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 7 THR OG1 : rot -92:sc= 1.27 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.35 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0.797 K(o=0.8,f=-2.6!) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 1.31 (180deg=0.945) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0737 USER MOD Single : A 22 THR OG1 : rot 88:sc= 0.162 USER MOD Single : A 25 ASN : amide:sc= 1.04 K(o=1,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.773) USER MOD Single : A 31 GLN : amide:sc= -0.0688 K(o=-0.069,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0349 (180deg=-0.312) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 41 GLN : amide:sc= 0.438 K(o=0.44,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= -0.0137 (180deg=-0.136) USER MOD Single : A 49 GLN : amide:sc= -0.869 K(o=-0.87,f=0.022) USER MOD Single : A 55 THR OG1 : rot -76:sc= 0.0282 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.621 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 0.838 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0254 K(o=-0.025,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.395 31.106 16.842 1.00 0.00 N ATOM 2 CA MET A 1 13.468 30.929 18.303 1.00 0.00 C ATOM 3 C MET A 1 14.919 31.306 18.575 1.00 0.00 C ATOM 4 O MET A 1 15.807 31.263 17.726 1.00 0.00 O ATOM 5 CB MET A 1 13.058 29.516 18.736 1.00 0.00 C ATOM 6 CG MET A 1 14.026 28.371 18.423 1.00 0.00 C ATOM 7 SD MET A 1 13.537 26.782 19.134 1.00 0.00 S ATOM 8 CE MET A 1 15.200 26.150 19.462 1.00 0.00 C ATOM 0 H1 MET A 1 12.648 30.495 16.455 1.00 0.00 H new ATOM 0 H2 MET A 1 13.178 32.099 16.623 1.00 0.00 H new ATOM 0 H3 MET A 1 14.308 30.849 16.415 1.00 0.00 H new ATOM 0 HA MET A 1 12.773 31.535 18.884 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.890 29.530 19.813 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.101 29.285 18.267 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.109 28.264 17.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.017 28.634 18.794 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.131 25.159 19.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.756 26.086 18.527 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.717 26.823 20.146 1.00 0.00 H new ATOM 20 N GLN A 2 15.332 31.841 19.722 1.00 0.00 N ATOM 21 CA GLN A 2 16.719 32.124 20.058 1.00 0.00 C ATOM 22 C GLN A 2 17.142 31.034 21.043 1.00 0.00 C ATOM 23 O GLN A 2 16.381 30.551 21.877 1.00 0.00 O ATOM 24 CB GLN A 2 16.738 33.408 20.904 1.00 0.00 C ATOM 25 CG GLN A 2 16.466 34.513 19.894 1.00 0.00 C ATOM 26 CD GLN A 2 15.438 35.532 20.390 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.777 35.328 21.406 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.197 36.654 19.717 1.00 0.00 N ATOM 0 H GLN A 2 14.684 32.097 20.467 1.00 0.00 H new ATOM 0 HA GLN A 2 17.337 32.191 19.162 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.978 33.384 21.685 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.699 33.546 21.399 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.399 35.028 19.666 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.111 34.069 18.964 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.723 36.863 18.868 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.486 37.306 20.050 1.00 0.00 H new ATOM 37 N ILE A 3 18.457 30.871 21.033 1.00 0.00 N ATOM 38 CA ILE A 3 19.235 30.320 22.127 1.00 0.00 C ATOM 39 C ILE A 3 20.362 31.282 22.524 1.00 0.00 C ATOM 40 O ILE A 3 20.964 31.952 21.696 1.00 0.00 O ATOM 41 CB ILE A 3 19.695 28.927 21.689 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.788 28.897 20.620 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.535 27.933 21.535 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.467 27.538 20.454 1.00 0.00 C ATOM 0 H ILE A 3 19.031 31.130 20.230 1.00 0.00 H new ATOM 0 HA ILE A 3 18.651 30.207 23.041 1.00 0.00 H new ATOM 0 HB ILE A 3 20.256 28.527 22.534 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.354 29.193 19.665 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.545 29.640 20.870 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.925 26.964 21.223 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.018 27.826 22.489 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.837 28.302 20.784 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.228 27.604 19.677 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.933 27.247 21.395 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.724 26.792 20.171 1.00 0.00 H new ATOM 56 N PHE A 4 20.591 31.385 23.832 1.00 0.00 N ATOM 57 CA PHE A 4 21.693 32.081 24.488 1.00 0.00 C ATOM 58 C PHE A 4 22.808 31.041 24.370 1.00 0.00 C ATOM 59 O PHE A 4 22.571 29.852 24.600 1.00 0.00 O ATOM 60 CB PHE A 4 21.418 32.411 25.949 1.00 0.00 C ATOM 61 CG PHE A 4 20.434 33.532 26.211 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.694 34.855 25.840 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.239 33.158 26.828 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.799 35.807 26.340 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.343 34.148 27.255 1.00 0.00 C ATOM 66 CZ PHE A 4 18.584 35.504 26.966 1.00 0.00 C ATOM 0 H PHE A 4 19.964 30.952 24.510 1.00 0.00 H new ATOM 0 HA PHE A 4 21.906 33.052 24.041 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.049 31.510 26.439 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.364 32.668 26.425 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.529 35.124 25.210 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.006 32.114 26.975 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.064 36.849 26.236 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.460 33.868 27.810 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.867 36.273 27.215 1.00 0.00 H new ATOM 76 N VAL A 5 24.021 31.496 24.058 1.00 0.00 N ATOM 77 CA VAL A 5 25.203 30.669 24.200 1.00 0.00 C ATOM 78 C VAL A 5 26.172 31.405 25.120 1.00 0.00 C ATOM 79 O VAL A 5 26.508 32.564 24.852 1.00 0.00 O ATOM 80 CB VAL A 5 25.739 30.269 22.827 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.918 29.290 22.891 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.758 29.544 21.914 1.00 0.00 C ATOM 0 H VAL A 5 24.204 32.435 23.705 1.00 0.00 H new ATOM 0 HA VAL A 5 24.996 29.711 24.677 1.00 0.00 H new ATOM 0 HB VAL A 5 26.000 31.251 22.433 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.247 29.050 21.880 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.741 29.747 23.441 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.605 28.377 23.397 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.246 29.309 20.968 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.430 28.621 22.392 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.894 30.182 21.728 1.00 0.00 H new ATOM 92 N LYS A 6 26.598 30.797 26.221 1.00 0.00 N ATOM 93 CA LYS A 6 27.485 31.465 27.146 1.00 0.00 C ATOM 94 C LYS A 6 28.901 31.208 26.608 1.00 0.00 C ATOM 95 O LYS A 6 29.266 30.118 26.199 1.00 0.00 O ATOM 96 CB LYS A 6 27.312 30.786 28.500 1.00 0.00 C ATOM 97 CG LYS A 6 28.316 31.203 29.569 1.00 0.00 C ATOM 98 CD LYS A 6 27.939 32.622 30.021 1.00 0.00 C ATOM 99 CE LYS A 6 28.680 32.887 31.319 1.00 0.00 C ATOM 100 NZ LYS A 6 28.613 34.314 31.668 1.00 0.00 N ATOM 0 H LYS A 6 26.341 29.847 26.488 1.00 0.00 H new ATOM 0 HA LYS A 6 27.292 32.533 27.247 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.307 30.994 28.867 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.383 29.707 28.359 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.290 30.512 30.411 1.00 0.00 H new ATOM 0 HG3 LYS A 6 29.331 31.183 29.172 1.00 0.00 H new ATOM 0 HD2 LYS A 6 28.216 33.354 29.263 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.862 32.707 30.168 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.246 32.290 32.121 1.00 0.00 H new ATOM 0 HE3 LYS A 6 29.721 32.579 31.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 29.181 34.490 32.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 28.986 34.882 30.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.624 34.581 31.849 1.00 0.00 H new ATOM 114 N THR A 7 29.699 32.271 26.515 1.00 0.00 N ATOM 115 CA THR A 7 31.052 32.124 26.026 1.00 0.00 C ATOM 116 C THR A 7 32.053 31.930 27.173 1.00 0.00 C ATOM 117 O THR A 7 31.735 32.171 28.340 1.00 0.00 O ATOM 118 CB THR A 7 31.465 33.387 25.279 1.00 0.00 C ATOM 119 OG1 THR A 7 31.599 34.562 26.054 1.00 0.00 O ATOM 120 CG2 THR A 7 30.479 33.630 24.131 1.00 0.00 C ATOM 0 H THR A 7 29.431 33.222 26.768 1.00 0.00 H new ATOM 0 HA THR A 7 31.066 31.248 25.377 1.00 0.00 H new ATOM 0 HB THR A 7 32.476 33.188 24.922 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.750 35.051 26.057 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.766 34.532 23.590 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.495 32.778 23.451 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.474 33.753 24.535 1.00 0.00 H new ATOM 128 N LEU A 8 33.280 31.528 26.872 1.00 0.00 N ATOM 129 CA LEU A 8 34.429 31.426 27.740 1.00 0.00 C ATOM 130 C LEU A 8 34.923 32.841 28.084 1.00 0.00 C ATOM 131 O LEU A 8 35.606 32.914 29.106 1.00 0.00 O ATOM 132 CB LEU A 8 35.533 30.566 27.137 1.00 0.00 C ATOM 133 CG LEU A 8 35.144 29.145 26.715 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.277 28.516 25.893 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.893 28.205 27.887 1.00 0.00 C ATOM 0 H LEU A 8 33.510 31.239 25.921 1.00 0.00 H new ATOM 0 HA LEU A 8 34.132 30.919 28.658 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.929 31.084 26.264 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.344 30.496 27.862 1.00 0.00 H new ATOM 0 HG LEU A 8 34.221 29.256 26.147 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.994 27.506 25.596 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.458 29.118 25.003 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.185 28.476 26.495 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.623 27.218 27.511 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.797 28.128 28.491 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.080 28.595 28.499 1.00 0.00 H new ATOM 147 N THR A 9 34.678 33.883 27.296 1.00 0.00 N ATOM 148 CA THR A 9 35.175 35.215 27.559 1.00 0.00 C ATOM 149 C THR A 9 34.124 36.038 28.321 1.00 0.00 C ATOM 150 O THR A 9 34.293 37.238 28.519 1.00 0.00 O ATOM 151 CB THR A 9 35.545 35.845 26.215 1.00 0.00 C ATOM 152 OG1 THR A 9 34.491 35.738 25.281 1.00 0.00 O ATOM 153 CG2 THR A 9 36.652 35.132 25.441 1.00 0.00 C ATOM 0 H THR A 9 34.119 33.817 26.445 1.00 0.00 H new ATOM 0 HA THR A 9 36.060 35.186 28.195 1.00 0.00 H new ATOM 0 HB THR A 9 35.823 36.854 26.521 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.761 36.152 24.435 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.838 35.658 24.504 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.564 35.121 26.038 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.345 34.108 25.228 1.00 0.00 H new ATOM 161 N GLY A 10 32.986 35.464 28.696 1.00 0.00 N ATOM 162 CA GLY A 10 32.179 36.015 29.770 1.00 0.00 C ATOM 163 C GLY A 10 30.807 36.329 29.186 1.00 0.00 C ATOM 164 O GLY A 10 29.789 36.048 29.806 1.00 0.00 O ATOM 0 H GLY A 10 32.605 34.619 28.271 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.094 35.304 30.591 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.640 36.916 30.175 1.00 0.00 H new ATOM 168 N LYS A 11 30.747 36.834 27.952 1.00 0.00 N ATOM 169 CA LYS A 11 29.518 37.397 27.436 1.00 0.00 C ATOM 170 C LYS A 11 28.606 36.303 26.876 1.00 0.00 C ATOM 171 O LYS A 11 29.093 35.242 26.518 1.00 0.00 O ATOM 172 CB LYS A 11 29.874 38.285 26.236 1.00 0.00 C ATOM 173 CG LYS A 11 30.548 37.621 25.036 1.00 0.00 C ATOM 174 CD LYS A 11 31.034 38.702 24.065 1.00 0.00 C ATOM 175 CE LYS A 11 31.895 38.028 22.992 1.00 0.00 C ATOM 176 NZ LYS A 11 32.124 38.870 21.803 1.00 0.00 N ATOM 0 H LYS A 11 31.534 36.860 27.303 1.00 0.00 H new ATOM 0 HA LYS A 11 29.022 37.934 28.245 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.957 38.759 25.886 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.529 39.081 26.590 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.388 37.010 25.368 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.847 36.954 24.534 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.186 39.211 23.607 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.612 39.459 24.596 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.858 37.759 23.427 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.414 37.100 22.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.952 38.311 20.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.475 39.683 21.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.106 39.211 21.803 1.00 0.00 H new ATOM 190 N THR A 12 27.305 36.548 26.757 1.00 0.00 N ATOM 191 CA THR A 12 26.267 35.688 26.210 1.00 0.00 C ATOM 192 C THR A 12 25.931 36.328 24.856 1.00 0.00 C ATOM 193 O THR A 12 25.331 37.387 24.759 1.00 0.00 O ATOM 194 CB THR A 12 24.992 35.718 27.055 1.00 0.00 C ATOM 195 OG1 THR A 12 25.331 35.481 28.401 1.00 0.00 O ATOM 196 CG2 THR A 12 24.030 34.615 26.594 1.00 0.00 C ATOM 0 H THR A 12 26.917 37.437 27.071 1.00 0.00 H new ATOM 0 HA THR A 12 26.608 34.654 26.164 1.00 0.00 H new ATOM 0 HB THR A 12 24.512 36.691 26.944 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.520 35.500 28.951 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.125 34.644 27.201 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.770 34.773 25.547 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.511 33.643 26.705 1.00 0.00 H new ATOM 204 N ILE A 13 26.491 35.703 23.819 1.00 0.00 N ATOM 205 CA ILE A 13 26.025 35.915 22.464 1.00 0.00 C ATOM 206 C ILE A 13 24.627 35.323 22.314 1.00 0.00 C ATOM 207 O ILE A 13 24.386 34.185 22.729 1.00 0.00 O ATOM 208 CB ILE A 13 27.043 35.463 21.418 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.140 33.939 21.331 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.329 36.228 21.699 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.271 33.342 20.491 1.00 0.00 C ATOM 0 H ILE A 13 27.268 35.047 23.900 1.00 0.00 H new ATOM 0 HA ILE A 13 25.933 36.983 22.268 1.00 0.00 H new ATOM 0 HB ILE A 13 26.740 35.711 20.401 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.236 33.551 22.345 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.196 33.566 20.935 1.00 0.00 H new ATOM 0 HG21 ILE A 13 29.090 35.938 20.975 1.00 0.00 H new ATOM 0 HG22 ILE A 13 28.140 37.299 21.619 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.678 35.996 22.705 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.213 32.254 20.523 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.176 33.680 19.459 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.232 33.666 20.892 1.00 0.00 H new ATOM 223 N THR A 14 23.683 35.944 21.602 1.00 0.00 N ATOM 224 CA THR A 14 22.389 35.372 21.301 1.00 0.00 C ATOM 225 C THR A 14 22.517 34.791 19.890 1.00 0.00 C ATOM 226 O THR A 14 22.870 35.594 19.039 1.00 0.00 O ATOM 227 CB THR A 14 21.260 36.401 21.423 1.00 0.00 C ATOM 228 OG1 THR A 14 21.002 36.815 22.746 1.00 0.00 O ATOM 229 CG2 THR A 14 19.908 35.800 21.042 1.00 0.00 C ATOM 0 H THR A 14 23.810 36.879 21.215 1.00 0.00 H new ATOM 0 HA THR A 14 22.116 34.596 22.016 1.00 0.00 H new ATOM 0 HB THR A 14 21.608 37.212 20.783 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.273 37.470 22.747 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.132 36.559 21.141 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.943 35.449 20.011 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.683 34.963 21.703 1.00 0.00 H new ATOM 237 N LEU A 15 22.310 33.507 19.638 1.00 0.00 N ATOM 238 CA LEU A 15 22.140 32.909 18.324 1.00 0.00 C ATOM 239 C LEU A 15 20.646 33.020 18.010 1.00 0.00 C ATOM 240 O LEU A 15 19.838 32.932 18.934 1.00 0.00 O ATOM 241 CB LEU A 15 22.462 31.411 18.383 1.00 0.00 C ATOM 242 CG LEU A 15 23.952 31.074 18.332 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.453 31.374 16.915 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.811 31.739 19.407 1.00 0.00 C ATOM 0 H LEU A 15 22.253 32.817 20.387 1.00 0.00 H new ATOM 0 HA LEU A 15 22.784 33.398 17.593 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.042 30.999 19.300 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.962 30.913 17.552 1.00 0.00 H new ATOM 0 HG LEU A 15 24.059 30.015 18.566 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.516 31.143 16.848 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.903 30.764 16.198 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.297 32.429 16.689 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.850 31.435 19.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.737 32.822 19.314 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.460 31.435 20.393 1.00 0.00 H new ATOM 256 N GLU A 16 20.340 33.227 16.740 1.00 0.00 N ATOM 257 CA GLU A 16 19.021 33.169 16.137 1.00 0.00 C ATOM 258 C GLU A 16 18.851 31.828 15.420 1.00 0.00 C ATOM 259 O GLU A 16 19.662 31.455 14.589 1.00 0.00 O ATOM 260 CB GLU A 16 18.773 34.419 15.288 1.00 0.00 C ATOM 261 CG GLU A 16 18.238 35.695 15.925 1.00 0.00 C ATOM 262 CD GLU A 16 16.756 35.632 16.260 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.012 34.951 15.520 1.00 0.00 O ATOM 264 OE2 GLU A 16 16.410 36.313 17.257 1.00 0.00 O ATOM 0 H GLU A 16 21.060 33.457 16.055 1.00 0.00 H new ATOM 0 HA GLU A 16 18.233 33.194 16.890 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.717 34.672 14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.077 34.138 14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.800 35.900 16.836 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.414 36.531 15.248 1.00 0.00 H new ATOM 271 N VAL A 17 17.969 30.935 15.871 1.00 0.00 N ATOM 272 CA VAL A 17 17.855 29.523 15.548 1.00 0.00 C ATOM 273 C VAL A 17 16.426 29.052 15.309 1.00 0.00 C ATOM 274 O VAL A 17 15.423 29.706 15.612 1.00 0.00 O ATOM 275 CB VAL A 17 18.670 28.661 16.513 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.186 28.725 16.364 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.271 28.907 17.971 1.00 0.00 C ATOM 0 H VAL A 17 17.249 31.216 16.536 1.00 0.00 H new ATOM 0 HA VAL A 17 18.314 29.384 14.569 1.00 0.00 H new ATOM 0 HB VAL A 17 18.404 27.646 16.217 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.652 28.072 17.102 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.467 28.399 15.363 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.524 29.749 16.521 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.873 28.276 18.624 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.439 29.954 18.223 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.216 28.667 18.105 1.00 0.00 H new ATOM 287 N GLU A 18 16.316 27.987 14.520 1.00 0.00 N ATOM 288 CA GLU A 18 15.124 27.220 14.221 1.00 0.00 C ATOM 289 C GLU A 18 15.278 25.770 14.692 1.00 0.00 C ATOM 290 O GLU A 18 16.416 25.355 14.862 1.00 0.00 O ATOM 291 CB GLU A 18 14.928 27.346 12.708 1.00 0.00 C ATOM 292 CG GLU A 18 14.394 28.654 12.107 1.00 0.00 C ATOM 293 CD GLU A 18 12.887 28.678 12.277 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.310 28.317 13.324 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.176 29.206 11.391 1.00 0.00 O ATOM 0 H GLU A 18 17.131 27.612 14.035 1.00 0.00 H new ATOM 0 HA GLU A 18 14.244 27.590 14.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.891 27.144 12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.251 26.549 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.846 29.512 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.658 28.722 11.052 1.00 0.00 H new ATOM 302 N PRO A 19 14.218 25.070 15.088 1.00 0.00 N ATOM 303 CA PRO A 19 14.204 23.738 15.653 1.00 0.00 C ATOM 304 C PRO A 19 14.797 22.517 14.936 1.00 0.00 C ATOM 305 O PRO A 19 15.480 21.687 15.527 1.00 0.00 O ATOM 306 CB PRO A 19 12.809 23.421 16.185 1.00 0.00 C ATOM 307 CG PRO A 19 11.914 24.379 15.390 1.00 0.00 C ATOM 308 CD PRO A 19 12.839 25.518 14.988 1.00 0.00 C ATOM 0 HA PRO A 19 14.977 23.861 16.412 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.538 22.379 16.014 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.736 23.597 17.258 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.485 23.889 14.516 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.081 24.738 15.995 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.621 25.838 13.969 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.676 26.380 15.634 1.00 0.00 H new ATOM 316 N SER A 20 14.543 22.505 13.626 1.00 0.00 N ATOM 317 CA SER A 20 14.997 21.492 12.698 1.00 0.00 C ATOM 318 C SER A 20 16.438 21.593 12.199 1.00 0.00 C ATOM 319 O SER A 20 16.928 20.740 11.460 1.00 0.00 O ATOM 320 CB SER A 20 14.102 21.767 11.491 1.00 0.00 C ATOM 321 OG SER A 20 14.089 23.115 11.079 1.00 0.00 O ATOM 0 H SER A 20 13.992 23.235 13.174 1.00 0.00 H new ATOM 0 HA SER A 20 14.953 20.519 13.187 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.433 21.147 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.083 21.462 11.730 1.00 0.00 H new ATOM 0 HG SER A 20 13.498 23.214 10.303 1.00 0.00 H new ATOM 327 N ASP A 21 17.094 22.657 12.665 1.00 0.00 N ATOM 328 CA ASP A 21 18.437 22.969 12.209 1.00 0.00 C ATOM 329 C ASP A 21 19.433 22.071 12.952 1.00 0.00 C ATOM 330 O ASP A 21 19.207 21.793 14.134 1.00 0.00 O ATOM 331 CB ASP A 21 18.739 24.436 12.504 1.00 0.00 C ATOM 332 CG ASP A 21 19.941 25.132 11.883 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.124 24.933 10.655 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.575 25.966 12.548 1.00 0.00 O ATOM 0 H ASP A 21 16.716 23.309 13.352 1.00 0.00 H new ATOM 0 HA ASP A 21 18.521 22.795 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.856 25.007 12.216 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.840 24.529 13.585 1.00 0.00 H new ATOM 339 N THR A 22 20.447 21.542 12.286 1.00 0.00 N ATOM 340 CA THR A 22 21.442 20.551 12.653 1.00 0.00 C ATOM 341 C THR A 22 22.564 21.299 13.376 1.00 0.00 C ATOM 342 O THR A 22 23.007 22.266 12.768 1.00 0.00 O ATOM 343 CB THR A 22 21.901 19.864 11.366 1.00 0.00 C ATOM 344 OG1 THR A 22 22.869 18.847 11.494 1.00 0.00 O ATOM 345 CG2 THR A 22 22.418 20.683 10.181 1.00 0.00 C ATOM 0 H THR A 22 20.612 21.849 11.327 1.00 0.00 H new ATOM 0 HA THR A 22 21.068 19.775 13.321 1.00 0.00 H new ATOM 0 HB THR A 22 20.897 19.500 11.147 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.423 17.990 11.657 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.693 20.012 9.367 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.638 21.364 9.842 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.292 21.257 10.489 1.00 0.00 H new ATOM 353 N ILE A 23 22.966 20.893 14.581 1.00 0.00 N ATOM 354 CA ILE A 23 24.066 21.373 15.391 1.00 0.00 C ATOM 355 C ILE A 23 25.332 21.938 14.742 1.00 0.00 C ATOM 356 O ILE A 23 25.858 22.975 15.122 1.00 0.00 O ATOM 357 CB ILE A 23 24.353 20.348 16.489 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.236 20.250 17.538 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.703 20.244 17.200 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.272 21.274 18.672 1.00 0.00 C ATOM 0 H ILE A 23 22.470 20.139 15.056 1.00 0.00 H new ATOM 0 HA ILE A 23 23.686 22.315 15.786 1.00 0.00 H new ATOM 0 HB ILE A 23 24.404 19.497 15.809 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.278 20.342 17.026 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.268 19.253 17.978 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.665 19.443 17.939 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.483 20.027 16.470 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.925 21.187 17.699 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.433 21.100 19.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.207 21.174 19.223 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.202 22.279 18.257 1.00 0.00 H new ATOM 372 N GLU A 24 25.758 21.261 13.680 1.00 0.00 N ATOM 373 CA GLU A 24 26.836 21.656 12.791 1.00 0.00 C ATOM 374 C GLU A 24 26.510 22.984 12.102 1.00 0.00 C ATOM 375 O GLU A 24 27.480 23.710 11.888 1.00 0.00 O ATOM 376 CB GLU A 24 27.271 20.488 11.908 1.00 0.00 C ATOM 377 CG GLU A 24 26.312 20.136 10.765 1.00 0.00 C ATOM 378 CD GLU A 24 27.181 19.766 9.568 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.771 18.665 9.680 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.382 20.647 8.706 1.00 0.00 O ATOM 0 H GLU A 24 25.335 20.375 13.405 1.00 0.00 H new ATOM 0 HA GLU A 24 27.742 21.885 13.353 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.247 20.720 11.482 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.399 19.607 12.537 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.663 19.306 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.665 20.980 10.528 1.00 0.00 H new ATOM 387 N ASN A 25 25.298 23.381 11.729 1.00 0.00 N ATOM 388 CA ASN A 25 24.978 24.709 11.247 1.00 0.00 C ATOM 389 C ASN A 25 24.985 25.766 12.351 1.00 0.00 C ATOM 390 O ASN A 25 25.013 26.937 11.993 1.00 0.00 O ATOM 391 CB ASN A 25 23.617 24.601 10.547 1.00 0.00 C ATOM 392 CG ASN A 25 23.370 25.724 9.559 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.330 26.272 9.003 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.092 26.046 9.369 1.00 0.00 N ATOM 0 H ASN A 25 24.488 22.762 11.757 1.00 0.00 H new ATOM 0 HA ASN A 25 25.745 25.052 10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.557 23.646 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.827 24.604 11.298 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.846 26.796 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.359 25.542 9.869 1.00 0.00 H new ATOM 401 N VAL A 26 24.951 25.411 13.635 1.00 0.00 N ATOM 402 CA VAL A 26 25.040 26.356 14.729 1.00 0.00 C ATOM 403 C VAL A 26 26.509 26.644 15.077 1.00 0.00 C ATOM 404 O VAL A 26 26.780 27.814 15.335 1.00 0.00 O ATOM 405 CB VAL A 26 24.254 25.865 15.953 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.384 26.636 17.265 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.790 25.550 15.670 1.00 0.00 C ATOM 0 H VAL A 26 24.859 24.442 13.941 1.00 0.00 H new ATOM 0 HA VAL A 26 24.584 27.293 14.409 1.00 0.00 H new ATOM 0 HB VAL A 26 24.799 24.939 16.139 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.768 26.161 18.028 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.425 26.634 17.587 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.052 27.664 17.118 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.307 25.210 16.586 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.288 26.447 15.307 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.726 24.767 14.914 1.00 0.00 H new ATOM 417 N LYS A 27 27.317 25.598 14.945 1.00 0.00 N ATOM 418 CA LYS A 27 28.760 25.642 15.036 1.00 0.00 C ATOM 419 C LYS A 27 29.320 26.523 13.917 1.00 0.00 C ATOM 420 O LYS A 27 30.022 27.478 14.242 1.00 0.00 O ATOM 421 CB LYS A 27 29.317 24.216 15.086 1.00 0.00 C ATOM 422 CG LYS A 27 29.049 23.542 16.435 1.00 0.00 C ATOM 423 CD LYS A 27 29.483 22.082 16.380 1.00 0.00 C ATOM 424 CE LYS A 27 29.688 21.408 17.733 1.00 0.00 C ATOM 425 NZ LYS A 27 30.543 20.202 17.671 1.00 0.00 N ATOM 0 H LYS A 27 26.963 24.659 14.764 1.00 0.00 H new ATOM 0 HA LYS A 27 29.086 26.112 15.964 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.868 23.623 14.289 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.391 24.239 14.899 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.590 24.062 17.225 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.989 23.606 16.679 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.734 21.519 15.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.414 22.019 15.817 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.135 22.125 18.422 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.716 21.133 18.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.821 19.924 18.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.015 19.425 17.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.395 20.409 17.111 1.00 0.00 H new ATOM 439 N ALA A 28 28.809 26.331 12.706 1.00 0.00 N ATOM 440 CA ALA A 28 29.037 27.263 11.621 1.00 0.00 C ATOM 441 C ALA A 28 28.609 28.706 11.850 1.00 0.00 C ATOM 442 O ALA A 28 29.349 29.592 11.429 1.00 0.00 O ATOM 443 CB ALA A 28 28.349 26.741 10.356 1.00 0.00 C ATOM 0 H ALA A 28 28.230 25.530 12.455 1.00 0.00 H new ATOM 0 HA ALA A 28 30.122 27.308 11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.517 27.439 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.761 25.767 10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.278 26.646 10.537 1.00 0.00 H new ATOM 449 N LYS A 29 27.524 28.897 12.600 1.00 0.00 N ATOM 450 CA LYS A 29 26.959 30.188 12.903 1.00 0.00 C ATOM 451 C LYS A 29 27.843 30.916 13.928 1.00 0.00 C ATOM 452 O LYS A 29 27.904 32.140 13.826 1.00 0.00 O ATOM 453 CB LYS A 29 25.518 30.087 13.402 1.00 0.00 C ATOM 454 CG LYS A 29 24.799 31.430 13.227 1.00 0.00 C ATOM 455 CD LYS A 29 23.296 31.284 13.492 1.00 0.00 C ATOM 456 CE LYS A 29 22.531 30.750 12.282 1.00 0.00 C ATOM 457 NZ LYS A 29 21.175 30.271 12.600 1.00 0.00 N ATOM 0 H LYS A 29 27.006 28.126 13.021 1.00 0.00 H new ATOM 0 HA LYS A 29 26.930 30.764 11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.989 29.309 12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.509 29.796 14.452 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.223 32.166 13.910 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.960 31.804 12.216 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.144 30.613 14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.886 32.253 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.461 31.537 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.099 29.934 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.530 30.511 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.193 29.239 12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.843 30.724 13.475 1.00 0.00 H new ATOM 471 N ILE A 30 28.373 30.252 14.947 1.00 0.00 N ATOM 472 CA ILE A 30 29.346 30.753 15.892 1.00 0.00 C ATOM 473 C ILE A 30 30.683 31.171 15.281 1.00 0.00 C ATOM 474 O ILE A 30 31.343 32.130 15.686 1.00 0.00 O ATOM 475 CB ILE A 30 29.517 29.721 17.009 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.226 29.624 17.816 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.617 30.029 18.031 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.075 28.495 18.828 1.00 0.00 C ATOM 0 H ILE A 30 28.113 29.285 15.143 1.00 0.00 H new ATOM 0 HA ILE A 30 28.954 31.686 16.296 1.00 0.00 H new ATOM 0 HB ILE A 30 29.788 28.805 16.483 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.100 30.565 18.351 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.400 29.546 17.109 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.653 29.235 18.777 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.579 30.092 17.522 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.403 30.979 18.521 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.102 28.570 19.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.152 27.535 18.317 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.862 28.571 19.578 1.00 0.00 H new ATOM 490 N GLN A 31 31.064 30.443 14.240 1.00 0.00 N ATOM 491 CA GLN A 31 32.248 30.607 13.418 1.00 0.00 C ATOM 492 C GLN A 31 31.939 31.898 12.678 1.00 0.00 C ATOM 493 O GLN A 31 32.807 32.762 12.532 1.00 0.00 O ATOM 494 CB GLN A 31 32.477 29.365 12.554 1.00 0.00 C ATOM 495 CG GLN A 31 33.739 29.575 11.734 1.00 0.00 C ATOM 496 CD GLN A 31 34.025 28.498 10.702 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.170 27.694 10.329 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.283 28.428 10.278 1.00 0.00 N ATOM 0 H GLN A 31 30.500 29.654 13.924 1.00 0.00 H new ATOM 0 HA GLN A 31 33.197 30.689 13.947 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.576 28.480 13.182 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.623 29.197 11.898 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.666 30.535 11.223 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.589 29.639 12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.970 29.108 10.604 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.562 27.694 9.626 1.00 0.00 H new ATOM 507 N ASP A 32 30.738 32.121 12.133 1.00 0.00 N ATOM 508 CA ASP A 32 30.237 33.268 11.414 1.00 0.00 C ATOM 509 C ASP A 32 30.168 34.558 12.236 1.00 0.00 C ATOM 510 O ASP A 32 29.775 35.607 11.746 1.00 0.00 O ATOM 511 CB ASP A 32 29.028 32.847 10.565 1.00 0.00 C ATOM 512 CG ASP A 32 28.794 33.693 9.322 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.577 33.514 8.356 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.772 34.395 9.244 1.00 0.00 O ATOM 0 H ASP A 32 30.015 31.404 12.202 1.00 0.00 H new ATOM 0 HA ASP A 32 30.971 33.610 10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.160 31.809 10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.134 32.886 11.187 1.00 0.00 H new ATOM 519 N LYS A 33 30.463 34.479 13.534 1.00 0.00 N ATOM 520 CA LYS A 33 30.505 35.537 14.522 1.00 0.00 C ATOM 521 C LYS A 33 31.914 35.716 15.085 1.00 0.00 C ATOM 522 O LYS A 33 32.524 36.744 14.807 1.00 0.00 O ATOM 523 CB LYS A 33 29.405 35.299 15.555 1.00 0.00 C ATOM 524 CG LYS A 33 27.991 35.501 15.000 1.00 0.00 C ATOM 525 CD LYS A 33 26.857 34.709 15.650 1.00 0.00 C ATOM 526 CE LYS A 33 25.495 34.989 15.003 1.00 0.00 C ATOM 527 NZ LYS A 33 25.131 36.392 15.200 1.00 0.00 N ATOM 0 H LYS A 33 30.701 33.580 13.952 1.00 0.00 H new ATOM 0 HA LYS A 33 30.287 36.503 14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.494 34.283 15.941 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.556 35.974 16.397 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.748 36.561 15.077 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.008 35.254 13.938 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.076 33.644 15.580 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.809 34.955 16.711 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.534 34.760 13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.735 34.342 15.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.116 36.517 15.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.337 36.670 16.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.681 36.988 14.549 1.00 0.00 H new ATOM 541 N GLU A 34 32.416 34.845 15.968 1.00 0.00 N ATOM 542 CA GLU A 34 33.685 34.957 16.654 1.00 0.00 C ATOM 543 C GLU A 34 34.823 34.192 15.985 1.00 0.00 C ATOM 544 O GLU A 34 35.944 34.300 16.471 1.00 0.00 O ATOM 545 CB GLU A 34 33.442 34.359 18.040 1.00 0.00 C ATOM 546 CG GLU A 34 32.487 35.243 18.845 1.00 0.00 C ATOM 547 CD GLU A 34 33.212 36.371 19.559 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.320 36.202 20.104 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.542 37.426 19.639 1.00 0.00 O ATOM 0 H GLU A 34 31.910 33.999 16.230 1.00 0.00 H new ATOM 0 HA GLU A 34 33.997 36.001 16.661 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.024 33.357 17.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.389 34.259 18.571 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.734 35.663 18.178 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.959 34.632 19.577 1.00 0.00 H new ATOM 556 N GLY A 35 34.664 33.451 14.890 1.00 0.00 N ATOM 557 CA GLY A 35 35.806 33.009 14.109 1.00 0.00 C ATOM 558 C GLY A 35 36.364 31.641 14.499 1.00 0.00 C ATOM 559 O GLY A 35 37.321 31.212 13.862 1.00 0.00 O ATOM 0 H GLY A 35 33.759 33.148 14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.520 32.982 13.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.600 33.749 14.204 1.00 0.00 H new ATOM 563 N ILE A 36 35.736 30.950 15.445 1.00 0.00 N ATOM 564 CA ILE A 36 36.141 29.673 15.997 1.00 0.00 C ATOM 565 C ILE A 36 35.810 28.545 15.018 1.00 0.00 C ATOM 566 O ILE A 36 34.616 28.343 14.808 1.00 0.00 O ATOM 567 CB ILE A 36 35.474 29.436 17.353 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.505 30.685 18.244 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.179 28.247 18.010 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.779 30.593 19.589 1.00 0.00 C ATOM 0 H ILE A 36 34.875 31.294 15.870 1.00 0.00 H new ATOM 0 HA ILE A 36 37.220 29.686 16.153 1.00 0.00 H new ATOM 0 HB ILE A 36 34.416 29.215 17.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.547 30.938 18.437 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.075 31.514 17.682 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.728 28.049 18.982 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.076 27.367 17.376 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.236 28.478 18.141 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.876 31.540 20.120 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.724 30.379 19.419 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.219 29.795 20.186 1.00 0.00 H new ATOM 582 N PRO A 37 36.790 27.881 14.414 1.00 0.00 N ATOM 583 CA PRO A 37 36.531 26.667 13.672 1.00 0.00 C ATOM 584 C PRO A 37 35.747 25.627 14.452 1.00 0.00 C ATOM 585 O PRO A 37 36.002 25.558 15.659 1.00 0.00 O ATOM 586 CB PRO A 37 37.895 26.178 13.169 1.00 0.00 C ATOM 587 CG PRO A 37 38.914 26.884 14.064 1.00 0.00 C ATOM 588 CD PRO A 37 38.191 28.043 14.745 1.00 0.00 C ATOM 0 HA PRO A 37 35.867 26.865 12.831 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.981 25.094 13.249 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.045 26.433 12.120 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.318 26.194 14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.756 27.249 13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.343 28.019 15.824 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.569 29.002 14.391 1.00 0.00 H new ATOM 596 N PRO A 38 34.682 25.029 13.915 1.00 0.00 N ATOM 597 CA PRO A 38 33.923 23.962 14.541 1.00 0.00 C ATOM 598 C PRO A 38 34.648 22.880 15.333 1.00 0.00 C ATOM 599 O PRO A 38 34.155 22.476 16.377 1.00 0.00 O ATOM 600 CB PRO A 38 33.011 23.392 13.453 1.00 0.00 C ATOM 601 CG PRO A 38 32.740 24.544 12.479 1.00 0.00 C ATOM 602 CD PRO A 38 34.114 25.202 12.593 1.00 0.00 C ATOM 0 HA PRO A 38 33.387 24.424 15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.488 22.555 12.943 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.081 23.017 13.881 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.506 24.208 11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.924 25.193 12.796 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.786 24.774 11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.028 26.265 12.370 1.00 0.00 H new ATOM 610 N ASP A 39 35.840 22.472 14.899 1.00 0.00 N ATOM 611 CA ASP A 39 36.565 21.420 15.586 1.00 0.00 C ATOM 612 C ASP A 39 37.085 21.847 16.960 1.00 0.00 C ATOM 613 O ASP A 39 37.432 21.026 17.807 1.00 0.00 O ATOM 614 CB ASP A 39 37.721 20.914 14.730 1.00 0.00 C ATOM 615 CG ASP A 39 38.915 21.833 14.502 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.858 22.670 13.577 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.864 21.706 15.300 1.00 0.00 O ATOM 0 H ASP A 39 36.315 22.854 14.081 1.00 0.00 H new ATOM 0 HA ASP A 39 35.849 20.615 15.750 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.092 19.995 15.184 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.318 20.646 13.753 1.00 0.00 H new ATOM 622 N GLN A 40 37.091 23.129 17.316 1.00 0.00 N ATOM 623 CA GLN A 40 37.402 23.693 18.618 1.00 0.00 C ATOM 624 C GLN A 40 36.151 23.870 19.485 1.00 0.00 C ATOM 625 O GLN A 40 36.166 24.195 20.672 1.00 0.00 O ATOM 626 CB GLN A 40 37.918 25.099 18.323 1.00 0.00 C ATOM 627 CG GLN A 40 39.350 25.085 17.768 1.00 0.00 C ATOM 628 CD GLN A 40 40.344 25.967 18.516 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.018 27.105 18.836 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.458 25.432 19.000 1.00 0.00 N ATOM 0 H GLN A 40 36.858 23.858 16.641 1.00 0.00 H new ATOM 0 HA GLN A 40 38.099 23.041 19.145 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.256 25.584 17.605 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.889 25.694 19.236 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.718 24.059 17.781 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.322 25.401 16.725 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.727 24.485 18.732 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.045 25.968 19.640 1.00 0.00 H new ATOM 639 N GLN A 41 34.984 23.603 18.892 1.00 0.00 N ATOM 640 CA GLN A 41 33.728 23.911 19.552 1.00 0.00 C ATOM 641 C GLN A 41 33.066 22.608 19.992 1.00 0.00 C ATOM 642 O GLN A 41 32.610 21.856 19.134 1.00 0.00 O ATOM 643 CB GLN A 41 32.720 24.463 18.550 1.00 0.00 C ATOM 644 CG GLN A 41 33.129 25.820 17.971 1.00 0.00 C ATOM 645 CD GLN A 41 32.018 26.533 17.211 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.854 26.271 17.494 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.356 27.322 16.201 1.00 0.00 N ATOM 0 H GLN A 41 34.890 23.180 17.969 1.00 0.00 H new ATOM 0 HA GLN A 41 33.954 24.604 20.363 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.598 23.749 17.735 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.749 24.560 19.036 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.468 26.462 18.784 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.978 25.677 17.302 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.340 27.509 16.007 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.632 27.742 15.618 1.00 0.00 H new ATOM 656 N ARG A 42 33.087 22.368 21.297 1.00 0.00 N ATOM 657 CA ARG A 42 32.147 21.504 21.986 1.00 0.00 C ATOM 658 C ARG A 42 30.997 22.399 22.466 1.00 0.00 C ATOM 659 O ARG A 42 31.259 23.389 23.126 1.00 0.00 O ATOM 660 CB ARG A 42 32.782 20.760 23.159 1.00 0.00 C ATOM 661 CG ARG A 42 31.865 19.649 23.685 1.00 0.00 C ATOM 662 CD ARG A 42 32.647 18.853 24.718 1.00 0.00 C ATOM 663 NE ARG A 42 33.212 17.656 24.078 1.00 0.00 N ATOM 664 CZ ARG A 42 34.309 16.948 24.380 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.083 17.288 25.416 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.473 15.789 23.724 1.00 0.00 N ATOM 0 H ARG A 42 33.780 22.783 21.920 1.00 0.00 H new ATOM 0 HA ARG A 42 31.795 20.728 21.306 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.733 20.330 22.846 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.000 21.464 23.962 1.00 0.00 H new ATOM 0 HG2 ARG A 42 30.966 20.074 24.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.541 19.003 22.869 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.444 19.465 25.140 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.995 18.566 25.543 1.00 0.00 H new ATOM 0 HE ARG A 42 32.685 17.309 23.276 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.842 18.096 25.989 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.915 16.739 25.633 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.781 15.490 23.037 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.290 15.207 23.912 1.00 0.00 H new ATOM 680 N LEU A 43 29.743 21.997 22.259 1.00 0.00 N ATOM 681 CA LEU A 43 28.610 22.679 22.847 1.00 0.00 C ATOM 682 C LEU A 43 27.970 21.722 23.853 1.00 0.00 C ATOM 683 O LEU A 43 28.018 20.495 23.728 1.00 0.00 O ATOM 684 CB LEU A 43 27.706 23.121 21.694 1.00 0.00 C ATOM 685 CG LEU A 43 28.263 24.132 20.692 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.239 24.431 19.598 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.819 25.343 21.444 1.00 0.00 C ATOM 0 H LEU A 43 29.494 21.194 21.682 1.00 0.00 H new ATOM 0 HA LEU A 43 28.862 23.580 23.406 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.411 22.230 21.140 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.798 23.543 22.125 1.00 0.00 H new ATOM 0 HG LEU A 43 29.112 23.720 20.147 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.657 25.153 18.896 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.993 23.511 19.069 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.336 24.843 20.048 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.216 26.064 20.730 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.022 25.808 22.024 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.615 25.021 22.115 1.00 0.00 H new ATOM 699 N ILE A 44 27.488 22.361 24.912 1.00 0.00 N ATOM 700 CA ILE A 44 27.091 21.732 26.159 1.00 0.00 C ATOM 701 C ILE A 44 25.712 22.308 26.501 1.00 0.00 C ATOM 702 O ILE A 44 25.531 23.521 26.410 1.00 0.00 O ATOM 703 CB ILE A 44 28.203 21.775 27.208 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.390 20.915 26.778 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.674 21.488 28.615 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.359 19.394 26.911 1.00 0.00 C ATOM 0 H ILE A 44 27.359 23.373 24.923 1.00 0.00 H new ATOM 0 HA ILE A 44 26.961 20.652 26.094 1.00 0.00 H new ATOM 0 HB ILE A 44 28.589 22.792 27.271 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.580 21.138 25.728 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.256 21.265 27.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.497 21.529 29.328 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.926 22.234 28.882 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.222 20.496 28.639 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.299 18.978 26.549 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.221 19.123 27.958 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.535 18.994 26.321 1.00 0.00 H new ATOM 718 N PHE A 45 24.841 21.397 26.922 1.00 0.00 N ATOM 719 CA PHE A 45 23.492 21.649 27.368 1.00 0.00 C ATOM 720 C PHE A 45 23.211 20.635 28.489 1.00 0.00 C ATOM 721 O PHE A 45 23.478 19.448 28.282 1.00 0.00 O ATOM 722 CB PHE A 45 22.522 21.654 26.185 1.00 0.00 C ATOM 723 CG PHE A 45 21.061 21.931 26.426 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.692 23.226 26.807 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.091 20.908 26.389 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.358 23.501 27.109 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.741 21.161 26.618 1.00 0.00 C ATOM 728 CZ PHE A 45 18.415 22.462 27.027 1.00 0.00 C ATOM 0 H PHE A 45 25.081 20.406 26.960 1.00 0.00 H new ATOM 0 HA PHE A 45 23.351 22.644 27.791 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.882 22.395 25.471 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.594 20.681 25.699 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.435 24.007 26.867 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.405 19.897 26.176 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.055 24.496 27.401 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.988 20.398 26.488 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.390 22.676 27.292 1.00 0.00 H new ATOM 738 N ALA A 46 22.963 21.131 29.694 1.00 0.00 N ATOM 739 CA ALA A 46 23.078 20.391 30.931 1.00 0.00 C ATOM 740 C ALA A 46 24.525 19.955 31.189 1.00 0.00 C ATOM 741 O ALA A 46 25.340 20.791 31.559 1.00 0.00 O ATOM 742 CB ALA A 46 22.024 19.304 31.178 1.00 0.00 C ATOM 0 H ALA A 46 22.666 22.096 29.835 1.00 0.00 H new ATOM 0 HA ALA A 46 22.815 21.105 31.712 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.217 18.821 32.136 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.032 19.756 31.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.073 18.562 30.381 1.00 0.00 H new ATOM 748 N GLY A 47 24.768 18.693 30.836 1.00 0.00 N ATOM 749 CA GLY A 47 26.123 18.215 30.633 1.00 0.00 C ATOM 750 C GLY A 47 26.455 17.410 29.372 1.00 0.00 C ATOM 751 O GLY A 47 27.467 16.704 29.392 1.00 0.00 O ATOM 0 H GLY A 47 24.043 17.991 30.687 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.782 19.083 30.650 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.385 17.599 31.493 1.00 0.00 H new ATOM 755 N LYS A 48 25.532 17.390 28.422 1.00 0.00 N ATOM 756 CA LYS A 48 25.415 16.480 27.297 1.00 0.00 C ATOM 757 C LYS A 48 26.264 17.087 26.184 1.00 0.00 C ATOM 758 O LYS A 48 25.987 18.174 25.678 1.00 0.00 O ATOM 759 CB LYS A 48 24.018 16.322 26.708 1.00 0.00 C ATOM 760 CG LYS A 48 22.937 15.697 27.587 1.00 0.00 C ATOM 761 CD LYS A 48 21.581 15.422 26.951 1.00 0.00 C ATOM 762 CE LYS A 48 20.655 14.746 27.974 1.00 0.00 C ATOM 763 NZ LYS A 48 20.309 15.603 29.116 1.00 0.00 N ATOM 0 H LYS A 48 24.777 18.075 28.421 1.00 0.00 H new ATOM 0 HA LYS A 48 25.713 15.497 27.661 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.671 17.309 26.402 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.103 15.720 25.804 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.323 14.754 27.975 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.779 16.353 28.443 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.136 16.354 26.604 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.702 14.782 26.077 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.738 14.437 27.472 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.136 13.841 28.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.556 15.152 29.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.148 15.739 29.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.978 16.526 28.770 1.00 0.00 H new ATOM 777 N GLN A 49 27.193 16.322 25.605 1.00 0.00 N ATOM 778 CA GLN A 49 27.933 16.680 24.417 1.00 0.00 C ATOM 779 C GLN A 49 27.005 16.525 23.206 1.00 0.00 C ATOM 780 O GLN A 49 26.709 15.410 22.802 1.00 0.00 O ATOM 781 CB GLN A 49 29.115 15.738 24.205 1.00 0.00 C ATOM 782 CG GLN A 49 30.348 15.963 25.090 1.00 0.00 C ATOM 783 CD GLN A 49 30.291 15.405 26.500 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.942 15.934 27.395 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.388 14.490 26.865 1.00 0.00 N ATOM 0 H GLN A 49 27.451 15.406 25.972 1.00 0.00 H new ATOM 0 HA GLN A 49 28.296 17.702 24.529 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.767 14.717 24.361 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.427 15.813 23.163 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.211 15.527 24.587 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.527 17.036 25.157 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.822 14.022 26.158 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.265 14.260 27.851 1.00 0.00 H new ATOM 794 N LEU A 50 26.505 17.650 22.700 1.00 0.00 N ATOM 795 CA LEU A 50 25.647 17.839 21.545 1.00 0.00 C ATOM 796 C LEU A 50 26.381 17.369 20.287 1.00 0.00 C ATOM 797 O LEU A 50 27.485 17.808 19.973 1.00 0.00 O ATOM 798 CB LEU A 50 25.245 19.302 21.354 1.00 0.00 C ATOM 799 CG LEU A 50 24.323 19.878 22.427 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.991 21.318 22.025 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.989 19.184 22.671 1.00 0.00 C ATOM 0 H LEU A 50 26.718 18.545 23.141 1.00 0.00 H new ATOM 0 HA LEU A 50 24.741 17.257 21.714 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.151 19.907 21.316 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.754 19.402 20.386 1.00 0.00 H new ATOM 0 HG LEU A 50 24.885 19.754 23.353 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.332 21.761 22.771 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.911 21.899 21.962 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.493 21.320 21.055 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.446 19.706 23.459 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.399 19.197 21.754 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.166 18.152 22.974 1.00 0.00 H new ATOM 813 N GLU A 51 25.893 16.363 19.568 1.00 0.00 N ATOM 814 CA GLU A 51 26.571 15.774 18.430 1.00 0.00 C ATOM 815 C GLU A 51 26.242 16.431 17.090 1.00 0.00 C ATOM 816 O GLU A 51 25.151 16.918 16.784 1.00 0.00 O ATOM 817 CB GLU A 51 26.089 14.325 18.324 1.00 0.00 C ATOM 818 CG GLU A 51 26.872 13.376 17.424 1.00 0.00 C ATOM 819 CD GLU A 51 26.181 12.058 17.107 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.330 11.593 17.896 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.530 11.452 16.063 1.00 0.00 O ATOM 0 H GLU A 51 24.993 15.928 19.770 1.00 0.00 H new ATOM 0 HA GLU A 51 27.641 15.892 18.603 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.080 13.902 19.328 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.056 14.341 17.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.089 13.888 16.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.829 13.160 17.898 1.00 0.00 H new ATOM 828 N ASP A 52 27.286 16.440 16.265 1.00 0.00 N ATOM 829 CA ASP A 52 27.241 16.927 14.906 1.00 0.00 C ATOM 830 C ASP A 52 26.514 15.974 13.956 1.00 0.00 C ATOM 831 O ASP A 52 26.733 14.772 13.815 1.00 0.00 O ATOM 832 CB ASP A 52 28.687 17.017 14.419 1.00 0.00 C ATOM 833 CG ASP A 52 29.514 18.152 15.012 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.912 18.140 16.194 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.945 18.970 14.182 1.00 0.00 O ATOM 0 H ASP A 52 28.207 16.098 16.539 1.00 0.00 H new ATOM 0 HA ASP A 52 26.711 17.879 14.905 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.186 16.074 14.642 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.680 17.125 13.334 1.00 0.00 H new ATOM 840 N GLY A 53 25.442 16.542 13.426 1.00 0.00 N ATOM 841 CA GLY A 53 24.427 16.049 12.508 1.00 0.00 C ATOM 842 C GLY A 53 23.061 15.969 13.179 1.00 0.00 C ATOM 843 O GLY A 53 22.063 16.029 12.464 1.00 0.00 O ATOM 0 H GLY A 53 25.235 17.510 13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.370 16.706 11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.713 15.063 12.143 1.00 0.00 H new ATOM 847 N ARG A 54 22.921 15.985 14.506 1.00 0.00 N ATOM 848 CA ARG A 54 21.670 15.995 15.230 1.00 0.00 C ATOM 849 C ARG A 54 21.188 17.435 15.405 1.00 0.00 C ATOM 850 O ARG A 54 21.973 18.374 15.458 1.00 0.00 O ATOM 851 CB ARG A 54 21.735 15.363 16.617 1.00 0.00 C ATOM 852 CG ARG A 54 22.160 13.894 16.557 1.00 0.00 C ATOM 853 CD ARG A 54 21.730 12.965 17.692 1.00 0.00 C ATOM 854 NE ARG A 54 22.605 11.799 17.641 1.00 0.00 N ATOM 855 CZ ARG A 54 22.491 10.723 16.860 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.364 10.517 16.148 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.448 9.786 16.894 1.00 0.00 N ATOM 0 H ARG A 54 23.728 15.992 15.129 1.00 0.00 H new ATOM 0 HA ARG A 54 20.987 15.395 14.628 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.439 15.919 17.236 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.759 15.439 17.096 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.780 13.477 15.625 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.248 13.865 16.499 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.813 13.468 18.655 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.687 12.670 17.575 1.00 0.00 H new ATOM 0 HE ARG A 54 23.400 11.807 18.280 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.595 11.185 16.205 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.281 9.693 15.552 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.252 9.900 17.512 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.373 8.959 16.302 1.00 0.00 H new ATOM 871 N THR A 55 19.856 17.526 15.444 1.00 0.00 N ATOM 872 CA THR A 55 19.162 18.798 15.576 1.00 0.00 C ATOM 873 C THR A 55 18.786 19.124 17.018 1.00 0.00 C ATOM 874 O THR A 55 18.683 18.323 17.947 1.00 0.00 O ATOM 875 CB THR A 55 17.956 18.687 14.645 1.00 0.00 C ATOM 876 OG1 THR A 55 17.117 17.658 15.124 1.00 0.00 O ATOM 877 CG2 THR A 55 18.312 18.248 13.229 1.00 0.00 C ATOM 0 H THR A 55 19.235 16.719 15.385 1.00 0.00 H new ATOM 0 HA THR A 55 19.801 19.636 15.296 1.00 0.00 H new ATOM 0 HB THR A 55 17.506 19.679 14.624 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.510 16.787 14.906 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.405 18.192 12.627 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.998 18.970 12.786 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.788 17.268 13.261 1.00 0.00 H new ATOM 885 N LEU A 56 18.352 20.356 17.248 1.00 0.00 N ATOM 886 CA LEU A 56 17.811 20.912 18.471 1.00 0.00 C ATOM 887 C LEU A 56 16.523 20.188 18.894 1.00 0.00 C ATOM 888 O LEU A 56 16.223 19.897 20.045 1.00 0.00 O ATOM 889 CB LEU A 56 17.546 22.413 18.349 1.00 0.00 C ATOM 890 CG LEU A 56 18.737 23.305 17.988 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.276 24.761 17.892 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.734 23.242 19.145 1.00 0.00 C ATOM 0 H LEU A 56 18.374 21.056 16.506 1.00 0.00 H new ATOM 0 HA LEU A 56 18.568 20.762 19.241 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.773 22.560 17.595 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.137 22.762 19.297 1.00 0.00 H new ATOM 0 HG LEU A 56 19.170 22.973 17.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.125 25.395 17.635 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.510 24.850 17.122 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.865 25.076 18.851 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.596 23.869 18.917 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.256 23.600 20.057 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.062 22.212 19.287 1.00 0.00 H new ATOM 904 N SER A 57 15.725 19.795 17.908 1.00 0.00 N ATOM 905 CA SER A 57 14.447 19.117 18.068 1.00 0.00 C ATOM 906 C SER A 57 14.710 17.724 18.630 1.00 0.00 C ATOM 907 O SER A 57 14.027 17.395 19.595 1.00 0.00 O ATOM 908 CB SER A 57 13.624 19.095 16.780 1.00 0.00 C ATOM 909 OG SER A 57 12.279 18.701 16.947 1.00 0.00 O ATOM 0 H SER A 57 15.965 19.949 16.928 1.00 0.00 H new ATOM 0 HA SER A 57 13.829 19.674 18.772 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.645 20.090 16.335 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.101 18.418 16.071 1.00 0.00 H new ATOM 0 HG SER A 57 11.824 18.715 16.079 1.00 0.00 H new ATOM 915 N ASP A 58 15.794 17.090 18.178 1.00 0.00 N ATOM 916 CA ASP A 58 16.261 15.801 18.624 1.00 0.00 C ATOM 917 C ASP A 58 16.631 15.841 20.112 1.00 0.00 C ATOM 918 O ASP A 58 16.317 14.908 20.839 1.00 0.00 O ATOM 919 CB ASP A 58 17.452 15.289 17.814 1.00 0.00 C ATOM 920 CG ASP A 58 17.262 14.959 16.330 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.195 14.376 16.053 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.202 15.345 15.602 1.00 0.00 O ATOM 0 H ASP A 58 16.391 17.492 17.455 1.00 0.00 H new ATOM 0 HA ASP A 58 15.435 15.107 18.469 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.242 16.036 17.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.820 14.388 18.306 1.00 0.00 H new ATOM 927 N TYR A 59 17.413 16.821 20.567 1.00 0.00 N ATOM 928 CA TYR A 59 17.749 17.176 21.928 1.00 0.00 C ATOM 929 C TYR A 59 16.761 18.023 22.727 1.00 0.00 C ATOM 930 O TYR A 59 17.109 18.412 23.846 1.00 0.00 O ATOM 931 CB TYR A 59 19.043 17.982 21.892 1.00 0.00 C ATOM 932 CG TYR A 59 20.284 17.183 21.531 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.697 16.157 22.388 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.059 17.493 20.408 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.779 15.330 22.070 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.223 16.775 20.174 1.00 0.00 C ATOM 937 CZ TYR A 59 22.495 15.607 20.898 1.00 0.00 C ATOM 938 OH TYR A 59 23.512 14.840 20.398 1.00 0.00 O ATOM 0 H TYR A 59 17.873 17.450 19.908 1.00 0.00 H new ATOM 0 HA TYR A 59 17.784 16.212 22.436 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.929 18.793 21.173 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.195 18.441 22.869 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.168 16.000 23.316 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.756 18.280 19.733 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.054 14.503 22.708 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.924 17.119 19.428 1.00 0.00 H new ATOM 0 HH TYR A 59 23.368 13.903 20.647 1.00 0.00 H new ATOM 948 N ASN A 60 15.563 18.273 22.208 1.00 0.00 N ATOM 949 CA ASN A 60 14.440 18.885 22.891 1.00 0.00 C ATOM 950 C ASN A 60 14.775 20.309 23.313 1.00 0.00 C ATOM 951 O ASN A 60 14.059 20.891 24.134 1.00 0.00 O ATOM 952 CB ASN A 60 13.884 18.031 24.035 1.00 0.00 C ATOM 953 CG ASN A 60 13.126 16.787 23.600 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.109 16.945 22.929 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.640 15.592 23.890 1.00 0.00 N ATOM 0 H ASN A 60 15.342 18.038 21.240 1.00 0.00 H new ATOM 0 HA ASN A 60 13.621 18.942 22.174 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.711 17.728 24.677 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.221 18.649 24.640 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.185 14.745 23.549 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.488 15.525 24.452 1.00 0.00 H new ATOM 962 N ILE A 61 15.756 20.963 22.699 1.00 0.00 N ATOM 963 CA ILE A 61 16.058 22.351 22.976 1.00 0.00 C ATOM 964 C ILE A 61 15.012 23.226 22.276 1.00 0.00 C ATOM 965 O ILE A 61 14.463 22.930 21.225 1.00 0.00 O ATOM 966 CB ILE A 61 17.468 22.693 22.495 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.492 21.772 23.160 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.842 24.152 22.741 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.937 22.113 22.780 1.00 0.00 C ATOM 0 H ILE A 61 16.361 20.539 21.996 1.00 0.00 H new ATOM 0 HA ILE A 61 16.023 22.535 24.050 1.00 0.00 H new ATOM 0 HB ILE A 61 17.477 22.539 21.416 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.382 21.836 24.243 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.282 20.740 22.879 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.854 24.334 22.379 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.144 24.801 22.211 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.795 24.364 23.809 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.617 21.425 23.283 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.061 22.022 21.701 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.162 23.135 23.086 1.00 0.00 H new ATOM 981 N GLN A 62 14.686 24.330 22.949 1.00 0.00 N ATOM 982 CA GLN A 62 13.554 25.189 22.657 1.00 0.00 C ATOM 983 C GLN A 62 13.972 26.658 22.684 1.00 0.00 C ATOM 984 O GLN A 62 15.165 26.938 22.717 1.00 0.00 O ATOM 985 CB GLN A 62 12.331 24.796 23.477 1.00 0.00 C ATOM 986 CG GLN A 62 12.651 24.807 24.976 1.00 0.00 C ATOM 987 CD GLN A 62 11.445 24.336 25.764 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.318 24.575 25.336 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.683 23.788 26.947 1.00 0.00 N ATOM 0 H GLN A 62 15.232 24.658 23.746 1.00 0.00 H new ATOM 0 HA GLN A 62 13.214 25.038 21.633 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.513 25.486 23.271 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.993 23.803 23.180 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.504 24.160 25.179 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.931 25.813 25.290 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.643 23.615 27.245 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.906 23.539 27.560 1.00 0.00 H new ATOM 998 N LYS A 63 13.077 27.618 22.494 1.00 0.00 N ATOM 999 CA LYS A 63 13.323 29.043 22.622 1.00 0.00 C ATOM 1000 C LYS A 63 13.856 29.471 23.991 1.00 0.00 C ATOM 1001 O LYS A 63 13.196 29.073 24.937 1.00 0.00 O ATOM 1002 CB LYS A 63 12.090 29.847 22.220 1.00 0.00 C ATOM 1003 CG LYS A 63 11.106 30.496 23.189 1.00 0.00 C ATOM 1004 CD LYS A 63 10.080 31.362 22.464 1.00 0.00 C ATOM 1005 CE LYS A 63 9.428 32.405 23.381 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.507 33.197 22.562 1.00 0.00 N ATOM 0 H LYS A 63 12.113 27.411 22.234 1.00 0.00 H new ATOM 0 HA LYS A 63 14.130 29.268 21.925 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.454 30.652 21.582 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.495 29.185 21.590 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.591 29.721 23.756 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.653 31.106 23.907 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.565 31.870 21.630 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.306 30.722 22.041 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.894 31.918 24.197 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.186 33.045 23.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.046 33.916 23.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.036 33.665 21.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.784 32.573 22.150 1.00 0.00 H new ATOM 1020 N GLU A 64 14.907 30.287 24.054 1.00 0.00 N ATOM 1021 CA GLU A 64 15.380 30.859 25.303 1.00 0.00 C ATOM 1022 C GLU A 64 16.043 29.882 26.274 1.00 0.00 C ATOM 1023 O GLU A 64 15.760 29.737 27.466 1.00 0.00 O ATOM 1024 CB GLU A 64 14.287 31.736 25.934 1.00 0.00 C ATOM 1025 CG GLU A 64 14.796 32.729 26.983 1.00 0.00 C ATOM 1026 CD GLU A 64 13.733 33.737 27.400 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.665 33.862 26.770 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.129 34.552 28.260 1.00 0.00 O ATOM 0 H GLU A 64 15.451 30.567 23.238 1.00 0.00 H new ATOM 0 HA GLU A 64 16.220 31.503 25.044 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.782 32.290 25.143 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.542 31.089 26.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.136 32.181 27.862 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.660 33.261 26.585 1.00 0.00 H new ATOM 1035 N SER A 65 16.954 29.093 25.739 1.00 0.00 N ATOM 1036 CA SER A 65 17.661 28.084 26.509 1.00 0.00 C ATOM 1037 C SER A 65 19.147 28.460 26.472 1.00 0.00 C ATOM 1038 O SER A 65 19.583 29.033 25.472 1.00 0.00 O ATOM 1039 CB SER A 65 17.459 26.755 25.792 1.00 0.00 C ATOM 1040 OG SER A 65 16.208 26.418 25.235 1.00 0.00 O ATOM 0 H SER A 65 17.226 29.132 24.757 1.00 0.00 H new ATOM 0 HA SER A 65 17.309 28.016 27.539 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.191 26.712 24.985 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.717 25.967 26.499 1.00 0.00 H new ATOM 0 HG SER A 65 16.157 26.756 24.316 1.00 0.00 H new ATOM 1046 N THR A 66 19.975 28.109 27.451 1.00 0.00 N ATOM 1047 CA THR A 66 21.375 28.427 27.623 1.00 0.00 C ATOM 1048 C THR A 66 22.202 27.161 27.373 1.00 0.00 C ATOM 1049 O THR A 66 22.066 26.217 28.137 1.00 0.00 O ATOM 1050 CB THR A 66 21.663 28.899 29.049 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.117 30.197 29.166 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.122 28.988 29.495 1.00 0.00 C ATOM 0 H THR A 66 19.638 27.533 28.222 1.00 0.00 H new ATOM 0 HA THR A 66 21.634 29.221 26.923 1.00 0.00 H new ATOM 0 HB THR A 66 21.227 28.132 29.689 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.278 30.539 30.070 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.166 29.337 30.527 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.585 28.004 29.424 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.657 29.687 28.852 1.00 0.00 H new ATOM 1060 N LEU A 67 23.049 27.198 26.341 1.00 0.00 N ATOM 1061 CA LEU A 67 24.084 26.213 26.110 1.00 0.00 C ATOM 1062 C LEU A 67 25.390 26.907 26.491 1.00 0.00 C ATOM 1063 O LEU A 67 25.447 28.131 26.398 1.00 0.00 O ATOM 1064 CB LEU A 67 24.215 26.014 24.603 1.00 0.00 C ATOM 1065 CG LEU A 67 23.118 25.246 23.867 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.782 25.981 23.689 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.759 24.971 22.502 1.00 0.00 C ATOM 0 H LEU A 67 23.026 27.933 25.634 1.00 0.00 H new ATOM 0 HA LEU A 67 23.876 25.286 26.644 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.293 27.000 24.145 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.159 25.501 24.418 1.00 0.00 H new ATOM 0 HG LEU A 67 22.827 24.367 24.442 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.082 25.339 23.154 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.371 26.230 24.667 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.943 26.896 23.119 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.059 24.418 21.876 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.008 25.916 22.020 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.667 24.383 22.638 1.00 0.00 H new ATOM 1079 N HIS A 68 26.436 26.141 26.800 1.00 0.00 N ATOM 1080 CA HIS A 68 27.828 26.500 26.972 1.00 0.00 C ATOM 1081 C HIS A 68 28.633 26.076 25.735 1.00 0.00 C ATOM 1082 O HIS A 68 28.609 24.894 25.392 1.00 0.00 O ATOM 1083 CB HIS A 68 28.343 25.745 28.204 1.00 0.00 C ATOM 1084 CG HIS A 68 27.621 26.142 29.472 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.681 27.485 29.810 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.908 25.502 30.452 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.963 27.595 30.927 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.372 26.446 31.299 1.00 0.00 N ATOM 0 H HIS A 68 26.303 25.141 26.951 1.00 0.00 H new ATOM 0 HA HIS A 68 27.936 27.577 27.100 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.226 24.673 28.044 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.410 25.935 28.323 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.787 24.433 30.545 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.865 28.518 31.480 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.684 26.306 32.039 1.00 0.00 H new ATOM 1096 N LEU A 69 29.307 27.052 25.144 1.00 0.00 N ATOM 1097 CA LEU A 69 30.389 26.972 24.175 1.00 0.00 C ATOM 1098 C LEU A 69 31.686 26.724 24.939 1.00 0.00 C ATOM 1099 O LEU A 69 32.144 27.655 25.607 1.00 0.00 O ATOM 1100 CB LEU A 69 30.379 28.242 23.326 1.00 0.00 C ATOM 1101 CG LEU A 69 31.423 28.741 22.324 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.654 27.974 21.026 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.296 30.206 21.898 1.00 0.00 C ATOM 0 H LEU A 69 29.084 28.025 25.355 1.00 0.00 H new ATOM 0 HA LEU A 69 30.275 26.144 23.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.450 28.190 22.758 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.270 29.056 24.043 1.00 0.00 H new ATOM 0 HG LEU A 69 32.274 28.563 22.982 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.427 28.472 20.442 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.972 26.957 21.256 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.728 27.944 20.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.087 30.448 21.188 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.325 30.366 21.429 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.386 30.849 22.774 1.00 0.00 H new ATOM 1115 N VAL A 70 32.282 25.552 24.745 1.00 0.00 N ATOM 1116 CA VAL A 70 33.479 25.039 25.383 1.00 0.00 C ATOM 1117 C VAL A 70 34.437 24.373 24.392 1.00 0.00 C ATOM 1118 O VAL A 70 34.082 24.067 23.255 1.00 0.00 O ATOM 1119 CB VAL A 70 33.027 24.214 26.593 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.023 24.131 27.747 1.00 0.00 C ATOM 1121 CG2 VAL A 70 31.649 24.601 27.113 1.00 0.00 C ATOM 0 H VAL A 70 31.902 24.881 24.077 1.00 0.00 H new ATOM 0 HA VAL A 70 34.116 25.836 25.766 1.00 0.00 H new ATOM 0 HB VAL A 70 32.969 23.209 26.174 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.601 23.524 28.548 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.949 23.676 27.396 1.00 0.00 H new ATOM 0 HG13 VAL A 70 34.230 25.133 28.121 1.00 0.00 H new ATOM 0 HG21 VAL A 70 31.395 23.976 27.969 1.00 0.00 H new ATOM 0 HG22 VAL A 70 31.656 25.648 27.417 1.00 0.00 H new ATOM 0 HG23 VAL A 70 30.909 24.456 26.326 1.00 0.00 H new ATOM 1131 N LEU A 71 35.729 24.421 24.704 1.00 0.00 N ATOM 1132 CA LEU A 71 36.865 23.913 23.980 1.00 0.00 C ATOM 1133 C LEU A 71 36.832 22.416 24.286 1.00 0.00 C ATOM 1134 O LEU A 71 36.775 22.081 25.467 1.00 0.00 O ATOM 1135 CB LEU A 71 38.218 24.420 24.504 1.00 0.00 C ATOM 1136 CG LEU A 71 38.656 25.742 23.870 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.707 26.550 24.623 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.186 25.548 22.445 1.00 0.00 C ATOM 0 H LEU A 71 36.026 24.870 25.570 1.00 0.00 H new ATOM 0 HA LEU A 71 36.795 24.210 22.934 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.157 24.546 25.585 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.980 23.664 24.314 1.00 0.00 H new ATOM 0 HG LEU A 71 37.728 26.313 23.897 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.930 27.462 24.070 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.328 26.809 25.612 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.616 25.957 24.727 1.00 0.00 H new ATOM 0 HD21 LEU A 71 39.485 26.512 22.034 1.00 0.00 H new ATOM 0 HD22 LEU A 71 40.046 24.879 22.465 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.404 25.115 21.822 1.00 0.00 H new ATOM 1150 N ARG A 72 37.014 21.516 23.335 1.00 0.00 N ATOM 1151 CA ARG A 72 37.591 20.192 23.272 1.00 0.00 C ATOM 1152 C ARG A 72 39.066 20.429 22.906 1.00 0.00 C ATOM 1153 O ARG A 72 39.306 21.101 21.902 1.00 0.00 O ATOM 1154 CB ARG A 72 36.855 19.435 22.163 1.00 0.00 C ATOM 1155 CG ARG A 72 37.027 17.915 22.107 1.00 0.00 C ATOM 1156 CD ARG A 72 36.417 17.320 20.845 1.00 0.00 C ATOM 1157 NE ARG A 72 36.418 15.860 20.963 1.00 0.00 N ATOM 1158 CZ ARG A 72 36.279 14.944 20.002 1.00 0.00 C ATOM 1159 NH1 ARG A 72 36.057 15.436 18.767 1.00 0.00 N ATOM 1160 NH2 ARG A 72 36.248 13.617 20.118 1.00 0.00 N ATOM 0 H ARG A 72 36.688 21.761 22.400 1.00 0.00 H new ATOM 0 HA ARG A 72 37.512 19.615 24.193 1.00 0.00 H new ATOM 0 HB2 ARG A 72 35.791 19.649 22.260 1.00 0.00 H new ATOM 0 HB3 ARG A 72 37.177 19.845 21.206 1.00 0.00 H new ATOM 0 HG2 ARG A 72 38.088 17.668 22.149 1.00 0.00 H new ATOM 0 HG3 ARG A 72 36.560 17.464 22.983 1.00 0.00 H new ATOM 0 HD2 ARG A 72 35.400 17.687 20.708 1.00 0.00 H new ATOM 0 HD3 ARG A 72 36.987 17.628 19.969 1.00 0.00 H new ATOM 0 HE ARG A 72 36.542 15.494 21.907 1.00 0.00 H new ATOM 0 HH11 ARG A 72 36.006 16.444 18.621 1.00 0.00 H new ATOM 0 HH12 ARG A 72 35.940 14.800 17.978 1.00 0.00 H new ATOM 0 HH21 ARG A 72 36.337 13.183 21.037 1.00 0.00 H new ATOM 0 HH22 ARG A 72 36.135 13.035 19.288 1.00 0.00 H new ATOM 1174 N LEU A 73 39.959 19.723 23.591 1.00 0.00 N ATOM 1175 CA LEU A 73 41.389 19.937 23.583 1.00 0.00 C ATOM 1176 C LEU A 73 42.115 18.645 23.225 1.00 0.00 C ATOM 1177 O LEU A 73 43.343 18.639 23.086 1.00 0.00 O ATOM 1178 CB LEU A 73 41.847 20.459 24.940 1.00 0.00 C ATOM 1179 CG LEU A 73 41.339 21.833 25.390 1.00 0.00 C ATOM 1180 CD1 LEU A 73 40.803 21.695 26.817 1.00 0.00 C ATOM 1181 CD2 LEU A 73 42.144 23.106 25.102 1.00 0.00 C ATOM 0 H LEU A 73 39.684 18.949 24.195 1.00 0.00 H new ATOM 0 HA LEU A 73 41.632 20.684 22.827 1.00 0.00 H new ATOM 0 HB2 LEU A 73 41.552 19.730 25.695 1.00 0.00 H new ATOM 0 HB3 LEU A 73 42.937 20.491 24.935 1.00 0.00 H new ATOM 0 HG LEU A 73 40.546 22.078 24.684 1.00 0.00 H new ATOM 0 HD11 LEU A 73 40.434 22.661 27.162 1.00 0.00 H new ATOM 0 HD12 LEU A 73 39.989 20.970 26.832 1.00 0.00 H new ATOM 0 HD13 LEU A 73 41.603 21.356 27.475 1.00 0.00 H new ATOM 0 HD21 LEU A 73 41.613 23.970 25.502 1.00 0.00 H new ATOM 0 HD22 LEU A 73 43.124 23.032 25.574 1.00 0.00 H new ATOM 0 HD23 LEU A 73 42.268 23.222 24.025 1.00 0.00 H new ATOM 1193 N ARG A 74 41.409 17.514 23.262 1.00 0.00 N ATOM 1194 CA ARG A 74 41.783 16.238 22.680 1.00 0.00 C ATOM 1195 C ARG A 74 40.714 15.711 21.728 1.00 0.00 C ATOM 1196 O ARG A 74 39.553 15.649 22.125 1.00 0.00 O ATOM 1197 CB ARG A 74 42.154 15.343 23.866 1.00 0.00 C ATOM 1198 CG ARG A 74 40.964 14.801 24.654 1.00 0.00 C ATOM 1199 CD ARG A 74 41.371 13.971 25.870 1.00 0.00 C ATOM 1200 NE ARG A 74 40.206 13.503 26.610 1.00 0.00 N ATOM 1201 CZ ARG A 74 39.536 12.343 26.519 1.00 0.00 C ATOM 1202 NH1 ARG A 74 39.940 11.495 25.563 1.00 0.00 N ATOM 1203 NH2 ARG A 74 38.568 11.909 27.340 1.00 0.00 N ATOM 0 H ARG A 74 40.504 17.469 23.731 1.00 0.00 H new ATOM 0 HA ARG A 74 42.645 16.299 22.016 1.00 0.00 H new ATOM 0 HB2 ARG A 74 42.742 14.502 23.499 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.794 15.908 24.544 1.00 0.00 H new ATOM 0 HG2 ARG A 74 40.345 15.636 24.983 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.349 14.189 23.994 1.00 0.00 H new ATOM 0 HD2 ARG A 74 41.965 13.117 25.546 1.00 0.00 H new ATOM 0 HD3 ARG A 74 42.004 14.570 26.525 1.00 0.00 H new ATOM 0 HE ARG A 74 39.844 14.157 27.304 1.00 0.00 H new ATOM 0 HH11 ARG A 74 40.718 11.747 24.953 1.00 0.00 H new ATOM 0 HH12 ARG A 74 39.469 10.598 25.445 1.00 0.00 H new ATOM 0 HH21 ARG A 74 38.274 12.483 28.130 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.126 11.005 27.174 1.00 0.00 H new ATOM 1217 N GLY A 75 41.088 15.539 20.459 1.00 0.00 N ATOM 1218 CA GLY A 75 40.168 15.271 19.371 1.00 0.00 C ATOM 1219 C GLY A 75 40.174 16.559 18.540 1.00 0.00 C ATOM 1220 O GLY A 75 40.312 17.698 18.969 1.00 0.00 O ATOM 0 H GLY A 75 42.062 15.585 20.161 1.00 0.00 H new ATOM 0 HA2 GLY A 75 40.491 14.415 18.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 39.169 15.043 19.743 1.00 0.00 H new ATOM 1224 N GLY A 76 39.804 16.468 17.264 1.00 0.00 N ATOM 1225 CA GLY A 76 39.798 17.530 16.280 1.00 0.00 C ATOM 1226 C GLY A 76 40.755 17.116 15.180 1.00 0.00 C ATOM 1227 O GLY A 76 40.838 15.920 14.834 1.00 0.00 O ATOM 1228 OXT GLY A 76 41.484 17.957 14.611 1.00 0.00 O ATOM 0 H GLY A 76 39.479 15.585 16.871 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.795 17.682 15.882 1.00 0.00 H new ATOM 0 HA3 GLY A 76 40.110 18.474 16.728 1.00 0.00 H new TER 1232 GLY A 76