR A 14 44.757 56.529 22.719 1.00 0.00 H new ATOM 0 HA THR A 14 42.703 54.613 23.445 1.00 0.00 H new ATOM 0 HB THR A 14 42.512 57.158 21.883 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.943 56.664 24.669 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.122 57.113 22.606 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.547 55.690 21.625 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.408 55.543 23.393 1.00 0.00 H new ATOM 237 N LEU A 15 42.148 53.631 21.183 1.00 0.00 N ATOM 238 CA LEU A 15 41.675 53.092 19.925 1.00 0.00 C ATOM 239 C LEU A 15 40.146 53.033 19.913 1.00 0.00 C ATOM 240 O LEU A 15 39.508 53.169 20.955 1.00 0.00 O ATOM 241 CB LEU A 15 42.278 51.709 19.696 1.00 0.00 C ATOM 242 CG LEU A 15 43.765 51.677 19.355 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.183 50.221 19.175 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.086 52.423 18.062 1.00 0.00 C ATOM 0 H LEU A 15 41.741 53.158 21.990 1.00 0.00 H new ATOM 0 HA LEU A 15 41.992 53.746 19.113 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.118 51.111 20.593 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.730 51.224 18.888 1.00 0.00 H new ATOM 0 HG LEU A 15 44.303 52.165 20.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.244 50.175 18.930 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.999 49.673 20.099 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.604 49.774 18.367 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.157 52.369 17.867 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.543 51.967 17.234 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.788 53.467 18.160 1.00 0.00 H new ATOM 256 N GLU A 16 39.555 52.762 18.752 1.00 0.00 N ATOM 257 CA GLU A 16 38.174 52.331 18.664 1.00 0.00 C ATOM 258 C GLU A 16 37.962 51.096 17.787 1.00 0.00 C ATOM 259 O GLU A 16 38.593 50.931 16.745 1.00 0.00 O ATOM 260 CB GLU A 16 37.244 53.485 18.296 1.00 0.00 C ATOM 261 CG GLU A 16 37.462 54.082 16.909 1.00 0.00 C ATOM 262 CD GLU A 16 36.537 55.286 16.719 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.322 55.081 16.514 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.020 56.434 16.820 1.00 0.00 O ATOM 0 H GLU A 16 40.025 52.837 17.850 1.00 0.00 H new ATOM 0 HA GLU A 16 37.901 52.004 19.667 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.214 53.136 18.365 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.363 54.276 19.037 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.502 54.387 16.792 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.262 53.332 16.143 1.00 0.00 H new ATOM 271 N VAL A 17 37.072 50.216 18.238 1.00 0.00 N ATOM 272 CA VAL A 17 36.649 48.989 17.594 1.00 0.00 C ATOM 273 C VAL A 17 35.195 48.680 17.954 1.00 0.00 C ATOM 274 O VAL A 17 34.622 49.329 18.827 1.00 0.00 O ATOM 275 CB VAL A 17 37.543 47.809 17.967 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.843 47.758 17.168 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.888 47.726 19.451 1.00 0.00 C ATOM 0 H VAL A 17 36.596 50.358 19.129 1.00 0.00 H new ATOM 0 HA VAL A 17 36.734 49.138 16.518 1.00 0.00 H new ATOM 0 HB VAL A 17 36.925 46.949 17.710 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.430 46.896 17.483 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.614 47.672 16.106 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.414 48.670 17.344 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.526 46.860 19.628 1.00 0.00 H new ATOM 0 HG22 VAL A 17 38.414 48.632 19.754 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.971 47.627 20.033 1.00 0.00 H new ATOM 287 N GLU A 18 34.579 47.695 17.307 1.00 0.00 N ATOM 288 CA GLU A 18 33.280 47.173 17.678 1.00 0.00 C ATOM 289 C GLU A 18 33.391 46.022 18.680 1.00 0.00 C ATOM 290 O GLU A 18 34.408 45.331 18.695 1.00 0.00 O ATOM 291 CB GLU A 18 32.514 46.699 16.447 1.00 0.00 C ATOM 292 CG GLU A 18 32.412 47.713 15.311 1.00 0.00 C ATOM 293 CD GLU A 18 31.884 49.079 15.757 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.843 49.162 16.445 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.503 50.098 15.384 1.00 0.00 O ATOM 0 H GLU A 18 34.983 47.232 16.493 1.00 0.00 H new ATOM 0 HA GLU A 18 32.737 47.990 18.153 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.994 45.798 16.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.506 46.418 16.753 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.396 47.842 14.861 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.757 47.314 14.537 1.00 0.00 H new ATOM 302 N PRO A 19 32.354 45.699 19.448 1.00 0.00 N ATOM 303 CA PRO A 19 32.311 44.495 20.252 1.00 0.00 C ATOM 304 C PRO A 19 32.517 43.188 19.483 1.00 0.00 C ATOM 305 O PRO A 19 32.839 42.170 20.094 1.00 0.00 O ATOM 306 CB PRO A 19 30.947 44.497 20.936 1.00 0.00 C ATOM 307 CG PRO A 19 30.590 45.978 21.009 1.00 0.00 C ATOM 308 CD PRO A 19 31.191 46.520 19.715 1.00 0.00 C ATOM 0 HA PRO A 19 33.147 44.520 20.951 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.210 43.934 20.364 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.994 44.046 21.927 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.512 46.135 21.054 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.019 46.457 21.889 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.474 46.461 18.896 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.468 47.569 19.821 1.00 0.00 H new ATOM 316 N SER A 20 32.307 43.185 18.170 1.00 0.00 N ATOM 317 CA SER A 20 32.531 42.065 17.280 1.00 0.00 C ATOM 318 C SER A 20 33.904 42.035 16.605 1.00 0.00 C ATOM 319 O SER A 20 34.205 41.082 15.891 1.00 0.00 O ATOM 320 CB SER A 20 31.434 42.018 16.220 1.00 0.00 C ATOM 321 OG SER A 20 31.342 43.245 15.531 1.00 0.00 O ATOM 0 H SER A 20 31.958 44.008 17.679 1.00 0.00 H new ATOM 0 HA SER A 20 32.502 41.181 17.917 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.641 41.215 15.513 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.478 41.789 16.691 1.00 0.00 H new ATOM 0 HG SER A 20 30.633 43.189 14.856 1.00 0.00 H new ATOM 327 N ASP A 21 34.764 43.029 16.810 1.00 0.00 N ATOM 328 CA ASP A 21 36.141 42.958 16.365 1.00 0.00 C ATOM 329 C ASP A 21 36.953 41.965 17.198 1.00 0.00 C ATOM 330 O ASP A 21 36.639 41.704 18.358 1.00 0.00 O ATOM 331 CB ASP A 21 36.794 44.337 16.393 1.00 0.00 C ATOM 332 CG ASP A 21 36.489 45.138 15.126 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.972 46.274 15.199 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.808 44.632 14.028 1.00 0.00 O ATOM 0 H ASP A 21 34.522 43.898 17.286 1.00 0.00 H new ATOM 0 HA ASP A 21 36.131 42.599 15.336 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.441 44.888 17.265 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.873 44.226 16.501 1.00 0.00 H new ATOM 339 N THR A 22 38.020 41.431 16.611 1.00 0.00 N ATOM 340 CA THR A 22 38.955 40.546 17.276 1.00 0.00 C ATOM 341 C THR A 22 40.124 41.302 17.911 1.00 0.00 C ATOM 342 O THR A 22 40.435 42.432 17.538 1.00 0.00 O ATOM 343 CB THR A 22 39.476 39.456 16.344 1.00 0.00 C ATOM 344 OG1 THR A 22 40.189 40.028 15.270 1.00 0.00 O ATOM 345 CG2 THR A 22 38.365 38.585 15.767 1.00 0.00 C ATOM 0 H THR A 22 38.259 41.610 15.636 1.00 0.00 H new ATOM 0 HA THR A 22 38.392 40.068 18.077 1.00 0.00 H new ATOM 0 HB THR A 22 40.125 38.825 16.952 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.519 39.318 14.681 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.798 37.829 15.112 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.827 38.097 16.579 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.675 39.206 15.196 1.00 0.00 H new ATOM 353 N ILE A 23 40.832 40.660 18.836 1.00 0.00 N ATOM 354 CA ILE A 23 42.043 41.211 19.412 1.00 0.00 C ATOM 355 C ILE A 23 43.144 41.375 18.362 1.00 0.00 C ATOM 356 O ILE A 23 43.919 42.326 18.433 1.00 0.00 O ATOM 357 CB ILE A 23 42.488 40.375 20.609 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.403 40.129 21.653 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.717 40.975 21.286 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.736 41.370 22.239 1.00 0.00 C ATOM 0 H ILE A 23 40.578 39.743 19.204 1.00 0.00 H new ATOM 0 HA ILE A 23 41.828 42.215 19.778 1.00 0.00 H new ATOM 0 HB ILE A 23 42.734 39.403 20.181 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.630 39.505 21.203 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.839 39.556 22.471 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.005 40.353 22.134 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.540 41.020 20.573 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.485 41.981 21.636 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.984 41.069 22.968 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.487 41.990 22.728 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.260 41.939 21.440 1.00 0.00 H new ATOM 372 N GLU A 24 43.174 40.551 17.318 1.00 0.00 N ATOM 373 CA GLU A 24 43.999 40.780 16.149 1.00 0.00 C ATOM 374 C GLU A 24 43.701 42.112 15.458 1.00 0.00 C ATOM 375 O GLU A 24 44.638 42.831 15.118 1.00 0.00 O ATOM 376 CB GLU A 24 43.830 39.604 15.193 1.00 0.00 C ATOM 377 CG GLU A 24 44.534 39.792 13.853 1.00 0.00 C ATOM 378 CD GLU A 24 44.534 38.493 13.046 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.513 38.168 12.402 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.568 37.789 13.063 1.00 0.00 O ATOM 0 H GLU A 24 42.618 39.698 17.265 1.00 0.00 H new ATOM 0 HA GLU A 24 45.038 40.850 16.472 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.213 38.702 15.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.767 39.443 15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.037 40.578 13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.560 40.120 14.020 1.00 0.00 H new ATOM 387 N ASN A 25 42.437 42.502 15.319 1.00 0.00 N ATOM 388 CA ASN A 25 42.079 43.801 14.785 1.00 0.00 C ATOM 389 C ASN A 25 42.539 44.940 15.696 1.00 0.00 C ATOM 390 O ASN A 25 42.898 46.001 15.191 1.00 0.00 O ATOM 391 CB ASN A 25 40.585 43.872 14.482 1.00 0.00 C ATOM 392 CG ASN A 25 40.129 42.992 13.316 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.895 42.267 12.685 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.845 43.023 12.970 1.00 0.00 N ATOM 0 H ASN A 25 41.637 41.923 15.575 1.00 0.00 H new ATOM 0 HA ASN A 25 42.610 43.930 13.842 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.032 43.583 15.376 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.321 44.907 14.264 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.512 42.452 12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.193 43.618 13.481 1.00 0.00 H new ATOM 401 N VAL A 26 42.619 44.738 17.008 1.00 0.00 N ATOM 402 CA VAL A 26 43.201 45.701 17.922 1.00 0.00 C ATOM 403 C VAL A 26 44.716 45.797 17.730 1.00 0.00 C ATOM 404 O VAL A 26 45.234 46.902 17.588 1.00 0.00 O ATOM 405 CB VAL A 26 42.828 45.415 19.373 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.398 46.465 20.322 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.315 45.418 19.572 1.00 0.00 C ATOM 0 H VAL A 26 42.277 43.893 17.465 1.00 0.00 H new ATOM 0 HA VAL A 26 42.776 46.675 17.681 1.00 0.00 H new ATOM 0 HB VAL A 26 43.246 44.433 19.596 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.110 46.225 21.345 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.485 46.474 20.244 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.007 47.447 20.056 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.085 45.211 20.617 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.914 46.394 19.299 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.864 44.651 18.942 1.00 0.00 H new ATOM 417 N LYS A 27 45.428 44.678 17.626 1.00 0.00 N ATOM 418 CA LYS A 27 46.851 44.668 17.354 1.00 0.00 C ATOM 419 C LYS A 27 47.200 45.355 16.032 1.00 0.00 C ATOM 420 O LYS A 27 48.166 46.113 15.971 1.00 0.00 O ATOM 421 CB LYS A 27 47.404 43.245 17.331 1.00 0.00 C ATOM 422 CG LYS A 27 47.507 42.567 18.695 1.00 0.00 C ATOM 423 CD LYS A 27 48.158 41.194 18.552 1.00 0.00 C ATOM 424 CE LYS A 27 48.561 40.612 19.904 1.00 0.00 C ATOM 425 NZ LYS A 27 49.104 39.252 19.763 1.00 0.00 N ATOM 0 H LYS A 27 45.024 43.747 17.730 1.00 0.00 H new ATOM 0 HA LYS A 27 47.312 45.228 18.167 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.770 42.636 16.687 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.395 43.264 16.877 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.093 43.187 19.374 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.515 42.463 19.134 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.466 40.514 18.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.038 41.274 17.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.306 41.256 20.372 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.695 40.593 20.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.400 38.898 20.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.373 38.625 19.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.924 39.270 19.124 1.00 0.00 H new ATOM 439 N ALA A 28 46.400 45.137 14.993 1.00 0.00 N ATOM 440 CA ALA A 28 46.566 45.765 13.697 1.00 0.00 C ATOM 441 C ALA A 28 46.394 47.285 13.731 1.00 0.00 C ATOM 442 O ALA A 28 47.061 47.980 12.967 1.00 0.00 O ATOM 443 CB ALA A 28 45.589 45.111 12.723 1.00 0.00 C ATOM 0 H ALA A 28 45.602 44.504 15.035 1.00 0.00 H new ATOM 0 HA ALA A 28 47.593 45.609 13.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.695 45.568 11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.804 44.045 12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.569 45.253 13.080 1.00 0.00 H new ATOM 449 N LYS A 29 45.574 47.809 14.638 1.00 0.00 N ATOM 450 CA LYS A 29 45.413 49.231 14.864 1.00 0.00 C ATOM 451 C LYS A 29 46.525 49.833 15.726 1.00 0.00 C ATOM 452 O LYS A 29 46.989 50.930 15.426 1.00 0.00 O ATOM 453 CB LYS A 29 44.032 49.513 15.450 1.00 0.00 C ATOM 454 CG LYS A 29 42.922 49.304 14.425 1.00 0.00 C ATOM 455 CD LYS A 29 41.557 49.721 14.964 1.00 0.00 C ATOM 456 CE LYS A 29 40.461 49.288 13.994 1.00 0.00 C ATOM 457 NZ LYS A 29 39.210 50.027 14.219 1.00 0.00 N ATOM 0 H LYS A 29 44.991 47.237 15.249 1.00 0.00 H new ATOM 0 HA LYS A 29 45.495 49.725 13.896 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.862 48.861 16.307 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.997 50.538 15.818 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.147 49.878 13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.891 48.254 14.134 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.389 49.269 15.942 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.526 50.802 15.103 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.798 49.447 12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.277 48.219 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.404 49.447 13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.112 50.244 15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.228 50.913 13.675 1.00 0.00 H new ATOM 471 N ILE A 30 47.041 49.111 16.717 1.00 0.00 N ATOM 472 CA ILE A 30 48.257 49.485 17.410 1.00 0.00 C ATOM 473 C ILE A 30 49.429 49.578 16.431 1.00 0.00 C ATOM 474 O ILE A 30 50.204 50.529 16.512 1.00 0.00 O ATOM 475 CB ILE A 30 48.557 48.546 18.575 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.533 48.614 19.704 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.951 48.772 19.152 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.487 49.916 20.500 1.00 0.00 C ATOM 0 H ILE A 30 46.621 48.247 17.059 1.00 0.00 H new ATOM 0 HA ILE A 30 48.107 50.474 17.842 1.00 0.00 H new ATOM 0 HB ILE A 30 48.500 47.549 18.137 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.544 48.437 19.280 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.733 47.797 20.397 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.119 48.081 19.978 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.698 48.599 18.377 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.033 49.797 19.513 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.722 49.843 21.273 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.457 50.093 20.965 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.250 50.743 19.831 1.00 0.00 H new ATOM 490 N GLN A 31 49.535 48.678 15.458 1.00 0.00 N ATOM 491 CA GLN A 31 50.505 48.807 14.389 1.00 0.00 C ATOM 492 C GLN A 31 50.282 50.076 13.563 1.00 0.00 C ATOM 493 O GLN A 31 51.234 50.804 13.289 1.00 0.00 O ATOM 494 CB GLN A 31 50.500 47.557 13.515 1.00 0.00 C ATOM 495 CG GLN A 31 51.681 47.566 12.549 1.00 0.00 C ATOM 496 CD GLN A 31 51.850 46.252 11.784 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.911 45.493 11.551 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.079 45.917 11.402 1.00 0.00 N ATOM 0 H GLN A 31 48.951 47.844 15.393 1.00 0.00 H new ATOM 0 HA GLN A 31 51.492 48.903 14.841 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.546 46.668 14.144 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.567 47.503 12.955 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.551 48.379 11.835 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.595 47.774 13.106 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.861 46.543 11.593 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.240 45.034 10.918 1.00 0.00 H new ATOM 507 N ASP A 32 49.040 50.386 13.205 1.00 0.00 N ATOM 508 CA ASP A 32 48.710 51.526 12.375 1.00 0.00 C ATOM 509 C ASP A 32 49.062 52.888 12.977 1.00 0.00 C ATOM 510 O ASP A 32 49.488 53.759 12.222 1.00 0.00 O ATOM 511 CB ASP A 32 47.240 51.440 11.974 1.00 0.00 C ATOM 512 CG ASP A 32 46.860 52.483 10.922 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.505 52.535 9.853 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.903 53.250 11.165 1.00 0.00 O ATOM 0 H ASP A 32 48.227 49.841 13.491 1.00 0.00 H new ATOM 0 HA ASP A 32 49.345 51.467 11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.030 50.443 11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.617 51.576 12.858 1.00 0.00 H new ATOM 519 N LYS A 33 48.987 53.077 14.291 1.00 0.00 N ATOM 520 CA LYS A 33 49.438 54.284 14.953 1.00 0.00 C ATOM 521 C LYS A 33 50.816 54.226 15.616 1.00 0.00 C ATOM 522 O LYS A 33 51.607 55.143 15.403 1.00 0.00 O ATOM 523 CB LYS A 33 48.358 54.897 15.838 1.00 0.00 C ATOM 524 CG LYS A 33 47.714 54.026 16.913 1.00 0.00 C ATOM 525 CD LYS A 33 46.854 54.836 17.881 1.00 0.00 C ATOM 526 CE LYS A 33 45.703 55.589 17.221 1.00 0.00 C ATOM 527 NZ LYS A 33 44.917 56.360 18.198 1.00 0.00 N ATOM 0 H LYS A 33 48.604 52.381 14.931 1.00 0.00 H new ATOM 0 HA LYS A 33 49.614 54.977 14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.789 55.768 16.332 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.563 55.261 15.187 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.099 53.262 16.437 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.493 53.507 17.471 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.447 54.164 18.636 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.490 55.552 18.401 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.099 56.263 16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.052 54.880 16.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.125 56.829 17.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.546 55.719 18.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.524 57.077 18.643 1.00 0.00 H new ATOM 541 N GLU A 34 51.168 53.186 16.365 1.00 0.00 N ATOM 542 CA GLU A 34 52.422 53.099 17.085 1.00 0.00 C ATOM 543 C GLU A 34 53.557 52.425 16.311 1.00 0.00 C ATOM 544 O GLU A 34 54.712 52.534 16.715 1.00 0.00 O ATOM 545 CB GLU A 34 52.226 52.399 18.427 1.00 0.00 C ATOM 546 CG GLU A 34 51.331 53.143 19.413 1.00 0.00 C ATOM 547 CD GLU A 34 51.913 54.509 19.782 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.924 54.572 20.515 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.383 55.544 19.323 1.00 0.00 O ATOM 0 H GLU A 34 50.573 52.366 16.487 1.00 0.00 H new ATOM 0 HA GLU A 34 52.733 54.133 17.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.802 51.411 18.247 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.202 52.247 18.887 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.340 53.274 18.978 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.206 52.544 20.315 1.00 0.00 H new ATOM 556 N GLY A 35 53.251 51.731 15.218 1.00 0.00 N ATOM 557 CA GLY A 35 54.229 51.062 14.384 1.00 0.00 C ATOM 558 C GLY A 35 54.755 49.730 14.923 1.00 0.00 C ATOM 559 O GLY A 35 55.726 49.204 14.385 1.00 0.00 O ATOM 0 H GLY A 35 52.293 51.619 14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.786 50.887 13.404 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.075 51.734 14.236 1.00 0.00 H new ATOM 563 N ILE A 36 54.143 49.169 15.963 1.00 0.00 N ATOM 564 CA ILE A 36 54.582 47.954 16.619 1.00 0.00 C ATOM 565 C ILE A 36 54.008 46.742 15.883 1.00 0.00 C ATOM 566 O ILE A 36 52.786 46.631 15.812 1.00 0.00 O ATOM 567 CB ILE A 36 54.176 47.942 18.089 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.606 49.208 18.826 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.750 46.712 18.784 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.057 49.335 20.244 1.00 0.00 C ATOM 0 H ILE A 36 53.301 49.565 16.381 1.00 0.00 H new ATOM 0 HA ILE A 36 55.671 47.910 16.584 1.00 0.00 H new ATOM 0 HB ILE A 36 53.087 47.906 18.119 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.695 49.236 18.868 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.287 50.075 18.248 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.453 46.715 19.833 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.370 45.811 18.302 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.838 46.729 18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.414 50.263 20.690 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.967 49.342 20.213 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.397 48.490 20.843 1.00 0.00 H new ATOM 582 N PRO A 37 54.806 45.804 15.382 1.00 0.00 N ATOM 583 CA PRO A 37 54.292 44.615 14.734 1.00 0.00 C ATOM 584 C PRO A 37 53.429 43.756 15.662 1.00 0.00 C ATOM 585 O PRO A 37 53.843 43.533 16.797 1.00 0.00 O ATOM 586 CB PRO A 37 55.506 43.831 14.246 1.00 0.00 C ATOM 587 CG PRO A 37 56.594 44.894 14.127 1.00 0.00 C ATOM 588 CD PRO A 37 56.250 45.842 15.271 1.00 0.00 C ATOM 0 HA PRO A 37 53.635 44.900 13.912 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.786 43.047 14.949 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.312 43.346 13.289 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.592 44.469 14.237 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.567 45.397 13.160 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.724 45.525 16.200 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.601 46.853 15.063 1.00 0.00 H new ATOM 596 N PRO A 38 52.287 43.230 15.228 1.00 0.00 N ATOM 597 CA PRO A 38 51.441 42.350 16.010 1.00 0.00 C ATOM 598 C PRO A 38 52.173 41.180 16.671 1.00 0.00 C ATOM 599 O PRO A 38 51.882 40.860 17.822 1.00 0.00 O ATOM 600 CB PRO A 38 50.360 41.864 15.049 1.00 0.00 C ATOM 601 CG PRO A 38 50.179 43.068 14.129 1.00 0.00 C ATOM 602 CD PRO A 38 51.605 43.595 14.003 1.00 0.00 C ATOM 0 HA PRO A 38 51.034 42.898 16.859 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.673 40.976 14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.438 41.608 15.570 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.763 42.783 13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.507 43.811 14.558 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.104 43.161 13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.608 44.676 13.864 1.00 0.00 H new ATOM 610 N ASP A 39 53.180 40.607 16.018 1.00 0.00 N ATOM 611 CA ASP A 39 54.044 39.571 16.546 1.00 0.00 C ATOM 612 C ASP A 39 54.764 39.957 17.841 1.00 0.00 C ATOM 613 O ASP A 39 55.005 39.104 18.691 1.00 0.00 O ATOM 614 CB ASP A 39 55.092 39.237 15.489 1.00 0.00 C ATOM 615 CG ASP A 39 56.080 38.181 15.991 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.748 36.978 15.920 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.184 38.550 16.444 1.00 0.00 O ATOM 0 H ASP A 39 53.422 40.869 15.062 1.00 0.00 H new ATOM 0 HA ASP A 39 53.406 38.720 16.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.598 38.875 14.587 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.634 40.142 15.214 1.00 0.00 H new ATOM 622 N GLN A 40 55.092 41.235 18.012 1.00 0.00 N ATOM 623 CA GLN A 40 55.800 41.759 19.162 1.00 0.00 C ATOM 624 C GLN A 40 54.865 42.218 20.284 1.00 0.00 C ATOM 625 O GLN A 40 55.331 42.451 21.397 1.00 0.00 O ATOM 626 CB GLN A 40 56.707 42.899 18.710 1.00 0.00 C ATOM 627 CG GLN A 40 57.797 42.473 17.731 1.00 0.00 C ATOM 628 CD GLN A 40 58.826 41.545 18.379 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.669 41.979 19.161 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.791 40.241 18.118 1.00 0.00 N ATOM 0 H GLN A 40 54.861 41.954 17.326 1.00 0.00 H new ATOM 0 HA GLN A 40 56.396 40.950 19.584 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.097 43.673 18.244 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.175 43.347 19.587 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.341 41.968 16.879 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.302 43.358 17.344 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.096 39.869 17.471 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.459 39.613 18.565 1.00 0.00 H new ATOM 639 N GLN A 41 53.568 42.337 20.016 1.00 0.00 N ATOM 640 CA GLN A 41 52.581 42.802 20.969 1.00 0.00 C ATOM 641 C GLN A 41 52.017 41.638 21.787 1.00 0.00 C ATOM 642 O GLN A 41 51.511 40.678 21.211 1.00 0.00 O ATOM 643 CB GLN A 41 51.428 43.495 20.249 1.00 0.00 C ATOM 644 CG GLN A 41 51.790 44.747 19.452 1.00 0.00 C ATOM 645 CD GLN A 41 50.556 45.308 18.743 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.467 45.376 19.307 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.646 45.718 17.481 1.00 0.00 N ATOM 0 H GLN A 41 53.170 42.105 19.106 1.00 0.00 H new ATOM 0 HA GLN A 41 53.078 43.506 21.637 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.966 42.778 19.570 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.674 43.765 20.989 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.208 45.501 20.119 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.560 44.508 18.719 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.540 45.671 16.992 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.821 46.079 17.002 1.00 0.00 H new ATOM 656 N ARG A 42 52.008 41.754 23.112 1.00 0.00 N ATOM 657 CA ARG A 42 51.252 40.910 24.014 1.00 0.00 C ATOM 658 C ARG A 42 50.204 41.756 24.740 1.00 0.00 C ATOM 659 O ARG A 42 50.572 42.678 25.465 1.00 0.00 O ATOM 660 CB ARG A 42 52.198 40.246 25.011 1.00 0.00 C ATOM 661 CG ARG A 42 53.244 39.305 24.420 1.00 0.00 C ATOM 662 CD ARG A 42 54.285 38.887 25.455 1.00 0.00 C ATOM 663 NE ARG A 42 53.663 38.260 26.620 1.00 0.00 N ATOM 664 CZ ARG A 42 54.076 38.235 27.895 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.280 38.670 28.294 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.233 37.767 28.825 1.00 0.00 N ATOM 0 H ARG A 42 52.550 42.468 23.599 1.00 0.00 H new ATOM 0 HA ARG A 42 50.742 40.128 23.451 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.715 41.028 25.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.600 39.686 25.730 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.751 38.418 24.023 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.741 39.795 23.583 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.992 38.192 25.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.855 39.760 25.772 1.00 0.00 H new ATOM 0 HE ARG A 42 52.787 37.770 26.436 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.938 39.046 27.612 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.537 38.625 29.280 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.305 37.442 28.555 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.519 37.736 29.803 1.00 0.00 H new ATOM 680 N LEU A 43 48.922 41.465 24.545 1.00 0.00 N ATOM 681 CA LEU A 43 47.811 42.191 25.126 1.00 0.00 C ATOM 682 C LEU A 43 47.182 41.433 26.297 1.00 0.00 C ATOM 683 O LEU A 43 46.787 40.276 26.181 1.00 0.00 O ATOM 684 CB LEU A 43 46.787 42.549 24.052 1.00 0.00 C ATOM 685 CG LEU A 43 47.268 43.560 23.016 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.205 43.741 21.935 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.549 44.935 23.612 1.00 0.00 C ATOM 0 H LEU A 43 48.623 40.688 23.956 1.00 0.00 H new ATOM 0 HA LEU A 43 48.196 43.123 25.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.489 41.636 23.536 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.896 42.945 24.538 1.00 0.00 H new ATOM 0 HG LEU A 43 48.196 43.159 22.610 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.555 44.464 21.198 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.018 42.785 21.445 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.282 44.103 22.389 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.888 45.610 22.826 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.638 45.330 24.062 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.323 44.850 24.375 1.00 0.00 H new ATOM 699 N ILE A 44 47.099 42.121 27.432 1.00 0.00 N ATOM 700 CA ILE A 44 46.680 41.600 28.719 1.00 0.00 C ATOM 701 C ILE A 44 45.434 42.349 29.196 1.00 0.00 C ATOM 702 O ILE A 44 45.387 43.575 29.132 1.00 0.00 O ATOM 703 CB ILE A 44 47.811 41.714 29.737 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.221 41.407 29.241 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.498 40.891 30.983 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.476 39.993 28.726 1.00 0.00 C ATOM 0 H ILE A 44 47.337 43.112 27.475 1.00 0.00 H new ATOM 0 HA ILE A 44 46.433 40.543 28.614 1.00 0.00 H new ATOM 0 HB ILE A 44 47.840 42.779 29.966 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.460 42.108 28.441 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.918 41.603 30.056 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.317 40.985 31.697 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.577 41.255 31.437 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.377 39.844 30.706 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.514 39.905 28.404 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.281 39.275 29.522 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.816 39.788 27.883 1.00 0.00 H new ATOM 718 N PHE A 45 44.429 41.635 29.699 1.00 0.00 N ATOM 719 CA PHE A 45 43.240 42.204 30.298 1.00 0.00 C ATOM 720 C PHE A 45 42.933 41.528 31.635 1.00 0.00 C ATOM 721 O PHE A 45 42.889 40.302 31.705 1.00 0.00 O ATOM 722 CB PHE A 45 42.079 42.103 29.313 1.00 0.00 C ATOM 723 CG PHE A 45 40.767 42.724 29.730 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.727 44.021 30.255 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.571 42.020 29.549 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.510 44.593 30.645 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.350 42.594 29.922 1.00 0.00 C ATOM 728 CZ PHE A 45 38.317 43.878 30.482 1.00 0.00 C ATOM 0 H PHE A 45 44.427 40.615 29.697 1.00 0.00 H new ATOM 0 HA PHE A 45 43.404 43.260 30.515 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.389 42.565 28.376 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.903 41.048 29.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.642 44.585 30.360 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.590 41.029 29.120 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.491 45.585 31.071 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.431 42.046 29.778 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.377 44.314 30.786 1.00 0.00 H new ATOM 738 N ALA A 46 42.747 42.303 32.700 1.00 0.00 N ATOM 739 CA ALA A 46 42.631 41.828 34.064 1.00 0.00 C ATOM 740 C ALA A 46 43.738 40.861 34.490 1.00 0.00 C ATOM 741 O ALA A 46 43.509 39.926 35.255 1.00 0.00 O ATOM 742 CB ALA A 46 41.210 41.328 34.312 1.00 0.00 C ATOM 0 H ALA A 46 42.671 43.318 32.627 1.00 0.00 H new ATOM 0 HA ALA A 46 42.801 42.672 34.733 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.124 40.971 35.338 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.504 42.143 34.151 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.986 40.513 33.624 1.00 0.00 H new ATOM 748 N GLY A 47 44.953 41.040 33.982 1.00 0.00 N ATOM 749 CA GLY A 47 46.089 40.176 34.226 1.00 0.00 C ATOM 750 C GLY A 47 46.047 38.787 33.585 1.00 0.00 C ATOM 751 O GLY A 47 46.785 37.902 34.012 1.00 0.00 O ATOM 0 H GLY A 47 45.176 41.822 33.366 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.986 40.686 33.874 1.00 0.00 H new ATOM 0 HA3 GLY A 47 46.196 40.050 35.303 1.00 0.00 H new ATOM 755 N LYS A 48 45.207 38.587 32.573 1.00 0.00 N ATOM 756 CA LYS A 48 45.192 37.426 31.705 1.00 0.00 C ATOM 757 C LYS A 48 45.557 37.794 30.265 1.00 0.00 C ATOM 758 O LYS A 48 45.061 38.789 29.740 1.00 0.00 O ATOM 759 CB LYS A 48 43.829 36.741 31.753 1.00 0.00 C ATOM 760 CG LYS A 48 43.672 35.878 33.002 1.00 0.00 C ATOM 761 CD LYS A 48 42.521 34.887 32.851 1.00 0.00 C ATOM 762 CE LYS A 48 42.516 33.964 34.066 1.00 0.00 C ATOM 763 NZ LYS A 48 41.535 32.875 33.938 1.00 0.00 N ATOM 0 H LYS A 48 44.486 39.266 32.329 1.00 0.00 H new ATOM 0 HA LYS A 48 45.948 36.731 32.070 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.042 37.495 31.731 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.702 36.122 30.865 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.599 35.336 33.191 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.494 36.516 33.867 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.572 35.417 32.774 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.637 34.307 31.935 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.511 33.539 34.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.294 34.546 34.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.569 32.275 34.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.581 33.277 33.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.760 32.302 33.100 1.00 0.00 H new ATOM 777 N GLN A 49 46.415 36.997 29.635 1.00 0.00 N ATOM 778 CA GLN A 49 46.838 37.197 28.264 1.00 0.00 C ATOM 779 C GLN A 49 45.770 36.717 27.280 1.00 0.00 C ATOM 780 O GLN A 49 45.281 35.595 27.400 1.00 0.00 O ATOM 781 CB GLN A 49 48.178 36.491 28.078 1.00 0.00 C ATOM 782 CG GLN A 49 48.796 36.728 26.702 1.00 0.00 C ATOM 783 CD GLN A 49 50.293 36.417 26.746 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.109 37.281 27.058 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.715 35.176 26.526 1.00 0.00 N ATOM 0 H GLN A 49 46.840 36.181 30.076 1.00 0.00 H new ATOM 0 HA GLN A 49 46.968 38.259 28.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.872 36.835 28.845 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.041 35.420 28.228 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.306 36.098 25.960 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.639 37.762 26.396 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.048 34.449 26.266 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.706 34.951 26.617 1.00 0.00 H new ATOM 794 N LEU A 50 45.403 37.560 26.320 1.00 0.00 N ATOM 795 CA LEU A 50 44.347 37.287 25.365 1.00 0.00 C ATOM 796 C LEU A 50 44.866 36.575 24.113 1.00 0.00 C ATOM 797 O LEU A 50 46.031 36.711 23.746 1.00 0.00 O ATOM 798 CB LEU A 50 43.618 38.578 25.008 1.00 0.00 C ATOM 799 CG LEU A 50 43.060 39.380 26.180 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.224 40.537 25.642 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.172 38.551 27.104 1.00 0.00 C ATOM 0 H LEU A 50 45.844 38.470 26.186 1.00 0.00 H new ATOM 0 HA LEU A 50 43.640 36.604 25.836 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.304 39.216 24.451 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.795 38.333 24.337 1.00 0.00 H new ATOM 0 HG LEU A 50 43.916 39.728 26.758 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.822 41.114 26.475 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.849 41.180 25.023 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.402 40.144 25.043 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.807 39.178 27.917 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.326 38.159 26.540 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.748 37.723 27.516 1.00 0.00 H new ATOM 813 N GLU A 51 43.997 35.826 23.441 1.00 0.00 N ATOM 814 CA GLU A 51 44.270 35.249 22.140 1.00 0.00 C ATOM 815 C GLU A 51 44.066 36.264 21.014 1.00 0.00 C ATOM 816 O GLU A 51 43.708 37.414 21.257 1.00 0.00 O ATOM 817 CB GLU A 51 43.431 33.991 21.931 1.00 0.00 C ATOM 818 CG GLU A 51 43.786 32.922 22.961 1.00 0.00 C ATOM 819 CD GLU A 51 43.297 31.535 22.542 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.968 30.885 21.712 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.270 31.059 23.074 1.00 0.00 O ATOM 0 H GLU A 51 43.068 35.602 23.797 1.00 0.00 H new ATOM 0 HA GLU A 51 45.321 34.962 22.110 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.372 34.238 22.008 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.595 33.602 20.926 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.867 32.898 23.100 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.346 33.186 23.923 1.00 0.00 H new ATOM 828 N ASP A 52 44.324 35.875 19.768 1.00 0.00 N ATOM 829 CA ASP A 52 44.224 36.739 18.610 1.00 0.00 C ATOM 830 C ASP A 52 42.850 36.682 17.941 1.00 0.00 C ATOM 831 O ASP A 52 42.213 37.715 17.740 1.00 0.00 O ATOM 832 CB ASP A 52 45.331 36.386 17.622 1.00 0.00 C ATOM 833 CG ASP A 52 46.732 36.500 18.229 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.126 37.622 18.617 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.445 35.475 18.269 1.00 0.00 O ATOM 0 H ASP A 52 44.615 34.925 19.537 1.00 0.00 H new ATOM 0 HA ASP A 52 44.347 37.767 18.950 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.179 35.369 17.262 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.261 37.044 16.756 1.00 0.00 H new ATOM 840 N GLY A 53 42.372 35.485 17.619 1.00 0.00 N ATOM 841 CA GLY A 53 41.191 35.238 16.814 1.00 0.00 C ATOM 842 C GLY A 53 39.874 35.165 17.588 1.00 0.00 C ATOM 843 O GLY A 53 39.007 34.380 17.209 1.00 0.00 O ATOM 0 H GLY A 53 42.822 34.623 17.929 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.110 36.027 16.066 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.329 34.301 16.275 1.00 0.00 H new ATOM 847 N ARG A 54 39.714 35.919 18.672 1.00 0.00 N ATOM 848 CA ARG A 54 38.521 35.963 19.492 1.00 0.00 C ATOM 849 C ARG A 54 38.064 37.407 19.715 1.00 0.00 C ATOM 850 O ARG A 54 38.887 38.317 19.646 1.00 0.00 O ATOM 851 CB ARG A 54 38.737 35.244 20.821 1.00 0.00 C ATOM 852 CG ARG A 54 39.233 33.810 20.656 1.00 0.00 C ATOM 853 CD ARG A 54 39.020 33.000 21.932 1.00 0.00 C ATOM 854 NE ARG A 54 37.622 32.592 22.080 1.00 0.00 N ATOM 855 CZ ARG A 54 37.098 31.927 23.119 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.810 31.676 24.226 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.841 31.466 23.069 1.00 0.00 N ATOM 0 H ARG A 54 40.448 36.541 19.012 1.00 0.00 H new ATOM 0 HA ARG A 54 37.729 35.438 18.957 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.458 35.804 21.417 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.800 35.236 21.378 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.707 33.334 19.828 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.292 33.816 20.399 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.658 32.117 21.914 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.321 33.593 22.796 1.00 0.00 H new ATOM 0 HE ARG A 54 36.987 32.837 21.321 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.777 31.993 24.293 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.385 31.168 25.001 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.274 31.620 22.235 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.451 30.961 23.865 1.00 0.00 H new ATOM 871 N THR A 55 36.771 37.623 19.938 1.00 0.00 N ATOM 872 CA THR A 55 36.181 38.948 19.926 1.00 0.00 C ATOM 873 C THR A 55 36.239 39.690 21.263 1.00 0.00 C ATOM 874 O THR A 55 36.392 39.085 22.322 1.00 0.00 O ATOM 875 CB THR A 55 34.749 38.970 19.401 1.00 0.00 C ATOM 876 OG1 THR A 55 33.879 38.319 20.300 1.00 0.00 O ATOM 877 CG2 THR A 55 34.608 38.342 18.016 1.00 0.00 C ATOM 0 H THR A 55 36.104 36.877 20.133 1.00 0.00 H new ATOM 0 HA THR A 55 36.822 39.486 19.228 1.00 0.00 H new ATOM 0 HB THR A 55 34.477 40.022 19.312 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.878 37.357 20.115 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.566 38.389 17.700 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.228 38.887 17.304 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.929 37.301 18.054 1.00 0.00 H new ATOM 885 N LEU A 56 36.034 41.003 21.223 1.00 0.00 N ATOM 886 CA LEU A 56 35.816 41.800 22.413 1.00 0.00 C ATOM 887 C LEU A 56 34.596 41.334 23.211 1.00 0.00 C ATOM 888 O LEU A 56 34.645 41.328 24.438 1.00 0.00 O ATOM 889 CB LEU A 56 35.709 43.278 22.048 1.00 0.00 C ATOM 890 CG LEU A 56 37.053 43.993 21.936 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.799 43.682 20.641 1.00 0.00 C ATOM 892 CD2 LEU A 56 36.838 45.502 21.995 1.00 0.00 C ATOM 0 H LEU A 56 36.015 41.541 20.357 1.00 0.00 H new ATOM 0 HA LEU A 56 36.680 41.663 23.063 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.181 43.369 21.099 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.103 43.783 22.800 1.00 0.00 H new ATOM 0 HG LEU A 56 37.656 43.634 22.770 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.745 44.223 20.627 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.992 42.611 20.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.193 43.990 19.789 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.799 46.010 21.915 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.195 45.810 21.171 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.366 45.766 22.942 1.00 0.00 H new ATOM 904 N SER A 57 33.532 40.891 22.546 1.00 0.00 N ATOM 905 CA SER A 57 32.368 40.302 23.176 1.00 0.00 C ATOM 906 C SER A 57 32.687 38.991 23.896 1.00 0.00 C ATOM 907 O SER A 57 32.208 38.791 25.009 1.00 0.00 O ATOM 908 CB SER A 57 31.269 40.022 22.154 1.00 0.00 C ATOM 909 OG SER A 57 30.807 41.210 21.552 1.00 0.00 O ATOM 0 H SER A 57 33.460 40.936 21.530 1.00 0.00 H new ATOM 0 HA SER A 57 32.030 41.035 23.908 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.648 39.348 21.386 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.438 39.514 22.642 1.00 0.00 H new ATOM 0 HG SER A 57 31.493 41.557 20.945 1.00 0.00 H new ATOM 915 N ASP A 58 33.523 38.132 23.319 1.00 0.00 N ATOM 916 CA ASP A 58 33.937 36.885 23.933 1.00 0.00 C ATOM 917 C ASP A 58 34.743 37.092 25.216 1.00 0.00 C ATOM 918 O ASP A 58 34.760 36.206 26.068 1.00 0.00 O ATOM 919 CB ASP A 58 34.741 36.040 22.949 1.00 0.00 C ATOM 920 CG ASP A 58 33.929 35.551 21.748 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.833 34.982 21.949 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.411 35.709 20.606 1.00 0.00 O ATOM 0 H ASP A 58 33.935 38.290 22.399 1.00 0.00 H new ATOM 0 HA ASP A 58 33.022 36.359 24.206 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.588 36.625 22.589 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.150 35.177 23.475 1.00 0.00 H new ATOM 927 N TYR A 59 35.366 38.256 25.384 1.00 0.00 N ATOM 928 CA TYR A 59 36.111 38.665 26.557 1.00 0.00 C ATOM 929 C TYR A 59 35.409 39.691 27.450 1.00 0.00 C ATOM 930 O TYR A 59 35.996 40.110 28.445 1.00 0.00 O ATOM 931 CB TYR A 59 37.504 39.124 26.136 1.00 0.00 C ATOM 932 CG TYR A 59 38.430 38.036 25.646 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.745 36.958 26.482 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.035 38.138 24.388 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.668 35.987 26.075 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.978 37.188 23.978 1.00 0.00 C ATOM 937 CZ TYR A 59 40.302 36.109 24.823 1.00 0.00 C ATOM 938 OH TYR A 59 41.257 35.212 24.446 1.00 0.00 O ATOM 0 H TYR A 59 35.360 38.975 24.660 1.00 0.00 H new ATOM 0 HA TYR A 59 36.188 37.786 27.198 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.398 39.869 25.347 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.974 39.622 26.984 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.272 36.875 27.449 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.773 38.954 23.730 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.893 35.149 26.718 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.457 37.283 23.014 1.00 0.00 H new ATOM 0 HH TYR A 59 41.071 34.343 24.860 1.00 0.00 H new ATOM 948 N ASN A 60 34.171 40.086 27.165 1.00 0.00 N ATOM 949 CA ASN A 60 33.431 41.092 27.901 1.00 0.00 C ATOM 950 C ASN A 60 34.172 42.421 28.047 1.00 0.00 C ATOM 951 O ASN A 60 34.296 42.981 29.134 1.00 0.00 O ATOM 952 CB ASN A 60 32.882 40.512 29.201 1.00 0.00 C ATOM 953 CG ASN A 60 31.676 39.598 28.976 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.541 40.066 28.928 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.885 38.295 28.812 1.00 0.00 N ATOM 0 H ASN A 60 33.641 39.696 26.385 1.00 0.00 H new ATOM 0 HA ASN A 60 32.565 41.371 27.301 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.669 39.951 29.705 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.596 41.327 29.866 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.097 37.669 28.644 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.833 37.921 28.855 1.00 0.00 H new ATOM 962 N ILE A 61 34.690 42.938 26.936 1.00 0.00 N ATOM 963 CA ILE A 61 35.365 44.217 26.850 1.00 0.00 C ATOM 964 C ILE A 61 34.353 45.294 26.451 1.00 0.00 C ATOM 965 O ILE A 61 33.635 45.157 25.464 1.00 0.00 O ATOM 966 CB ILE A 61 36.581 44.135 25.931 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.610 43.153 26.484 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.225 45.505 25.744 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.732 42.773 25.522 1.00 0.00 C ATOM 0 H ILE A 61 34.646 42.454 26.039 1.00 0.00 H new ATOM 0 HA ILE A 61 35.765 44.499 27.824 1.00 0.00 H new ATOM 0 HB ILE A 61 36.235 43.779 24.960 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.054 43.584 27.381 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.092 42.244 26.790 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.088 45.414 25.085 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.501 46.190 25.302 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.546 45.891 26.711 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.409 42.072 26.011 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.307 42.307 24.633 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.283 43.668 25.234 1.00 0.00 H new ATOM 981 N GLN A 62 34.299 46.372 27.227 1.00 0.00 N ATOM 982 CA GLN A 62 33.372 47.476 27.080 1.00 0.00 C ATOM 983 C GLN A 62 34.083 48.824 26.953 1.00 0.00 C ATOM 984 O GLN A 62 35.277 48.953 27.218 1.00 0.00 O ATOM 985 CB GLN A 62 32.385 47.487 28.245 1.00 0.00 C ATOM 986 CG GLN A 62 31.552 46.214 28.363 1.00 0.00 C ATOM 987 CD GLN A 62 30.402 46.308 29.368 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.096 47.341 29.957 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.673 45.214 29.578 1.00 0.00 N ATOM 0 H GLN A 62 34.935 46.500 28.014 1.00 0.00 H new ATOM 0 HA GLN A 62 32.826 47.325 26.149 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.936 47.636 29.174 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.714 48.339 28.132 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.144 45.968 27.383 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.206 45.391 28.652 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.909 44.345 29.100 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.879 45.245 30.217 1.00 0.00 H new ATOM 998 N LYS A 63 33.343 49.851 26.545 1.00 0.00 N ATOM 999 CA LYS A 63 33.803 51.209 26.334 1.00 0.00 C ATOM 1000 C LYS A 63 34.565 51.769 27.537 1.00 0.00 C ATOM 1001 O LYS A 63 34.084 51.706 28.666 1.00 0.00 O ATOM 1002 CB LYS A 63 32.589 52.058 25.968 1.00 0.00 C ATOM 1003 CG LYS A 63 32.919 53.504 25.606 1.00 0.00 C ATOM 1004 CD LYS A 63 31.665 54.232 25.131 1.00 0.00 C ATOM 1005 CE LYS A 63 31.950 55.692 24.796 1.00 0.00 C ATOM 1006 NZ LYS A 63 32.004 56.546 25.993 1.00 0.00 N ATOM 0 H LYS A 63 32.349 49.745 26.343 1.00 0.00 H new ATOM 0 HA LYS A 63 34.527 51.226 25.519 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.076 51.593 25.126 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.893 52.056 26.807 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.338 54.016 26.472 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.678 53.526 24.824 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.264 53.729 24.251 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.899 54.180 25.905 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.898 55.760 24.262 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.178 56.064 24.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 32.300 57.505 25.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.063 56.585 26.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.687 56.151 26.670 1.00 0.00 H new ATOM 1020 N GLU A 64 35.732 52.352 27.282 1.00 0.00 N ATOM 1021 CA GLU A 64 36.656 52.932 28.237 1.00 0.00 C ATOM 1022 C GLU A 64 37.265 51.966 29.255 1.00 0.00 C ATOM 1023 O GLU A 64 37.851 52.400 30.244 1.00 0.00 O ATOM 1024 CB GLU A 64 36.070 54.195 28.862 1.00 0.00 C ATOM 1025 CG GLU A 64 35.842 55.323 27.859 1.00 0.00 C ATOM 1026 CD GLU A 64 34.844 56.335 28.422 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.263 57.302 29.095 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.628 56.138 28.206 1.00 0.00 O ATOM 0 H GLU A 64 36.078 52.435 26.326 1.00 0.00 H new ATOM 0 HA GLU A 64 37.531 53.218 27.653 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.122 53.948 29.340 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.740 54.547 29.646 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.787 55.818 27.636 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.467 54.915 26.920 1.00 0.00 H new ATOM 1035 N SER A 65 37.179 50.660 29.015 1.00 0.00 N ATOM 1036 CA SER A 65 38.002 49.674 29.685 1.00 0.00 C ATOM 1037 C SER A 65 39.443 49.725 29.172 1.00 0.00 C ATOM 1038 O SER A 65 39.706 50.212 28.074 1.00 0.00 O ATOM 1039 CB SER A 65 37.418 48.272 29.536 1.00 0.00 C ATOM 1040 OG SER A 65 36.167 48.194 30.181 1.00 0.00 O ATOM 0 H SER A 65 36.527 50.259 28.341 1.00 0.00 H new ATOM 0 HA SER A 65 38.013 49.917 30.748 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.306 48.027 28.480 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.102 47.538 29.963 1.00 0.00 H new ATOM 0 HG SER A 65 35.454 48.376 29.534 1.00 0.00 H new ATOM 1046 N THR A 66 40.384 49.217 29.962 1.00 0.00 N ATOM 1047 CA THR A 66 41.809 49.326 29.723 1.00 0.00 C ATOM 1048 C THR A 66 42.484 47.956 29.645 1.00 0.00 C ATOM 1049 O THR A 66 42.280 47.096 30.500 1.00 0.00 O ATOM 1050 CB THR A 66 42.496 50.174 30.789 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.844 51.414 30.955 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.947 50.501 30.446 1.00 0.00 C ATOM 0 H THR A 66 40.162 48.702 30.814 1.00 0.00 H new ATOM 0 HA THR A 66 41.918 49.819 28.757 1.00 0.00 H new ATOM 0 HB THR A 66 42.453 49.570 31.695 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.304 51.936 31.645 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.382 51.106 31.242 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.514 49.576 30.343 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.983 51.055 29.508 1.00 0.00 H new ATOM 1060 N LEU A 67 43.344 47.781 28.646 1.00 0.00 N ATOM 1061 CA LEU A 67 44.242 46.654 28.493 1.00 0.00 C ATOM 1062 C LEU A 67 45.691 47.103 28.686 1.00 0.00 C ATOM 1063 O LEU A 67 46.032 48.252 28.414 1.00 0.00 O ATOM 1064 CB LEU A 67 44.048 45.983 27.136 1.00 0.00 C ATOM 1065 CG LEU A 67 42.703 45.291 26.930 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.617 46.220 26.399 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.854 44.170 25.905 1.00 0.00 C ATOM 0 H LEU A 67 43.433 48.457 27.888 1.00 0.00 H new ATOM 0 HA LEU A 67 44.008 45.916 29.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.172 46.735 26.357 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.840 45.247 26.998 1.00 0.00 H new ATOM 0 HG LEU A 67 42.406 44.926 27.913 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.689 45.662 26.277 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.459 47.036 27.104 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.925 46.627 25.436 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.892 43.678 25.760 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.195 44.587 24.957 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.583 43.444 26.265 1.00 0.00 H new ATOM 1079 N HIS A 68 46.564 46.197 29.118 1.00 0.00 N ATOM 1080 CA HIS A 68 47.993 46.432 29.168 1.00 0.00 C ATOM 1081 C HIS A 68 48.675 45.847 27.930 1.00 0.00 C ATOM 1082 O HIS A 68 48.312 44.764 27.475 1.00 0.00 O ATOM 1083 CB HIS A 68 48.612 45.895 30.455 1.00 0.00 C ATOM 1084 CG HIS A 68 48.014 46.408 31.736 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.005 45.716 32.946 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.406 47.623 31.917 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.370 46.502 33.819 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.008 47.658 33.240 1.00 0.00 N ATOM 0 H HIS A 68 46.290 45.271 29.445 1.00 0.00 H new ATOM 0 HA HIS A 68 48.155 47.510 29.168 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.530 44.808 30.448 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.675 46.135 30.451 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.266 48.396 31.176 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.174 46.243 34.849 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.523 48.429 33.698 1.00 0.00 H new ATOM 1096 N LEU A 69 49.684 46.544 27.414 1.00 0.00 N ATOM 1097 CA LEU A 69 50.552 46.091 26.346 1.00 0.00 C ATOM 1098 C LEU A 69 51.962 45.865 26.894 1.00 0.00 C ATOM 1099 O LEU A 69 52.570 46.797 27.418 1.00 0.00 O ATOM 1100 CB LEU A 69 50.523 47.112 25.213 1.00 0.00 C ATOM 1101 CG LEU A 69 51.540 46.900 24.094 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.377 45.568 23.368 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.403 48.011 23.056 1.00 0.00 C ATOM 0 H LEU A 69 49.924 47.478 27.747 1.00 0.00 H new ATOM 0 HA LEU A 69 50.205 45.139 25.944 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.525 47.111 24.775 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.683 48.102 25.639 1.00 0.00 H new ATOM 0 HG LEU A 69 52.519 46.907 24.574 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.132 45.485 22.586 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.498 44.750 24.078 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.384 45.517 22.921 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.130 47.856 22.259 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.397 47.995 22.637 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.584 48.976 23.530 1.00 0.00 H new ATOM 1115 N VAL A 70 52.499 44.663 26.711 1.00 0.00 N ATOM 1116 CA VAL A 70 53.888 44.333 26.965 1.00 0.00 C ATOM 1117 C VAL A 70 54.550 43.786 25.699 1.00 0.00 C ATOM 1118 O VAL A 70 53.875 43.281 24.805 1.00 0.00 O ATOM 1119 CB VAL A 70 54.071 43.429 28.182 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.443 44.034 29.434 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.527 42.014 28.013 1.00 0.00 C ATOM 0 H VAL A 70 51.957 43.869 26.370 1.00 0.00 H new ATOM 0 HA VAL A 70 54.406 45.255 27.228 1.00 0.00 H new ATOM 0 HB VAL A 70 55.153 43.355 28.288 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.594 43.361 30.278 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.911 44.995 29.648 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.375 44.178 29.272 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.701 41.446 28.927 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.457 42.057 27.811 1.00 0.00 H new ATOM 0 HG23 VAL A 70 54.034 41.527 27.180 1.00 0.00 H new ATOM 1131 N LEU A 71 55.869 43.930 25.610 1.00 0.00 N ATOM 1132 CA LEU A 71 56.667 43.651 24.434 1.00 0.00 C ATOM 1133 C LEU A 71 57.702 42.554 24.695 1.00 0.00 C ATOM 1134 O LEU A 71 57.854 42.079 25.819 1.00 0.00 O ATOM 1135 CB LEU A 71 57.306 44.947 23.946 1.00 0.00 C ATOM 1136 CG LEU A 71 56.346 46.090 23.627 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.140 47.314 23.177 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.353 45.741 22.521 1.00 0.00 C ATOM 0 H LEU A 71 56.430 44.260 26.395 1.00 0.00 H new ATOM 0 HA LEU A 71 56.020 43.264 23.647 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.008 45.291 24.706 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.887 44.727 23.051 1.00 0.00 H new ATOM 0 HG LEU A 71 55.784 46.288 24.540 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.454 48.130 22.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.817 47.621 23.974 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.717 47.066 22.286 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.697 46.592 22.339 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.896 45.499 21.607 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.756 44.882 22.826 1.00 0.00 H new ATOM 1150 N ARG A 72 58.413 42.137 23.651 1.00 0.00 N ATOM 1151 CA ARG A 72 59.421 41.098 23.697 1.00 0.00 C ATOM 1152 C ARG A 72 60.824 41.694 23.830 1.00 0.00 C ATOM 1153 O ARG A 72 61.112 42.737 23.248 1.00 0.00 O ATOM 1154 CB ARG A 72 59.292 40.142 22.514 1.00 0.00 C ATOM 1155 CG ARG A 72 57.853 39.711 22.249 1.00 0.00 C ATOM 1156 CD ARG A 72 57.787 38.452 21.388 1.00 0.00 C ATOM 1157 NE ARG A 72 56.424 38.185 20.930 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.472 37.438 21.507 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.620 36.853 22.704 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.307 37.276 20.867 1.00 0.00 N ATOM 0 H ARG A 72 58.294 42.532 22.718 1.00 0.00 H new ATOM 0 HA ARG A 72 59.251 40.500 24.592 1.00 0.00 H new ATOM 0 HB2 ARG A 72 59.692 40.622 21.621 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.902 39.258 22.700 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.348 39.529 23.198 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.317 40.520 21.752 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.446 38.564 20.527 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.153 37.599 21.960 1.00 0.00 H new ATOM 0 HE ARG A 72 56.161 38.628 20.050 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.491 36.966 23.223 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.862 36.295 23.096 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.158 37.717 19.959 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.568 36.712 21.287 1.00 0.00 H new ATOM 1174 N LEU A 73 61.678 41.054 24.623 1.00 0.00 N ATOM 1175 CA LEU A 73 62.929 41.599 25.110 1.00 0.00 C ATOM 1176 C LEU A 73 64.116 40.641 24.979 1.00 0.00 C ATOM 1177 O LEU A 73 65.257 41.082 25.086 1.00 0.00 O ATOM 1178 CB LEU A 73 62.756 41.980 26.578 1.00 0.00 C ATOM 1179 CG LEU A 73 61.655 42.986 26.901 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.547 43.168 28.412 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.912 44.363 26.293 1.00 0.00 C ATOM 0 H LEU A 73 61.505 40.105 24.954 1.00 0.00 H new ATOM 0 HA LEU A 73 63.161 42.464 24.489 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.562 41.070 27.145 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.702 42.384 26.938 1.00 0.00 H new ATOM 0 HG LEU A 73 60.737 42.581 26.475 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.759 43.887 28.636 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.309 42.212 28.878 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.496 43.535 28.803 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.096 45.035 26.557 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.850 44.762 26.679 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.974 44.276 25.208 1.00 0.00 H new ATOM 1193 N ARG A 74 63.861 39.351 24.784 1.00 0.00 N ATOM 1194 CA ARG A 74 64.837 38.280 24.795 1.00 0.00 C ATOM 1195 C ARG A 74 64.774 37.469 23.499 1.00 0.00 C ATOM 1196 O ARG A 74 63.702 37.328 22.914 1.00 0.00 O ATOM 1197 CB ARG A 74 64.610 37.388 26.013 1.00 0.00 C ATOM 1198 CG ARG A 74 64.683 38.141 27.339 1.00 0.00 C ATOM 1199 CD ARG A 74 64.366 37.220 28.514 1.00 0.00 C ATOM 1200 NE ARG A 74 64.342 37.958 29.778 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.847 37.511 30.940 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.227 36.327 31.039 1.00 0.00 N ATOM 1203 NH2 ARG A 74 63.959 38.253 32.050 1.00 0.00 N ATOM 0 H ARG A 74 62.916 39.012 24.605 1.00 0.00 H new ATOM 0 HA ARG A 74 65.835 38.714 24.861 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.633 36.911 25.928 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.354 36.592 26.015 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.679 38.566 27.465 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.980 38.974 27.326 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.401 36.740 28.352 1.00 0.00 H new ATOM 0 HD3 ARG A 74 65.111 36.426 28.568 1.00 0.00 H new ATOM 0 HE ARG A 74 64.738 38.898 29.774 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.121 35.736 30.214 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.862 36.016 31.939 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.422 39.161 32.012 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.581 37.910 32.933 1.00 0.00 H new ATOM 1217 N GLY A 75 65.909 36.956 23.035 1.00 0.00 N ATOM 1218 CA GLY A 75 66.027 36.281 21.759 1.00 0.00 C ATOM 1219 C GLY A 75 65.703 37.156 20.546 1.00 0.00 C ATOM 1220 O GLY A 75 65.314 36.634 19.504 1.00 0.00 O ATOM 0 H GLY A 75 66.788 37.002 23.551 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.043 35.901 21.656 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.362 35.417 21.756 1.00 0.00 H new ATOM 1224 N GLY A 76 65.798 38.473 20.705 1.00 0.00 N ATOM 1225 CA GLY A 76 65.255 39.504 19.844 1.00 0.00 C ATOM 1226 C GLY A 76 64.865 40.730 20.673 1.00 0.00 C ATOM 1227 O GLY A 76 65.779 41.366 21.238 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.649 41.006 20.771 1.00 0.00 O ATOM 0 H GLY A 76 66.296 38.871 21.501 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.991 39.784 19.090 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.383 39.123 19.312 1.00 0.00 H new TER 1232 GLY A 76