USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 -56:sc= 1.8 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.53 (180deg=2.42) USER MOD Single : A 2 GLN : amide:sc= -0.694 K(o=-0.69,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 129:sc= 1.11 (180deg=-0.804!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 95:sc= 0.743 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 0.559 (180deg=0.336) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0.947 (180deg=0.688) USER MOD Single : A 40 GLN : amide:sc= 0.902 K(o=0.9,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -0.8 K(o=-0.8,f=-6.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.603 K(o=-0.6,f=-0.045) USER MOD Single : A 55 THR OG1 : rot -64:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.344 USER MOD Single : A 60 ASN : amide:sc=-0.00796 X(o=-0.008,f=-0.008) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0217) USER MOD Single : A 65 SER OG : rot 108:sc= 0.71 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.202 30.537 15.675 1.00 0.00 N ATOM 2 CA MET A 1 13.904 30.242 17.084 1.00 0.00 C ATOM 3 C MET A 1 15.008 30.838 17.957 1.00 0.00 C ATOM 4 O MET A 1 16.167 30.744 17.555 1.00 0.00 O ATOM 5 CB MET A 1 13.845 28.763 17.451 1.00 0.00 C ATOM 6 CG MET A 1 13.762 28.356 18.921 1.00 0.00 C ATOM 7 SD MET A 1 13.615 26.575 19.189 1.00 0.00 S ATOM 8 CE MET A 1 15.325 26.282 19.702 1.00 0.00 C ATOM 0 H1 MET A 1 13.340 30.417 15.105 1.00 0.00 H new ATOM 0 H2 MET A 1 14.540 31.517 15.589 1.00 0.00 H new ATOM 0 H3 MET A 1 14.937 29.886 15.332 1.00 0.00 H new ATOM 0 HA MET A 1 12.913 30.666 17.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.980 28.335 16.944 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.730 28.286 17.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.651 28.718 19.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.905 28.853 19.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.463 25.223 19.922 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.001 26.577 18.899 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.543 26.869 20.594 1.00 0.00 H new ATOM 20 N GLN A 2 14.664 31.576 19.001 1.00 0.00 N ATOM 21 CA GLN A 2 15.596 32.350 19.796 1.00 0.00 C ATOM 22 C GLN A 2 16.477 31.523 20.736 1.00 0.00 C ATOM 23 O GLN A 2 15.918 30.814 21.576 1.00 0.00 O ATOM 24 CB GLN A 2 14.835 33.306 20.722 1.00 0.00 C ATOM 25 CG GLN A 2 15.693 34.183 21.638 1.00 0.00 C ATOM 26 CD GLN A 2 14.961 35.165 22.538 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.452 35.804 23.460 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.642 35.277 22.361 1.00 0.00 N ATOM 0 H GLN A 2 13.700 31.653 19.325 1.00 0.00 H new ATOM 0 HA GLN A 2 16.220 32.849 19.055 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.214 33.957 20.107 1.00 0.00 H new ATOM 0 HB3 GLN A 2 14.161 32.717 21.344 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.293 33.528 22.269 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.386 34.747 21.014 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.183 34.765 21.607 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.093 35.874 22.980 1.00 0.00 H new ATOM 37 N ILE A 3 17.810 31.523 20.689 1.00 0.00 N ATOM 38 CA ILE A 3 18.642 30.902 21.689 1.00 0.00 C ATOM 39 C ILE A 3 19.841 31.756 22.111 1.00 0.00 C ATOM 40 O ILE A 3 20.000 32.893 21.677 1.00 0.00 O ATOM 41 CB ILE A 3 19.096 29.537 21.162 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.169 29.574 20.080 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.994 28.534 20.792 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.127 28.380 19.936 1.00 0.00 C ATOM 0 H ILE A 3 18.339 31.965 19.937 1.00 0.00 H new ATOM 0 HA ILE A 3 18.046 30.786 22.594 1.00 0.00 H new ATOM 0 HB ILE A 3 19.559 29.146 22.068 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.666 29.709 19.123 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.776 30.464 20.249 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.448 27.610 20.434 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.385 28.322 21.671 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.365 28.957 20.009 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.825 28.570 19.121 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.682 28.244 20.865 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.554 27.478 19.720 1.00 0.00 H new ATOM 56 N PHE A 4 20.621 31.332 23.098 1.00 0.00 N ATOM 57 CA PHE A 4 21.909 31.866 23.509 1.00 0.00 C ATOM 58 C PHE A 4 23.032 30.828 23.508 1.00 0.00 C ATOM 59 O PHE A 4 22.890 29.651 23.806 1.00 0.00 O ATOM 60 CB PHE A 4 21.818 32.436 24.929 1.00 0.00 C ATOM 61 CG PHE A 4 20.780 33.517 25.055 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.131 34.845 24.821 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.468 33.152 25.404 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.130 35.818 24.900 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.451 34.115 25.385 1.00 0.00 C ATOM 66 CZ PHE A 4 18.815 35.454 25.216 1.00 0.00 C ATOM 0 H PHE A 4 20.344 30.540 23.678 1.00 0.00 H new ATOM 0 HA PHE A 4 22.150 32.635 22.775 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.584 31.631 25.625 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.790 32.836 25.219 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.150 35.116 24.585 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.245 32.133 25.686 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.372 36.854 24.717 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.415 33.831 25.498 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.067 36.224 25.332 1.00 0.00 H new ATOM 76 N VAL A 5 24.271 31.296 23.365 1.00 0.00 N ATOM 77 CA VAL A 5 25.514 30.620 23.685 1.00 0.00 C ATOM 78 C VAL A 5 26.259 31.545 24.655 1.00 0.00 C ATOM 79 O VAL A 5 26.390 32.752 24.487 1.00 0.00 O ATOM 80 CB VAL A 5 26.313 30.232 22.434 1.00 0.00 C ATOM 81 CG1 VAL A 5 25.754 29.019 21.691 1.00 0.00 C ATOM 82 CG2 VAL A 5 26.731 31.375 21.519 1.00 0.00 C ATOM 0 H VAL A 5 24.438 32.231 22.993 1.00 0.00 H new ATOM 0 HA VAL A 5 25.337 29.656 24.162 1.00 0.00 H new ATOM 0 HB VAL A 5 27.264 29.906 22.856 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.374 28.809 20.819 1.00 0.00 H new ATOM 0 HG12 VAL A 5 25.755 28.154 22.354 1.00 0.00 H new ATOM 0 HG13 VAL A 5 24.734 29.228 21.369 1.00 0.00 H new ATOM 0 HG21 VAL A 5 27.288 30.977 20.671 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.844 31.895 21.158 1.00 0.00 H new ATOM 0 HG23 VAL A 5 27.361 32.072 22.072 1.00 0.00 H new ATOM 92 N LYS A 6 26.739 30.996 25.769 1.00 0.00 N ATOM 93 CA LYS A 6 27.528 31.635 26.804 1.00 0.00 C ATOM 94 C LYS A 6 28.906 30.994 26.685 1.00 0.00 C ATOM 95 O LYS A 6 29.055 29.786 26.527 1.00 0.00 O ATOM 96 CB LYS A 6 27.009 31.179 28.169 1.00 0.00 C ATOM 97 CG LYS A 6 27.571 32.015 29.317 1.00 0.00 C ATOM 98 CD LYS A 6 27.087 31.529 30.686 1.00 0.00 C ATOM 99 CE LYS A 6 27.361 32.470 31.858 1.00 0.00 C ATOM 100 NZ LYS A 6 26.467 32.152 32.993 1.00 0.00 N ATOM 0 H LYS A 6 26.569 30.013 25.982 1.00 0.00 H new ATOM 0 HA LYS A 6 27.509 32.721 26.710 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.921 31.239 28.179 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.272 30.132 28.323 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.660 31.982 29.287 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.280 33.056 29.181 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.013 31.352 30.629 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.557 30.569 30.897 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.402 32.380 32.170 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.210 33.503 31.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.664 32.800 33.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.476 32.261 32.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.631 31.172 33.300 1.00 0.00 H new ATOM 114 N THR A 7 29.886 31.902 26.663 1.00 0.00 N ATOM 115 CA THR A 7 31.275 31.720 26.301 1.00 0.00 C ATOM 116 C THR A 7 32.029 31.574 27.630 1.00 0.00 C ATOM 117 O THR A 7 31.440 31.771 28.688 1.00 0.00 O ATOM 118 CB THR A 7 31.835 32.960 25.595 1.00 0.00 C ATOM 119 OG1 THR A 7 31.807 34.233 26.202 1.00 0.00 O ATOM 120 CG2 THR A 7 31.099 33.207 24.288 1.00 0.00 C ATOM 0 H THR A 7 29.698 32.870 26.924 1.00 0.00 H new ATOM 0 HA THR A 7 31.380 30.865 25.633 1.00 0.00 H new ATOM 0 HB THR A 7 32.880 32.652 25.558 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.884 34.461 26.441 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.510 34.091 23.801 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.219 32.343 23.634 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.040 33.364 24.491 1.00 0.00 H new ATOM 128 N LEU A 8 33.284 31.169 27.493 1.00 0.00 N ATOM 129 CA LEU A 8 34.337 30.991 28.475 1.00 0.00 C ATOM 130 C LEU A 8 35.218 32.234 28.615 1.00 0.00 C ATOM 131 O LEU A 8 36.108 32.268 29.463 1.00 0.00 O ATOM 132 CB LEU A 8 35.343 29.940 28.007 1.00 0.00 C ATOM 133 CG LEU A 8 34.854 28.491 28.153 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.059 27.591 27.883 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.339 28.180 29.562 1.00 0.00 C ATOM 0 H LEU A 8 33.629 30.926 26.564 1.00 0.00 H new ATOM 0 HA LEU A 8 33.812 30.736 29.396 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.586 30.126 26.961 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.266 30.059 28.574 1.00 0.00 H new ATOM 0 HG LEU A 8 34.029 28.329 27.459 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.761 26.547 27.975 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.432 27.774 26.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.845 27.809 28.606 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.007 27.143 29.607 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.140 28.336 30.285 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.504 28.839 29.798 1.00 0.00 H new ATOM 147 N THR A 9 34.940 33.296 27.858 1.00 0.00 N ATOM 148 CA THR A 9 35.438 34.650 27.802 1.00 0.00 C ATOM 149 C THR A 9 34.440 35.601 28.466 1.00 0.00 C ATOM 150 O THR A 9 34.794 36.717 28.844 1.00 0.00 O ATOM 151 CB THR A 9 35.903 35.005 26.382 1.00 0.00 C ATOM 152 OG1 THR A 9 34.884 34.527 25.538 1.00 0.00 O ATOM 153 CG2 THR A 9 37.152 34.259 25.923 1.00 0.00 C ATOM 0 H THR A 9 34.223 33.187 27.141 1.00 0.00 H new ATOM 0 HA THR A 9 36.347 34.761 28.393 1.00 0.00 H new ATOM 0 HB THR A 9 36.113 36.074 26.358 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.113 34.722 24.605 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.410 34.570 24.911 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.980 34.487 26.595 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.960 33.186 25.935 1.00 0.00 H new ATOM 161 N GLY A 10 33.159 35.258 28.557 1.00 0.00 N ATOM 162 CA GLY A 10 32.303 35.652 29.663 1.00 0.00 C ATOM 163 C GLY A 10 31.116 36.477 29.158 1.00 0.00 C ATOM 164 O GLY A 10 30.267 36.778 29.984 1.00 0.00 O ATOM 0 H GLY A 10 32.683 34.692 27.855 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.941 34.765 30.184 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.877 36.234 30.385 1.00 0.00 H new ATOM 168 N LYS A 11 31.088 36.834 27.872 1.00 0.00 N ATOM 169 CA LYS A 11 29.891 37.176 27.139 1.00 0.00 C ATOM 170 C LYS A 11 28.816 36.090 27.001 1.00 0.00 C ATOM 171 O LYS A 11 29.194 34.939 26.810 1.00 0.00 O ATOM 172 CB LYS A 11 30.206 37.802 25.793 1.00 0.00 C ATOM 173 CG LYS A 11 31.099 37.027 24.817 1.00 0.00 C ATOM 174 CD LYS A 11 31.603 38.024 23.770 1.00 0.00 C ATOM 175 CE LYS A 11 32.699 37.532 22.825 1.00 0.00 C ATOM 176 NZ LYS A 11 32.859 38.209 21.519 1.00 0.00 N ATOM 0 H LYS A 11 31.933 36.891 27.303 1.00 0.00 H new ATOM 0 HA LYS A 11 29.425 37.915 27.791 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.260 38.001 25.290 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.677 38.767 25.978 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.935 36.567 25.344 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.540 36.221 24.342 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.753 38.344 23.168 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.974 38.906 24.291 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.649 37.602 23.354 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.520 36.475 22.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.855 38.480 21.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.572 37.563 20.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.263 39.061 21.494 1.00 0.00 H new ATOM 190 N THR A 12 27.566 36.528 26.914 1.00 0.00 N ATOM 191 CA THR A 12 26.486 35.691 26.431 1.00 0.00 C ATOM 192 C THR A 12 26.114 36.360 25.111 1.00 0.00 C ATOM 193 O THR A 12 25.829 37.560 25.101 1.00 0.00 O ATOM 194 CB THR A 12 25.300 35.691 27.398 1.00 0.00 C ATOM 195 OG1 THR A 12 25.753 35.186 28.635 1.00 0.00 O ATOM 196 CG2 THR A 12 24.186 34.731 26.955 1.00 0.00 C ATOM 0 H THR A 12 27.278 37.471 27.176 1.00 0.00 H new ATOM 0 HA THR A 12 26.768 34.643 26.328 1.00 0.00 H new ATOM 0 HB THR A 12 24.916 36.710 27.443 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.012 35.177 29.276 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.367 34.767 27.674 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.820 35.028 25.972 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.579 33.716 26.904 1.00 0.00 H new ATOM 204 N ILE A 13 26.259 35.658 23.990 1.00 0.00 N ATOM 205 CA ILE A 13 25.969 36.107 22.643 1.00 0.00 C ATOM 206 C ILE A 13 24.614 35.444 22.378 1.00 0.00 C ATOM 207 O ILE A 13 24.493 34.233 22.602 1.00 0.00 O ATOM 208 CB ILE A 13 26.990 35.487 21.694 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.481 35.664 21.966 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.676 36.038 20.303 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.418 34.654 21.292 1.00 0.00 C ATOM 0 H ILE A 13 26.605 34.699 24.006 1.00 0.00 H new ATOM 0 HA ILE A 13 25.983 37.190 22.516 1.00 0.00 H new ATOM 0 HB ILE A 13 26.865 34.412 21.827 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.771 36.665 21.647 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.641 35.614 23.043 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.380 35.625 19.581 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.661 35.758 20.021 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.763 37.124 20.314 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.450 34.881 21.559 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.169 33.647 21.627 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.301 34.715 20.210 1.00 0.00 H new ATOM 223 N THR A 14 23.619 36.150 21.854 1.00 0.00 N ATOM 224 CA THR A 14 22.309 35.657 21.504 1.00 0.00 C ATOM 225 C THR A 14 22.259 35.261 20.026 1.00 0.00 C ATOM 226 O THR A 14 22.886 35.965 19.239 1.00 0.00 O ATOM 227 CB THR A 14 21.300 36.775 21.813 1.00 0.00 C ATOM 228 OG1 THR A 14 19.984 36.267 21.749 1.00 0.00 O ATOM 229 CG2 THR A 14 21.457 38.067 21.007 1.00 0.00 C ATOM 0 H THR A 14 23.721 37.145 21.653 1.00 0.00 H new ATOM 0 HA THR A 14 22.067 34.763 22.080 1.00 0.00 H new ATOM 0 HB THR A 14 21.528 37.095 22.830 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.690 36.006 22.647 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.691 38.781 21.311 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.443 38.493 21.191 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.348 37.849 19.945 1.00 0.00 H new ATOM 237 N LEU A 15 21.487 34.243 19.664 1.00 0.00 N ATOM 238 CA LEU A 15 21.415 33.728 18.313 1.00 0.00 C ATOM 239 C LEU A 15 20.007 33.632 17.727 1.00 0.00 C ATOM 240 O LEU A 15 19.006 33.948 18.367 1.00 0.00 O ATOM 241 CB LEU A 15 22.222 32.430 18.243 1.00 0.00 C ATOM 242 CG LEU A 15 23.414 32.358 17.287 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.371 33.553 17.342 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.351 31.156 17.433 1.00 0.00 C ATOM 0 H LEU A 15 20.883 33.746 20.319 1.00 0.00 H new ATOM 0 HA LEU A 15 21.870 34.462 17.647 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.589 32.214 19.246 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.535 31.627 17.976 1.00 0.00 H new ATOM 0 HG LEU A 15 22.850 32.306 16.355 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.180 33.404 16.627 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.829 34.465 17.092 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.785 33.641 18.346 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.152 31.227 16.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.779 31.148 18.435 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.790 30.236 17.271 1.00 0.00 H new ATOM 256 N GLU A 16 19.952 33.104 16.510 1.00 0.00 N ATOM 257 CA GLU A 16 18.727 32.723 15.832 1.00 0.00 C ATOM 258 C GLU A 16 19.045 31.554 14.907 1.00 0.00 C ATOM 259 O GLU A 16 19.795 31.790 13.961 1.00 0.00 O ATOM 260 CB GLU A 16 18.159 33.969 15.148 1.00 0.00 C ATOM 261 CG GLU A 16 16.759 33.648 14.619 1.00 0.00 C ATOM 262 CD GLU A 16 15.671 33.984 15.631 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.505 35.201 15.888 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.830 33.099 15.873 1.00 0.00 O ATOM 0 H GLU A 16 20.788 32.925 15.953 1.00 0.00 H new ATOM 0 HA GLU A 16 17.946 32.368 16.504 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.115 34.799 15.853 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.809 34.280 14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.583 34.206 13.700 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.702 32.590 14.365 1.00 0.00 H new ATOM 271 N VAL A 17 18.451 30.380 15.118 1.00 0.00 N ATOM 272 CA VAL A 17 18.574 29.083 14.490 1.00 0.00 C ATOM 273 C VAL A 17 17.153 28.591 14.180 1.00 0.00 C ATOM 274 O VAL A 17 16.272 28.936 14.968 1.00 0.00 O ATOM 275 CB VAL A 17 19.364 28.100 15.351 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.861 28.381 15.504 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.783 27.847 16.741 1.00 0.00 C ATOM 0 H VAL A 17 17.757 30.322 15.863 1.00 0.00 H new ATOM 0 HA VAL A 17 19.147 29.161 13.566 1.00 0.00 H new ATOM 0 HB VAL A 17 19.255 27.201 14.745 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.312 27.616 16.136 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.336 28.367 14.523 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.002 29.360 15.962 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.414 27.136 17.275 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.744 28.785 17.295 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.777 27.439 16.646 1.00 0.00 H new ATOM 287 N GLU A 18 16.934 27.821 13.117 1.00 0.00 N ATOM 288 CA GLU A 18 15.691 27.170 12.779 1.00 0.00 C ATOM 289 C GLU A 18 15.609 25.877 13.597 1.00 0.00 C ATOM 290 O GLU A 18 16.680 25.302 13.798 1.00 0.00 O ATOM 291 CB GLU A 18 15.555 26.870 11.292 1.00 0.00 C ATOM 292 CG GLU A 18 14.145 26.532 10.794 1.00 0.00 C ATOM 293 CD GLU A 18 13.253 27.762 10.690 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.573 28.789 11.324 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.179 27.671 10.057 1.00 0.00 O ATOM 0 H GLU A 18 17.668 27.630 12.435 1.00 0.00 H new ATOM 0 HA GLU A 18 14.869 27.845 13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.917 27.734 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.213 26.035 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.213 26.053 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.687 25.811 11.471 1.00 0.00 H new ATOM 302 N PRO A 19 14.461 25.455 14.121 1.00 0.00 N ATOM 303 CA PRO A 19 14.203 24.203 14.805 1.00 0.00 C ATOM 304 C PRO A 19 14.792 22.977 14.109 1.00 0.00 C ATOM 305 O PRO A 19 15.291 22.091 14.792 1.00 0.00 O ATOM 306 CB PRO A 19 12.680 24.092 14.958 1.00 0.00 C ATOM 307 CG PRO A 19 12.360 25.572 15.182 1.00 0.00 C ATOM 308 CD PRO A 19 13.335 26.351 14.300 1.00 0.00 C ATOM 0 HA PRO A 19 14.705 24.216 15.773 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.195 23.685 14.071 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.385 23.464 15.799 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.327 25.793 14.912 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.480 25.843 16.231 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.882 26.614 13.344 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.641 27.283 14.775 1.00 0.00 H new ATOM 316 N SER A 20 14.839 22.911 12.781 1.00 0.00 N ATOM 317 CA SER A 20 15.412 21.874 11.947 1.00 0.00 C ATOM 318 C SER A 20 16.935 21.924 11.856 1.00 0.00 C ATOM 319 O SER A 20 17.466 20.883 11.485 1.00 0.00 O ATOM 320 CB SER A 20 14.751 21.888 10.570 1.00 0.00 C ATOM 321 OG SER A 20 14.750 23.198 10.062 1.00 0.00 O ATOM 0 H SER A 20 14.436 23.657 12.214 1.00 0.00 H new ATOM 0 HA SER A 20 15.199 20.921 12.432 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.287 21.224 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.730 21.514 10.642 1.00 0.00 H new ATOM 0 HG SER A 20 14.327 23.206 9.178 1.00 0.00 H new ATOM 327 N ASP A 21 17.617 23.024 12.158 1.00 0.00 N ATOM 328 CA ASP A 21 19.056 23.085 11.935 1.00 0.00 C ATOM 329 C ASP A 21 19.745 22.092 12.861 1.00 0.00 C ATOM 330 O ASP A 21 19.679 22.211 14.080 1.00 0.00 O ATOM 331 CB ASP A 21 19.488 24.519 12.237 1.00 0.00 C ATOM 332 CG ASP A 21 19.062 25.639 11.289 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.939 25.301 10.097 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.089 26.809 11.717 1.00 0.00 O ATOM 0 H ASP A 21 17.206 23.871 12.551 1.00 0.00 H new ATOM 0 HA ASP A 21 19.325 22.824 10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.118 24.771 13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.577 24.530 12.290 1.00 0.00 H new ATOM 339 N THR A 22 20.566 21.224 12.267 1.00 0.00 N ATOM 340 CA THR A 22 21.460 20.341 12.976 1.00 0.00 C ATOM 341 C THR A 22 22.626 21.091 13.635 1.00 0.00 C ATOM 342 O THR A 22 23.107 22.100 13.128 1.00 0.00 O ATOM 343 CB THR A 22 21.965 19.231 12.047 1.00 0.00 C ATOM 344 OG1 THR A 22 22.699 19.693 10.937 1.00 0.00 O ATOM 345 CG2 THR A 22 20.909 18.238 11.563 1.00 0.00 C ATOM 0 H THR A 22 20.620 21.122 11.254 1.00 0.00 H new ATOM 0 HA THR A 22 20.891 19.885 13.786 1.00 0.00 H new ATOM 0 HB THR A 22 22.635 18.691 12.716 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.987 18.929 10.395 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.376 17.498 10.913 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.461 17.737 12.421 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.136 18.770 11.009 1.00 0.00 H new ATOM 353 N ILE A 23 23.130 20.547 14.735 1.00 0.00 N ATOM 354 CA ILE A 23 24.204 21.055 15.570 1.00 0.00 C ATOM 355 C ILE A 23 25.512 21.338 14.830 1.00 0.00 C ATOM 356 O ILE A 23 26.266 22.181 15.308 1.00 0.00 O ATOM 357 CB ILE A 23 24.255 20.167 16.813 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.999 20.057 17.670 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.555 20.266 17.608 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.709 21.275 18.533 1.00 0.00 C ATOM 0 H ILE A 23 22.765 19.665 15.094 1.00 0.00 H new ATOM 0 HA ILE A 23 24.001 22.072 15.905 1.00 0.00 H new ATOM 0 HB ILE A 23 24.265 19.181 16.349 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.145 19.880 17.017 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.092 19.185 18.317 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.504 19.603 18.472 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.392 19.973 16.974 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.698 21.292 17.946 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.798 21.106 19.107 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.542 21.444 19.216 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.579 22.150 17.896 1.00 0.00 H new ATOM 372 N GLU A 24 25.810 20.664 13.721 1.00 0.00 N ATOM 373 CA GLU A 24 26.867 21.087 12.832 1.00 0.00 C ATOM 374 C GLU A 24 26.708 22.453 12.182 1.00 0.00 C ATOM 375 O GLU A 24 27.703 23.145 11.985 1.00 0.00 O ATOM 376 CB GLU A 24 27.228 19.937 11.875 1.00 0.00 C ATOM 377 CG GLU A 24 26.020 19.524 11.048 1.00 0.00 C ATOM 378 CD GLU A 24 26.455 18.608 9.911 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.864 19.061 8.819 1.00 0.00 O ATOM 380 OE2 GLU A 24 26.280 17.381 10.111 1.00 0.00 O ATOM 0 H GLU A 24 25.325 19.818 13.423 1.00 0.00 H new ATOM 0 HA GLU A 24 27.735 21.292 13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.038 20.248 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.593 19.083 12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.294 19.013 11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.526 20.408 10.645 1.00 0.00 H new ATOM 387 N ASN A 25 25.484 22.883 11.861 1.00 0.00 N ATOM 388 CA ASN A 25 25.213 24.024 11.020 1.00 0.00 C ATOM 389 C ASN A 25 25.072 25.198 11.999 1.00 0.00 C ATOM 390 O ASN A 25 25.626 26.256 11.697 1.00 0.00 O ATOM 391 CB ASN A 25 23.894 24.034 10.246 1.00 0.00 C ATOM 392 CG ASN A 25 23.442 25.212 9.386 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.730 26.138 9.793 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.958 25.242 8.167 1.00 0.00 N ATOM 0 H ASN A 25 24.637 22.424 12.196 1.00 0.00 H new ATOM 0 HA ASN A 25 26.010 24.044 10.277 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.913 23.163 9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.105 23.865 10.978 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.770 26.034 7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.544 24.473 7.842 1.00 0.00 H new ATOM 401 N VAL A 26 24.560 25.012 13.210 1.00 0.00 N ATOM 402 CA VAL A 26 24.690 25.800 14.423 1.00 0.00 C ATOM 403 C VAL A 26 26.098 26.349 14.637 1.00 0.00 C ATOM 404 O VAL A 26 26.245 27.476 15.108 1.00 0.00 O ATOM 405 CB VAL A 26 24.046 25.110 15.626 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.226 25.969 16.875 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.597 24.662 15.396 1.00 0.00 C ATOM 0 H VAL A 26 23.968 24.199 13.382 1.00 0.00 H new ATOM 0 HA VAL A 26 24.101 26.708 14.292 1.00 0.00 H new ATOM 0 HB VAL A 26 24.574 24.169 15.780 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.765 25.472 17.728 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.289 26.111 17.069 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.753 26.939 16.721 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.217 24.182 16.298 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.981 25.530 15.159 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.562 23.955 14.567 1.00 0.00 H new ATOM 417 N LYS A 27 27.136 25.557 14.394 1.00 0.00 N ATOM 418 CA LYS A 27 28.497 26.010 14.607 1.00 0.00 C ATOM 419 C LYS A 27 29.074 27.000 13.594 1.00 0.00 C ATOM 420 O LYS A 27 30.120 27.616 13.792 1.00 0.00 O ATOM 421 CB LYS A 27 29.448 24.817 14.724 1.00 0.00 C ATOM 422 CG LYS A 27 29.201 23.860 15.886 1.00 0.00 C ATOM 423 CD LYS A 27 30.016 22.569 15.913 1.00 0.00 C ATOM 424 CE LYS A 27 29.506 21.668 17.039 1.00 0.00 C ATOM 425 NZ LYS A 27 30.419 20.572 17.415 1.00 0.00 N ATOM 0 H LYS A 27 27.057 24.600 14.050 1.00 0.00 H new ATOM 0 HA LYS A 27 28.421 26.574 15.536 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.396 24.247 13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.466 25.199 14.807 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.392 24.399 16.814 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.144 23.592 15.884 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.934 22.054 14.956 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.071 22.796 16.064 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.316 22.282 17.919 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.550 21.239 16.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.886 19.833 17.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.849 20.169 16.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.167 20.941 18.037 1.00 0.00 H new ATOM 439 N ALA A 28 28.420 27.100 12.450 1.00 0.00 N ATOM 440 CA ALA A 28 28.823 27.861 11.279 1.00 0.00 C ATOM 441 C ALA A 28 28.506 29.326 11.612 1.00 0.00 C ATOM 442 O ALA A 28 29.329 30.196 11.336 1.00 0.00 O ATOM 443 CB ALA A 28 28.206 27.223 10.043 1.00 0.00 C ATOM 0 H ALA A 28 27.533 26.619 12.304 1.00 0.00 H new ATOM 0 HA ALA A 28 29.884 27.848 11.028 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.501 27.786 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.554 26.194 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.120 27.232 10.133 1.00 0.00 H new ATOM 449 N LYS A 29 27.429 29.690 12.296 1.00 0.00 N ATOM 450 CA LYS A 29 26.939 31.013 12.628 1.00 0.00 C ATOM 451 C LYS A 29 27.796 31.595 13.766 1.00 0.00 C ATOM 452 O LYS A 29 27.813 32.823 13.846 1.00 0.00 O ATOM 453 CB LYS A 29 25.472 30.937 13.046 1.00 0.00 C ATOM 454 CG LYS A 29 24.485 30.778 11.901 1.00 0.00 C ATOM 455 CD LYS A 29 23.052 30.920 12.424 1.00 0.00 C ATOM 456 CE LYS A 29 21.984 31.364 11.430 1.00 0.00 C ATOM 457 NZ LYS A 29 21.655 30.319 10.448 1.00 0.00 N ATOM 0 H LYS A 29 26.807 28.975 12.674 1.00 0.00 H new ATOM 0 HA LYS A 29 27.012 31.663 11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.348 30.099 13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.220 31.841 13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.678 31.530 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.615 29.803 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.748 29.959 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.063 31.634 13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.081 31.644 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.329 32.255 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.925 30.672 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.508 30.068 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.299 29.477 10.943 1.00 0.00 H new ATOM 471 N ILE A 30 28.395 30.737 14.582 1.00 0.00 N ATOM 472 CA ILE A 30 29.330 31.192 15.583 1.00 0.00 C ATOM 473 C ILE A 30 30.690 31.516 14.970 1.00 0.00 C ATOM 474 O ILE A 30 31.341 32.440 15.446 1.00 0.00 O ATOM 475 CB ILE A 30 29.449 30.142 16.702 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.112 29.817 17.364 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.518 30.335 17.772 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.130 28.803 18.511 1.00 0.00 C ATOM 0 H ILE A 30 28.246 29.728 14.565 1.00 0.00 H new ATOM 0 HA ILE A 30 28.952 32.118 16.017 1.00 0.00 H new ATOM 0 HB ILE A 30 29.808 29.293 16.120 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.686 30.747 17.741 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.435 29.446 16.595 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.471 29.512 18.485 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.502 30.354 17.304 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.346 31.277 18.293 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.117 28.665 18.890 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.515 27.850 18.148 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.770 29.172 19.312 1.00 0.00 H new ATOM 490 N GLN A 31 31.028 30.955 13.814 1.00 0.00 N ATOM 491 CA GLN A 31 32.319 31.100 13.164 1.00 0.00 C ATOM 492 C GLN A 31 32.515 32.527 12.646 1.00 0.00 C ATOM 493 O GLN A 31 33.564 33.097 12.915 1.00 0.00 O ATOM 494 CB GLN A 31 32.538 30.129 12.000 1.00 0.00 C ATOM 495 CG GLN A 31 33.903 30.028 11.313 1.00 0.00 C ATOM 496 CD GLN A 31 33.990 28.818 10.397 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.052 28.122 9.990 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.253 28.476 10.158 1.00 0.00 N ATOM 0 H GLN A 31 30.384 30.365 13.287 1.00 0.00 H new ATOM 0 HA GLN A 31 33.052 30.865 13.936 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.287 29.132 12.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.809 30.382 11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.086 30.934 10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.686 29.968 12.069 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.014 29.062 10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.461 27.628 9.631 1.00 0.00 H new ATOM 507 N ASP A 32 31.485 33.108 12.034 1.00 0.00 N ATOM 508 CA ASP A 32 31.380 34.422 11.440 1.00 0.00 C ATOM 509 C ASP A 32 31.684 35.607 12.363 1.00 0.00 C ATOM 510 O ASP A 32 32.247 36.637 11.984 1.00 0.00 O ATOM 511 CB ASP A 32 30.191 34.612 10.489 1.00 0.00 C ATOM 512 CG ASP A 32 30.115 36.013 9.892 1.00 0.00 C ATOM 513 OD1 ASP A 32 30.762 36.322 8.872 1.00 0.00 O ATOM 514 OD2 ASP A 32 29.307 36.835 10.380 1.00 0.00 O ATOM 0 H ASP A 32 30.605 32.601 11.936 1.00 0.00 H new ATOM 0 HA ASP A 32 32.239 34.442 10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.261 33.884 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.267 34.403 11.028 1.00 0.00 H new ATOM 519 N LYS A 33 31.239 35.340 13.586 1.00 0.00 N ATOM 520 CA LYS A 33 31.203 36.242 14.721 1.00 0.00 C ATOM 521 C LYS A 33 32.284 36.015 15.771 1.00 0.00 C ATOM 522 O LYS A 33 32.709 36.991 16.392 1.00 0.00 O ATOM 523 CB LYS A 33 29.857 36.213 15.433 1.00 0.00 C ATOM 524 CG LYS A 33 28.774 37.068 14.765 1.00 0.00 C ATOM 525 CD LYS A 33 28.161 36.390 13.536 1.00 0.00 C ATOM 526 CE LYS A 33 27.237 37.308 12.750 1.00 0.00 C ATOM 527 NZ LYS A 33 28.040 38.284 11.987 1.00 0.00 N ATOM 0 H LYS A 33 30.868 34.420 13.822 1.00 0.00 H new ATOM 0 HA LYS A 33 31.387 37.213 14.261 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.509 35.182 15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.994 36.556 16.459 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.987 37.280 15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 33 29.203 38.026 14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.961 36.043 12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.604 35.509 13.854 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.617 36.722 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.562 37.829 13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 27.419 38.821 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 28.508 38.939 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 28.759 37.781 11.429 1.00 0.00 H new ATOM 541 N GLU A 34 32.817 34.814 15.962 1.00 0.00 N ATOM 542 CA GLU A 34 33.881 34.554 16.907 1.00 0.00 C ATOM 543 C GLU A 34 35.205 34.066 16.316 1.00 0.00 C ATOM 544 O GLU A 34 36.259 33.981 16.936 1.00 0.00 O ATOM 545 CB GLU A 34 33.298 33.692 18.037 1.00 0.00 C ATOM 546 CG GLU A 34 32.155 34.284 18.847 1.00 0.00 C ATOM 547 CD GLU A 34 32.599 35.396 19.791 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.675 35.116 20.352 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.940 36.449 19.932 1.00 0.00 O ATOM 0 H GLU A 34 32.513 33.984 15.453 1.00 0.00 H new ATOM 0 HA GLU A 34 34.220 35.504 17.319 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.953 32.754 17.602 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.107 33.446 18.725 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.400 34.675 18.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.681 33.492 19.427 1.00 0.00 H new ATOM 556 N GLY A 35 35.198 33.655 15.055 1.00 0.00 N ATOM 557 CA GLY A 35 36.464 33.480 14.359 1.00 0.00 C ATOM 558 C GLY A 35 36.866 32.008 14.338 1.00 0.00 C ATOM 559 O GLY A 35 37.985 31.746 13.895 1.00 0.00 O ATOM 0 H GLY A 35 34.362 33.443 14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 35 36.379 33.854 13.339 1.00 0.00 H new ATOM 0 HA3 GLY A 35 37.240 34.067 14.850 1.00 0.00 H new ATOM 563 N ILE A 36 36.067 31.134 14.939 1.00 0.00 N ATOM 564 CA ILE A 36 36.377 29.818 15.479 1.00 0.00 C ATOM 565 C ILE A 36 35.694 28.710 14.683 1.00 0.00 C ATOM 566 O ILE A 36 34.511 28.847 14.364 1.00 0.00 O ATOM 567 CB ILE A 36 36.066 29.784 16.973 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.644 30.217 17.330 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.200 30.480 17.725 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.113 30.135 18.753 1.00 0.00 C ATOM 0 H ILE A 36 35.080 31.355 15.073 1.00 0.00 H new ATOM 0 HA ILE A 36 37.445 29.626 15.373 1.00 0.00 H new ATOM 0 HB ILE A 36 36.045 28.750 17.317 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.543 31.256 17.015 1.00 0.00 H new ATOM 0 HG13 ILE A 36 33.970 29.628 16.708 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.991 30.463 18.795 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.138 29.961 17.530 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.280 31.513 17.387 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.084 30.493 18.778 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.146 29.101 19.095 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.728 30.753 19.407 1.00 0.00 H new ATOM 582 N PRO A 37 36.405 27.669 14.261 1.00 0.00 N ATOM 583 CA PRO A 37 35.825 26.677 13.383 1.00 0.00 C ATOM 584 C PRO A 37 34.988 25.677 14.192 1.00 0.00 C ATOM 585 O PRO A 37 35.273 25.525 15.379 1.00 0.00 O ATOM 586 CB PRO A 37 37.032 25.999 12.743 1.00 0.00 C ATOM 587 CG PRO A 37 38.105 26.074 13.821 1.00 0.00 C ATOM 588 CD PRO A 37 37.817 27.434 14.463 1.00 0.00 C ATOM 0 HA PRO A 37 35.152 27.104 12.639 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.812 24.967 12.468 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.343 26.512 11.833 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.020 25.258 14.539 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.110 26.026 13.401 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.065 27.427 15.524 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.415 28.220 14.001 1.00 0.00 H new ATOM 596 N PRO A 38 34.073 24.877 13.649 1.00 0.00 N ATOM 597 CA PRO A 38 33.388 23.788 14.316 1.00 0.00 C ATOM 598 C PRO A 38 34.245 22.737 15.028 1.00 0.00 C ATOM 599 O PRO A 38 33.692 22.204 15.982 1.00 0.00 O ATOM 600 CB PRO A 38 32.519 23.121 13.250 1.00 0.00 C ATOM 601 CG PRO A 38 32.502 24.065 12.041 1.00 0.00 C ATOM 602 CD PRO A 38 33.616 25.083 12.286 1.00 0.00 C ATOM 0 HA PRO A 38 32.834 24.231 15.144 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.924 22.147 12.975 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.509 22.953 13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.672 23.516 11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.535 24.560 11.946 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.433 24.942 11.578 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.248 26.100 12.150 1.00 0.00 H new ATOM 610 N ASP A 39 35.518 22.596 14.657 1.00 0.00 N ATOM 611 CA ASP A 39 36.520 21.891 15.425 1.00 0.00 C ATOM 612 C ASP A 39 36.784 22.358 16.863 1.00 0.00 C ATOM 613 O ASP A 39 37.099 21.537 17.724 1.00 0.00 O ATOM 614 CB ASP A 39 37.737 21.971 14.508 1.00 0.00 C ATOM 615 CG ASP A 39 38.964 21.299 15.119 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.013 20.063 15.336 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.960 21.984 15.440 1.00 0.00 O ATOM 0 H ASP A 39 35.881 22.984 13.787 1.00 0.00 H new ATOM 0 HA ASP A 39 36.189 20.879 15.659 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.503 21.498 13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.964 23.016 14.298 1.00 0.00 H new ATOM 622 N GLN A 40 36.554 23.619 17.211 1.00 0.00 N ATOM 623 CA GLN A 40 36.722 24.322 18.469 1.00 0.00 C ATOM 624 C GLN A 40 35.426 24.435 19.270 1.00 0.00 C ATOM 625 O GLN A 40 35.419 24.575 20.483 1.00 0.00 O ATOM 626 CB GLN A 40 37.235 25.736 18.197 1.00 0.00 C ATOM 627 CG GLN A 40 38.202 26.414 19.165 1.00 0.00 C ATOM 628 CD GLN A 40 39.668 26.329 18.770 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.956 25.368 18.049 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.544 27.250 19.157 1.00 0.00 N ATOM 0 H GLN A 40 36.191 24.262 16.507 1.00 0.00 H new ATOM 0 HA GLN A 40 37.432 23.741 19.057 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.718 25.720 17.220 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.362 26.383 18.110 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.926 27.464 19.256 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.080 25.966 20.151 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.244 28.021 19.754 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.517 27.186 18.857 1.00 0.00 H new ATOM 639 N GLN A 41 34.295 24.459 18.572 1.00 0.00 N ATOM 640 CA GLN A 41 32.957 24.614 19.090 1.00 0.00 C ATOM 641 C GLN A 41 32.560 23.290 19.743 1.00 0.00 C ATOM 642 O GLN A 41 32.043 22.398 19.071 1.00 0.00 O ATOM 643 CB GLN A 41 31.864 25.116 18.144 1.00 0.00 C ATOM 644 CG GLN A 41 31.885 26.604 17.775 1.00 0.00 C ATOM 645 CD GLN A 41 32.979 27.250 16.927 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.154 27.316 17.277 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.644 27.760 15.747 1.00 0.00 N ATOM 0 H GLN A 41 34.300 24.363 17.557 1.00 0.00 H new ATOM 0 HA GLN A 41 33.017 25.442 19.796 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.924 24.538 17.222 1.00 0.00 H new ATOM 0 HB3 GLN A 41 30.898 24.894 18.596 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.943 26.806 17.265 1.00 0.00 H new ATOM 0 HG3 GLN A 41 31.863 27.153 18.716 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.675 27.719 15.430 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.356 28.192 15.158 1.00 0.00 H new ATOM 656 N ARG A 42 32.761 23.137 21.052 1.00 0.00 N ATOM 657 CA ARG A 42 32.229 22.071 21.879 1.00 0.00 C ATOM 658 C ARG A 42 31.163 22.513 22.882 1.00 0.00 C ATOM 659 O ARG A 42 31.379 23.396 23.706 1.00 0.00 O ATOM 660 CB ARG A 42 33.383 21.410 22.635 1.00 0.00 C ATOM 661 CG ARG A 42 34.377 20.709 21.711 1.00 0.00 C ATOM 662 CD ARG A 42 35.440 19.917 22.479 1.00 0.00 C ATOM 663 NE ARG A 42 35.045 18.556 22.864 1.00 0.00 N ATOM 664 CZ ARG A 42 34.765 17.464 22.135 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.057 17.541 20.830 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.006 16.519 22.706 1.00 0.00 N ATOM 0 H ARG A 42 33.331 23.793 21.586 1.00 0.00 H new ATOM 0 HA ARG A 42 31.733 21.378 21.200 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.908 22.166 23.218 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.979 20.685 23.342 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.836 20.035 21.047 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.867 21.451 21.081 1.00 0.00 H new ATOM 0 HD2 ARG A 42 36.340 19.858 21.867 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.703 20.471 23.380 1.00 0.00 H new ATOM 0 HE ARG A 42 34.969 18.414 23.871 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.467 18.394 20.448 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.870 16.747 20.218 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.665 16.646 23.659 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.769 15.673 22.188 1.00 0.00 H new ATOM 680 N LEU A 43 29.945 22.218 22.436 1.00 0.00 N ATOM 681 CA LEU A 43 28.774 22.811 23.037 1.00 0.00 C ATOM 682 C LEU A 43 28.130 21.817 24.009 1.00 0.00 C ATOM 683 O LEU A 43 28.104 20.627 23.710 1.00 0.00 O ATOM 684 CB LEU A 43 27.745 23.076 21.933 1.00 0.00 C ATOM 685 CG LEU A 43 27.930 24.372 21.146 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.993 24.367 19.930 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.981 25.646 21.978 1.00 0.00 C ATOM 0 H LEU A 43 29.753 21.576 21.667 1.00 0.00 H new ATOM 0 HA LEU A 43 29.063 23.725 23.555 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.770 22.241 21.232 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.752 23.085 22.383 1.00 0.00 H new ATOM 0 HG LEU A 43 28.947 24.394 20.753 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.123 25.291 19.367 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.230 23.516 19.291 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.959 24.290 20.267 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.115 26.505 21.320 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.049 25.756 22.533 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.816 25.591 22.677 1.00 0.00 H new ATOM 699 N ILE A 44 27.660 22.303 25.156 1.00 0.00 N ATOM 700 CA ILE A 44 26.932 21.467 26.091 1.00 0.00 C ATOM 701 C ILE A 44 25.612 22.068 26.602 1.00 0.00 C ATOM 702 O ILE A 44 25.497 23.270 26.813 1.00 0.00 O ATOM 703 CB ILE A 44 27.864 20.943 27.191 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.298 22.022 28.191 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.966 20.057 26.623 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.829 21.578 29.548 1.00 0.00 C ATOM 0 H ILE A 44 27.773 23.272 25.455 1.00 0.00 H new ATOM 0 HA ILE A 44 26.584 20.600 25.530 1.00 0.00 H new ATOM 0 HB ILE A 44 27.286 20.271 27.826 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.069 22.626 27.714 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.444 22.676 28.366 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.605 19.706 27.434 1.00 0.00 H new ATOM 0 HG22 ILE A 44 28.520 19.201 26.116 1.00 0.00 H new ATOM 0 HG23 ILE A 44 29.563 20.629 25.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.093 22.454 30.140 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.062 21.006 30.069 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.713 20.956 29.407 1.00 0.00 H new ATOM 718 N PHE A 45 24.751 21.203 27.120 1.00 0.00 N ATOM 719 CA PHE A 45 23.544 21.462 27.884 1.00 0.00 C ATOM 720 C PHE A 45 23.437 20.243 28.811 1.00 0.00 C ATOM 721 O PHE A 45 23.564 19.122 28.306 1.00 0.00 O ATOM 722 CB PHE A 45 22.248 21.630 27.094 1.00 0.00 C ATOM 723 CG PHE A 45 21.090 22.266 27.840 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.027 23.653 28.008 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.990 21.499 28.238 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.913 24.252 28.594 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.851 22.064 28.810 1.00 0.00 C ATOM 728 CZ PHE A 45 18.836 23.453 29.004 1.00 0.00 C ATOM 0 H PHE A 45 24.898 20.201 27.002 1.00 0.00 H new ATOM 0 HA PHE A 45 23.642 22.429 28.377 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.460 22.233 26.211 1.00 0.00 H new ATOM 0 HB3 PHE A 45 21.931 20.648 26.741 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.852 24.268 27.680 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.024 20.429 28.097 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.880 25.323 28.731 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.008 21.452 29.094 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.982 23.914 29.477 1.00 0.00 H new ATOM 738 N ALA A 46 23.369 20.494 30.116 1.00 0.00 N ATOM 739 CA ALA A 46 23.253 19.558 31.210 1.00 0.00 C ATOM 740 C ALA A 46 24.293 18.440 31.237 1.00 0.00 C ATOM 741 O ALA A 46 23.941 17.386 31.759 1.00 0.00 O ATOM 742 CB ALA A 46 21.831 19.002 31.162 1.00 0.00 C ATOM 0 H ALA A 46 23.397 21.455 30.457 1.00 0.00 H new ATOM 0 HA ALA A 46 23.457 20.096 32.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.693 18.287 31.973 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.117 19.818 31.273 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.667 18.504 30.206 1.00 0.00 H new ATOM 748 N GLY A 47 25.462 18.731 30.687 1.00 0.00 N ATOM 749 CA GLY A 47 26.526 17.746 30.554 1.00 0.00 C ATOM 750 C GLY A 47 26.389 16.823 29.338 1.00 0.00 C ATOM 751 O GLY A 47 27.227 15.919 29.251 1.00 0.00 O ATOM 0 H GLY A 47 25.700 19.653 30.321 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.481 18.268 30.493 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.554 17.135 31.457 1.00 0.00 H new ATOM 755 N LYS A 48 25.415 16.954 28.440 1.00 0.00 N ATOM 756 CA LYS A 48 25.315 16.056 27.305 1.00 0.00 C ATOM 757 C LYS A 48 26.091 16.722 26.157 1.00 0.00 C ATOM 758 O LYS A 48 26.162 17.940 26.032 1.00 0.00 O ATOM 759 CB LYS A 48 23.827 15.991 26.996 1.00 0.00 C ATOM 760 CG LYS A 48 23.068 15.449 28.216 1.00 0.00 C ATOM 761 CD LYS A 48 21.562 15.584 27.936 1.00 0.00 C ATOM 762 CE LYS A 48 20.705 14.756 28.883 1.00 0.00 C ATOM 763 NZ LYS A 48 19.260 15.013 28.730 1.00 0.00 N ATOM 0 H LYS A 48 24.690 17.671 28.480 1.00 0.00 H new ATOM 0 HA LYS A 48 25.716 15.056 27.471 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.456 16.982 26.736 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.653 15.349 26.133 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.330 14.406 28.396 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.340 16.006 29.113 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.275 16.632 28.018 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.360 15.277 26.910 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.900 13.698 28.709 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.999 14.970 29.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.729 14.421 29.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.063 16.016 28.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.968 14.784 27.759 1.00 0.00 H new ATOM 777 N GLN A 49 26.697 15.893 25.312 1.00 0.00 N ATOM 778 CA GLN A 49 27.537 16.358 24.224 1.00 0.00 C ATOM 779 C GLN A 49 26.606 16.258 23.014 1.00 0.00 C ATOM 780 O GLN A 49 26.397 15.163 22.508 1.00 0.00 O ATOM 781 CB GLN A 49 28.890 15.658 24.086 1.00 0.00 C ATOM 782 CG GLN A 49 29.803 16.269 23.030 1.00 0.00 C ATOM 783 CD GLN A 49 30.508 17.589 23.295 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.368 18.012 22.525 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.387 18.174 24.482 1.00 0.00 N ATOM 0 H GLN A 49 26.616 14.878 25.367 1.00 0.00 H new ATOM 0 HA GLN A 49 27.901 17.373 24.382 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.399 15.683 25.049 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.721 14.609 23.842 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.573 15.532 22.804 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.209 16.397 22.125 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.683 17.846 25.143 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.998 18.951 24.732 1.00 0.00 H new ATOM 794 N LEU A 50 25.906 17.342 22.663 1.00 0.00 N ATOM 795 CA LEU A 50 25.009 17.568 21.552 1.00 0.00 C ATOM 796 C LEU A 50 25.732 17.226 20.250 1.00 0.00 C ATOM 797 O LEU A 50 26.786 17.800 19.982 1.00 0.00 O ATOM 798 CB LEU A 50 24.444 18.986 21.648 1.00 0.00 C ATOM 799 CG LEU A 50 23.962 19.451 23.026 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.433 20.883 22.993 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.029 18.576 23.861 1.00 0.00 C ATOM 0 H LEU A 50 25.973 18.184 23.235 1.00 0.00 H new ATOM 0 HA LEU A 50 24.139 16.911 21.577 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.211 19.680 21.306 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.609 19.066 20.952 1.00 0.00 H new ATOM 0 HG LEU A 50 24.901 19.361 23.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.102 21.172 23.991 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.225 21.556 22.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.594 20.945 22.300 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.803 19.079 24.801 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.104 18.402 23.311 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.513 17.622 24.067 1.00 0.00 H new ATOM 813 N GLU A 51 25.236 16.195 19.563 1.00 0.00 N ATOM 814 CA GLU A 51 25.907 15.503 18.475 1.00 0.00 C ATOM 815 C GLU A 51 25.633 16.409 17.288 1.00 0.00 C ATOM 816 O GLU A 51 24.515 16.873 17.026 1.00 0.00 O ATOM 817 CB GLU A 51 25.143 14.208 18.220 1.00 0.00 C ATOM 818 CG GLU A 51 25.690 13.210 17.192 1.00 0.00 C ATOM 819 CD GLU A 51 24.821 11.956 17.204 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.578 11.348 18.264 1.00 0.00 O ATOM 821 OE2 GLU A 51 24.351 11.596 16.099 1.00 0.00 O ATOM 0 H GLU A 51 24.314 15.807 19.763 1.00 0.00 H new ATOM 0 HA GLU A 51 26.961 15.297 18.660 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.056 13.685 19.172 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.133 14.478 17.911 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.692 13.657 16.198 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.723 12.954 17.429 1.00 0.00 H new ATOM 828 N ASP A 52 26.714 16.625 16.542 1.00 0.00 N ATOM 829 CA ASP A 52 26.784 17.209 15.221 1.00 0.00 C ATOM 830 C ASP A 52 25.923 16.334 14.315 1.00 0.00 C ATOM 831 O ASP A 52 26.141 15.135 14.134 1.00 0.00 O ATOM 832 CB ASP A 52 28.199 17.380 14.658 1.00 0.00 C ATOM 833 CG ASP A 52 29.297 16.502 15.259 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.768 16.899 16.338 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.805 15.535 14.658 1.00 0.00 O ATOM 0 H ASP A 52 27.640 16.370 16.884 1.00 0.00 H new ATOM 0 HA ASP A 52 26.416 18.234 15.277 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.162 17.189 13.585 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.491 18.422 14.786 1.00 0.00 H new ATOM 840 N GLY A 53 24.890 16.917 13.713 1.00 0.00 N ATOM 841 CA GLY A 53 23.999 16.246 12.789 1.00 0.00 C ATOM 842 C GLY A 53 22.684 15.827 13.440 1.00 0.00 C ATOM 843 O GLY A 53 21.817 15.265 12.771 1.00 0.00 O ATOM 0 H GLY A 53 24.648 17.897 13.863 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.789 16.907 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.497 15.365 12.385 1.00 0.00 H new ATOM 847 N ARG A 54 22.568 16.006 14.751 1.00 0.00 N ATOM 848 CA ARG A 54 21.284 15.989 15.417 1.00 0.00 C ATOM 849 C ARG A 54 20.771 17.425 15.546 1.00 0.00 C ATOM 850 O ARG A 54 21.594 18.318 15.319 1.00 0.00 O ATOM 851 CB ARG A 54 21.291 15.227 16.744 1.00 0.00 C ATOM 852 CG ARG A 54 21.830 13.810 16.567 1.00 0.00 C ATOM 853 CD ARG A 54 20.875 12.796 15.938 1.00 0.00 C ATOM 854 NE ARG A 54 21.615 11.534 15.894 1.00 0.00 N ATOM 855 CZ ARG A 54 21.179 10.308 15.549 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.881 10.065 15.336 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.016 9.273 15.471 1.00 0.00 N ATOM 0 H ARG A 54 23.360 16.166 15.373 1.00 0.00 H new ATOM 0 HA ARG A 54 20.586 15.422 14.801 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.902 15.763 17.470 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.279 15.186 17.147 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.729 13.860 15.953 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.133 13.434 17.545 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.964 12.696 16.529 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.574 13.109 14.938 1.00 0.00 H new ATOM 0 HE ARG A 54 22.597 11.591 16.162 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.199 10.817 15.434 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.574 9.128 15.075 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.007 9.402 15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.665 8.352 15.208 1.00 0.00 H new ATOM 871 N THR A 55 19.574 17.613 16.071 1.00 0.00 N ATOM 872 CA THR A 55 19.058 18.953 16.298 1.00 0.00 C ATOM 873 C THR A 55 18.859 19.247 17.789 1.00 0.00 C ATOM 874 O THR A 55 19.073 18.383 18.635 1.00 0.00 O ATOM 875 CB THR A 55 17.661 18.883 15.669 1.00 0.00 C ATOM 876 OG1 THR A 55 16.705 17.949 16.105 1.00 0.00 O ATOM 877 CG2 THR A 55 17.687 18.844 14.142 1.00 0.00 C ATOM 0 H THR A 55 18.943 16.861 16.347 1.00 0.00 H new ATOM 0 HA THR A 55 19.730 19.713 15.900 1.00 0.00 H new ATOM 0 HB THR A 55 17.298 19.826 16.078 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.027 17.042 15.923 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.667 18.795 13.762 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.172 19.743 13.763 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.241 17.966 13.810 1.00 0.00 H new ATOM 885 N LEU A 56 18.447 20.469 18.128 1.00 0.00 N ATOM 886 CA LEU A 56 17.986 20.755 19.466 1.00 0.00 C ATOM 887 C LEU A 56 16.697 20.028 19.832 1.00 0.00 C ATOM 888 O LEU A 56 16.614 19.593 20.979 1.00 0.00 O ATOM 889 CB LEU A 56 17.731 22.265 19.505 1.00 0.00 C ATOM 890 CG LEU A 56 18.983 23.127 19.371 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.699 24.606 19.121 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.921 22.962 20.570 1.00 0.00 C ATOM 0 H LEU A 56 18.427 21.265 17.491 1.00 0.00 H new ATOM 0 HA LEU A 56 18.736 20.419 20.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.041 22.524 18.702 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.235 22.512 20.444 1.00 0.00 H new ATOM 0 HG LEU A 56 19.481 22.752 18.477 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.641 25.148 19.038 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.134 24.717 18.196 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.119 25.011 19.951 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.799 23.593 20.434 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.401 23.255 21.482 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.231 21.920 20.649 1.00 0.00 H new ATOM 904 N SER A 57 15.835 19.720 18.864 1.00 0.00 N ATOM 905 CA SER A 57 14.618 18.944 18.974 1.00 0.00 C ATOM 906 C SER A 57 14.972 17.507 19.367 1.00 0.00 C ATOM 907 O SER A 57 14.335 16.822 20.159 1.00 0.00 O ATOM 908 CB SER A 57 13.875 19.070 17.641 1.00 0.00 C ATOM 909 OG SER A 57 12.651 18.380 17.716 1.00 0.00 O ATOM 0 H SER A 57 15.990 20.037 17.907 1.00 0.00 H new ATOM 0 HA SER A 57 13.952 19.307 19.757 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.698 20.120 17.409 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.484 18.664 16.834 1.00 0.00 H new ATOM 0 HG SER A 57 12.176 18.463 16.863 1.00 0.00 H new ATOM 915 N ASP A 58 16.085 16.963 18.868 1.00 0.00 N ATOM 916 CA ASP A 58 16.606 15.703 19.359 1.00 0.00 C ATOM 917 C ASP A 58 16.945 15.549 20.837 1.00 0.00 C ATOM 918 O ASP A 58 16.977 14.418 21.308 1.00 0.00 O ATOM 919 CB ASP A 58 17.667 15.014 18.507 1.00 0.00 C ATOM 920 CG ASP A 58 17.159 14.886 17.082 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.320 14.027 16.708 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.714 15.635 16.234 1.00 0.00 O ATOM 0 H ASP A 58 16.638 17.384 18.122 1.00 0.00 H new ATOM 0 HA ASP A 58 15.664 15.169 19.237 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.594 15.588 18.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.894 14.029 18.914 1.00 0.00 H new ATOM 927 N TYR A 59 17.244 16.663 21.495 1.00 0.00 N ATOM 928 CA TYR A 59 17.550 16.721 22.910 1.00 0.00 C ATOM 929 C TYR A 59 16.432 17.471 23.652 1.00 0.00 C ATOM 930 O TYR A 59 16.651 17.753 24.828 1.00 0.00 O ATOM 931 CB TYR A 59 18.928 17.284 23.218 1.00 0.00 C ATOM 932 CG TYR A 59 20.081 16.574 22.534 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.603 15.384 23.079 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.583 17.079 21.336 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.546 14.677 22.330 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.492 16.271 20.634 1.00 0.00 C ATOM 937 CZ TYR A 59 22.027 15.058 21.070 1.00 0.00 C ATOM 938 OH TYR A 59 22.965 14.407 20.333 1.00 0.00 O ATOM 0 H TYR A 59 17.280 17.575 21.040 1.00 0.00 H new ATOM 0 HA TYR A 59 17.590 15.695 23.275 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.947 18.335 22.930 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.086 17.246 24.296 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.283 15.029 24.048 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.286 18.049 20.964 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.936 13.764 22.756 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.808 16.622 19.663 1.00 0.00 H new ATOM 0 HH TYR A 59 22.523 13.869 19.643 1.00 0.00 H new ATOM 948 N ASN A 60 15.372 17.864 22.953 1.00 0.00 N ATOM 949 CA ASN A 60 14.254 18.692 23.366 1.00 0.00 C ATOM 950 C ASN A 60 14.593 20.086 23.900 1.00 0.00 C ATOM 951 O ASN A 60 13.875 20.647 24.728 1.00 0.00 O ATOM 952 CB ASN A 60 13.072 17.995 24.025 1.00 0.00 C ATOM 953 CG ASN A 60 13.474 17.205 25.256 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.567 17.769 26.343 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.517 15.881 25.104 1.00 0.00 N ATOM 0 H ASN A 60 15.269 17.577 21.980 1.00 0.00 H new ATOM 0 HA ASN A 60 13.831 18.924 22.389 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.325 18.739 24.303 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.602 17.325 23.305 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.633 15.278 25.918 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.434 15.472 24.173 1.00 0.00 H new ATOM 962 N ILE A 61 15.675 20.643 23.358 1.00 0.00 N ATOM 963 CA ILE A 61 16.114 21.932 23.853 1.00 0.00 C ATOM 964 C ILE A 61 15.235 22.955 23.149 1.00 0.00 C ATOM 965 O ILE A 61 15.332 23.115 21.941 1.00 0.00 O ATOM 966 CB ILE A 61 17.618 22.104 23.665 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.410 21.018 24.383 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.058 23.499 24.102 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.886 20.838 23.984 1.00 0.00 C ATOM 0 H ILE A 61 16.238 20.239 22.609 1.00 0.00 H new ATOM 0 HA ILE A 61 15.992 22.053 24.929 1.00 0.00 H new ATOM 0 HB ILE A 61 17.833 21.997 22.602 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.373 21.225 25.453 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.900 20.068 24.224 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.134 23.602 23.960 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.540 24.248 23.504 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.815 23.644 25.155 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.326 20.033 24.573 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.949 20.589 22.925 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.429 21.764 24.172 1.00 0.00 H new ATOM 981 N GLN A 62 14.439 23.738 23.889 1.00 0.00 N ATOM 982 CA GLN A 62 13.429 24.674 23.422 1.00 0.00 C ATOM 983 C GLN A 62 13.918 26.125 23.413 1.00 0.00 C ATOM 984 O GLN A 62 15.037 26.400 23.842 1.00 0.00 O ATOM 985 CB GLN A 62 12.140 24.469 24.220 1.00 0.00 C ATOM 986 CG GLN A 62 11.584 23.046 24.226 1.00 0.00 C ATOM 987 CD GLN A 62 11.059 22.529 22.894 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.987 23.084 21.799 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.519 21.323 22.990 1.00 0.00 N ATOM 0 H GLN A 62 14.495 23.726 24.907 1.00 0.00 H new ATOM 0 HA GLN A 62 13.215 24.461 22.375 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.320 24.773 25.251 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.377 25.136 23.820 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.368 22.372 24.571 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.776 22.996 24.956 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.551 20.819 23.876 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.071 20.899 22.178 1.00 0.00 H new ATOM 998 N LYS A 63 13.128 27.052 22.888 1.00 0.00 N ATOM 999 CA LYS A 63 13.312 28.493 22.860 1.00 0.00 C ATOM 1000 C LYS A 63 13.904 29.051 24.164 1.00 0.00 C ATOM 1001 O LYS A 63 13.418 28.768 25.260 1.00 0.00 O ATOM 1002 CB LYS A 63 12.021 29.219 22.507 1.00 0.00 C ATOM 1003 CG LYS A 63 10.833 29.105 23.459 1.00 0.00 C ATOM 1004 CD LYS A 63 9.437 29.303 22.887 1.00 0.00 C ATOM 1005 CE LYS A 63 8.565 30.123 23.831 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.908 31.544 23.876 1.00 0.00 N ATOM 0 H LYS A 63 12.258 26.785 22.427 1.00 0.00 H new ATOM 0 HA LYS A 63 14.042 28.681 22.073 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.256 30.278 22.397 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.697 28.861 21.530 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.868 28.118 23.920 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.973 29.834 24.257 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.505 29.805 21.922 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.973 28.333 22.710 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.523 30.021 23.527 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.646 29.708 24.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.667 31.930 24.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.927 31.661 23.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.374 32.053 23.143 1.00 0.00 H new ATOM 1020 N GLU A 64 14.890 29.924 24.042 1.00 0.00 N ATOM 1021 CA GLU A 64 15.563 30.665 25.090 1.00 0.00 C ATOM 1022 C GLU A 64 16.273 29.687 26.041 1.00 0.00 C ATOM 1023 O GLU A 64 16.102 29.903 27.235 1.00 0.00 O ATOM 1024 CB GLU A 64 14.456 31.486 25.751 1.00 0.00 C ATOM 1025 CG GLU A 64 15.046 32.678 26.496 1.00 0.00 C ATOM 1026 CD GLU A 64 14.023 33.284 27.435 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.858 32.814 27.464 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.375 34.246 28.152 1.00 0.00 O ATOM 0 H GLU A 64 15.272 30.151 23.124 1.00 0.00 H new ATOM 0 HA GLU A 64 16.352 31.327 24.734 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.753 31.835 24.995 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.894 30.859 26.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.923 32.362 27.061 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.381 33.430 25.781 1.00 0.00 H new ATOM 1035 N SER A 65 17.018 28.669 25.616 1.00 0.00 N ATOM 1036 CA SER A 65 17.839 27.796 26.427 1.00 0.00 C ATOM 1037 C SER A 65 19.271 28.273 26.162 1.00 0.00 C ATOM 1038 O SER A 65 19.587 28.541 25.006 1.00 0.00 O ATOM 1039 CB SER A 65 17.590 26.395 25.859 1.00 0.00 C ATOM 1040 OG SER A 65 16.308 26.121 26.383 1.00 0.00 O ATOM 0 H SER A 65 17.062 28.422 24.627 1.00 0.00 H new ATOM 0 HA SER A 65 17.640 27.796 27.499 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.602 26.383 24.769 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.336 25.675 26.194 1.00 0.00 H new ATOM 0 HG SER A 65 15.645 26.159 25.662 1.00 0.00 H new ATOM 1046 N THR A 66 20.025 28.604 27.210 1.00 0.00 N ATOM 1047 CA THR A 66 21.389 29.043 27.067 1.00 0.00 C ATOM 1048 C THR A 66 22.296 27.811 27.018 1.00 0.00 C ATOM 1049 O THR A 66 22.053 26.962 27.871 1.00 0.00 O ATOM 1050 CB THR A 66 21.664 30.059 28.186 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.793 31.166 28.085 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.095 30.602 28.132 1.00 0.00 C ATOM 0 H THR A 66 19.697 28.571 28.175 1.00 0.00 H new ATOM 0 HA THR A 66 21.595 29.568 26.134 1.00 0.00 H new ATOM 0 HB THR A 66 21.509 29.524 29.123 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.984 31.800 28.808 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.244 31.317 28.942 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.801 29.779 28.240 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.260 31.098 27.175 1.00 0.00 H new ATOM 1060 N LEU A 67 23.253 27.746 26.096 1.00 0.00 N ATOM 1061 CA LEU A 67 24.145 26.611 25.975 1.00 0.00 C ATOM 1062 C LEU A 67 25.461 27.197 26.503 1.00 0.00 C ATOM 1063 O LEU A 67 25.682 28.399 26.437 1.00 0.00 O ATOM 1064 CB LEU A 67 24.376 25.984 24.595 1.00 0.00 C ATOM 1065 CG LEU A 67 23.161 25.832 23.686 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.778 25.420 22.351 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.048 24.952 24.256 1.00 0.00 C ATOM 0 H LEU A 67 23.427 28.484 25.413 1.00 0.00 H new ATOM 0 HA LEU A 67 23.706 25.765 26.503 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.117 26.587 24.070 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.814 24.997 24.742 1.00 0.00 H new ATOM 0 HG LEU A 67 22.581 26.747 23.570 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.988 25.281 21.613 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.461 26.198 22.010 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.326 24.486 22.476 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.225 24.900 23.544 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.434 23.949 24.438 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.691 25.379 25.193 1.00 0.00 H new ATOM 1079 N HIS A 68 26.356 26.364 27.025 1.00 0.00 N ATOM 1080 CA HIS A 68 27.683 26.668 27.514 1.00 0.00 C ATOM 1081 C HIS A 68 28.648 26.206 26.409 1.00 0.00 C ATOM 1082 O HIS A 68 28.509 25.097 25.916 1.00 0.00 O ATOM 1083 CB HIS A 68 27.856 25.821 28.778 1.00 0.00 C ATOM 1084 CG HIS A 68 29.176 25.764 29.497 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.254 26.154 30.825 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.411 25.309 29.117 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.545 26.033 31.133 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.299 25.493 30.165 1.00 0.00 N ATOM 0 H HIS A 68 26.145 25.371 27.122 1.00 0.00 H new ATOM 0 HA HIS A 68 27.858 27.719 27.742 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.115 26.167 29.498 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.591 24.797 28.515 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.653 24.877 28.157 1.00 0.00 H new ATOM 0 HE1 HIS A 68 30.950 26.344 32.084 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.294 25.270 30.193 1.00 0.00 H new ATOM 1096 N LEU A 69 29.638 27.035 26.073 1.00 0.00 N ATOM 1097 CA LEU A 69 30.705 26.785 25.127 1.00 0.00 C ATOM 1098 C LEU A 69 31.915 26.340 25.953 1.00 0.00 C ATOM 1099 O LEU A 69 32.302 27.068 26.862 1.00 0.00 O ATOM 1100 CB LEU A 69 31.228 28.049 24.437 1.00 0.00 C ATOM 1101 CG LEU A 69 30.673 28.318 23.035 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.732 29.813 22.728 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.500 27.539 22.018 1.00 0.00 C ATOM 0 H LEU A 69 29.712 27.963 26.490 1.00 0.00 H new ATOM 0 HA LEU A 69 30.314 26.083 24.390 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.999 28.907 25.069 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.314 27.982 24.371 1.00 0.00 H new ATOM 0 HG LEU A 69 29.633 27.996 22.983 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.335 29.995 21.729 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.136 30.359 23.460 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.766 30.154 22.775 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.113 27.724 21.016 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.540 27.862 22.070 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.440 26.473 22.240 1.00 0.00 H new ATOM 1115 N VAL A 70 32.487 25.211 25.522 1.00 0.00 N ATOM 1116 CA VAL A 70 33.862 24.933 25.909 1.00 0.00 C ATOM 1117 C VAL A 70 34.641 25.343 24.662 1.00 0.00 C ATOM 1118 O VAL A 70 34.392 24.838 23.562 1.00 0.00 O ATOM 1119 CB VAL A 70 33.974 23.418 26.102 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.405 23.133 26.549 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.032 22.865 27.172 1.00 0.00 C ATOM 0 H VAL A 70 32.040 24.508 24.933 1.00 0.00 H new ATOM 0 HA VAL A 70 34.204 25.434 26.814 1.00 0.00 H new ATOM 0 HB VAL A 70 33.704 22.939 25.161 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.532 22.061 26.700 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.101 23.477 25.784 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.605 23.657 27.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.167 21.786 27.253 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.256 23.332 28.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.000 23.082 26.896 1.00 0.00 H new ATOM 1131 N LEU A 71 35.509 26.340 24.803 1.00 0.00 N ATOM 1132 CA LEU A 71 36.421 26.868 23.812 1.00 0.00 C ATOM 1133 C LEU A 71 37.868 26.707 24.289 1.00 0.00 C ATOM 1134 O LEU A 71 38.118 26.624 25.497 1.00 0.00 O ATOM 1135 CB LEU A 71 36.281 28.371 23.571 1.00 0.00 C ATOM 1136 CG LEU A 71 36.530 28.816 22.135 1.00 0.00 C ATOM 1137 CD1 LEU A 71 35.681 28.095 21.083 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.543 30.334 22.023 1.00 0.00 C ATOM 0 H LEU A 71 35.594 26.836 25.690 1.00 0.00 H new ATOM 0 HA LEU A 71 36.180 26.313 22.905 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.277 28.679 23.863 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.978 28.896 24.225 1.00 0.00 H new ATOM 0 HG LEU A 71 37.535 28.483 21.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.927 28.477 20.092 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.887 27.025 21.120 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.624 28.269 21.287 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.723 30.621 20.987 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.581 30.731 22.348 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.334 30.739 22.654 1.00 0.00 H new ATOM 1150 N ARG A 72 38.772 26.948 23.348 1.00 0.00 N ATOM 1151 CA ARG A 72 40.160 27.358 23.480 1.00 0.00 C ATOM 1152 C ARG A 72 40.454 28.647 22.716 1.00 0.00 C ATOM 1153 O ARG A 72 40.377 28.627 21.492 1.00 0.00 O ATOM 1154 CB ARG A 72 41.057 26.193 23.070 1.00 0.00 C ATOM 1155 CG ARG A 72 42.564 26.419 22.959 1.00 0.00 C ATOM 1156 CD ARG A 72 43.305 25.224 22.368 1.00 0.00 C ATOM 1157 NE ARG A 72 44.762 25.335 22.396 1.00 0.00 N ATOM 1158 CZ ARG A 72 45.579 25.227 21.342 1.00 0.00 C ATOM 1159 NH1 ARG A 72 45.082 25.205 20.095 1.00 0.00 N ATOM 1160 NH2 ARG A 72 46.906 25.150 21.559 1.00 0.00 N ATOM 0 H ARG A 72 38.519 26.849 22.365 1.00 0.00 H new ATOM 0 HA ARG A 72 40.372 27.602 24.521 1.00 0.00 H new ATOM 0 HB2 ARG A 72 40.897 25.387 23.787 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.707 25.833 22.103 1.00 0.00 H new ATOM 0 HG2 ARG A 72 42.749 27.297 22.340 1.00 0.00 H new ATOM 0 HG3 ARG A 72 42.967 26.636 23.948 1.00 0.00 H new ATOM 0 HD2 ARG A 72 43.012 24.326 22.913 1.00 0.00 H new ATOM 0 HD3 ARG A 72 42.984 25.089 21.335 1.00 0.00 H new ATOM 0 HE ARG A 72 45.196 25.511 23.302 1.00 0.00 H new ATOM 0 HH11 ARG A 72 44.075 25.271 19.946 1.00 0.00 H new ATOM 0 HH12 ARG A 72 45.711 25.122 19.297 1.00 0.00 H new ATOM 0 HH21 ARG A 72 47.269 25.174 22.512 1.00 0.00 H new ATOM 0 HH22 ARG A 72 47.548 25.067 20.771 1.00 0.00 H new ATOM 1174 N LEU A 73 40.777 29.803 23.290 1.00 0.00 N ATOM 1175 CA LEU A 73 41.475 30.831 22.541 1.00 0.00 C ATOM 1176 C LEU A 73 42.591 31.331 23.453 1.00 0.00 C ATOM 1177 O LEU A 73 42.885 30.612 24.398 1.00 0.00 O ATOM 1178 CB LEU A 73 40.467 31.810 21.941 1.00 0.00 C ATOM 1179 CG LEU A 73 40.505 32.243 20.475 1.00 0.00 C ATOM 1180 CD1 LEU A 73 41.716 33.126 20.188 1.00 0.00 C ATOM 1181 CD2 LEU A 73 40.223 31.132 19.463 1.00 0.00 C ATOM 0 H LEU A 73 40.568 30.045 24.259 1.00 0.00 H new ATOM 0 HA LEU A 73 41.988 30.505 21.636 1.00 0.00 H new ATOM 0 HB2 LEU A 73 39.479 31.383 22.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 40.528 32.722 22.536 1.00 0.00 H new ATOM 0 HG LEU A 73 39.638 32.883 20.313 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.714 33.417 19.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.671 34.019 20.812 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.629 32.574 20.410 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.273 31.539 18.453 1.00 0.00 H new ATOM 0 HD22 LEU A 73 40.966 30.342 19.573 1.00 0.00 H new ATOM 0 HD23 LEU A 73 39.229 30.722 19.640 1.00 0.00 H new ATOM 1193 N ARG A 74 43.107 32.537 23.224 1.00 0.00 N ATOM 1194 CA ARG A 74 44.097 33.286 23.966 1.00 0.00 C ATOM 1195 C ARG A 74 43.536 33.591 25.355 1.00 0.00 C ATOM 1196 O ARG A 74 43.996 32.956 26.296 1.00 0.00 O ATOM 1197 CB ARG A 74 44.515 34.609 23.320 1.00 0.00 C ATOM 1198 CG ARG A 74 45.269 34.408 22.007 1.00 0.00 C ATOM 1199 CD ARG A 74 45.541 35.810 21.452 1.00 0.00 C ATOM 1200 NE ARG A 74 44.410 36.463 20.800 1.00 0.00 N ATOM 1201 CZ ARG A 74 43.967 36.243 19.556 1.00 0.00 C ATOM 1202 NH1 ARG A 74 44.545 35.320 18.769 1.00 0.00 N ATOM 1203 NH2 ARG A 74 42.926 36.947 19.092 1.00 0.00 N ATOM 0 H ARG A 74 42.796 33.070 22.412 1.00 0.00 H new ATOM 0 HA ARG A 74 44.989 32.660 23.996 1.00 0.00 H new ATOM 0 HB2 ARG A 74 43.628 35.216 23.136 1.00 0.00 H new ATOM 0 HB3 ARG A 74 45.144 35.166 24.015 1.00 0.00 H new ATOM 0 HG2 ARG A 74 46.201 33.867 22.172 1.00 0.00 H new ATOM 0 HG3 ARG A 74 44.679 33.819 21.305 1.00 0.00 H new ATOM 0 HD2 ARG A 74 45.881 36.445 22.270 1.00 0.00 H new ATOM 0 HD3 ARG A 74 46.361 35.745 20.737 1.00 0.00 H new ATOM 0 HE ARG A 74 43.905 37.159 21.349 1.00 0.00 H new ATOM 0 HH11 ARG A 74 45.334 34.775 19.117 1.00 0.00 H new ATOM 0 HH12 ARG A 74 44.195 35.165 17.824 1.00 0.00 H new ATOM 0 HH21 ARG A 74 42.477 37.645 19.685 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.582 36.785 18.145 1.00 0.00 H new ATOM 1217 N GLY A 75 42.466 34.379 25.461 1.00 0.00 N ATOM 1218 CA GLY A 75 41.891 34.636 26.769 1.00 0.00 C ATOM 1219 C GLY A 75 41.558 36.126 26.840 1.00 0.00 C ATOM 1220 O GLY A 75 40.853 36.499 27.773 1.00 0.00 O ATOM 0 H GLY A 75 41.996 34.835 24.679 1.00 0.00 H new ATOM 0 HA2 GLY A 75 40.994 34.035 26.918 1.00 0.00 H new ATOM 0 HA3 GLY A 75 42.593 34.362 27.557 1.00 0.00 H new ATOM 1224 N GLY A 76 42.000 36.936 25.885 1.00 0.00 N ATOM 1225 CA GLY A 76 41.817 38.375 25.798 1.00 0.00 C ATOM 1226 C GLY A 76 41.180 38.695 24.459 1.00 0.00 C ATOM 1227 O GLY A 76 41.070 37.790 23.607 1.00 0.00 O ATOM 1228 OXT GLY A 76 40.971 39.897 24.177 1.00 0.00 O ATOM 0 H GLY A 76 42.534 36.575 25.095 1.00 0.00 H new ATOM 0 HA2 GLY A 76 41.185 38.727 26.613 1.00 0.00 H new ATOM 0 HA3 GLY A 76 42.775 38.886 25.894 1.00 0.00 H new TER 1232 GLY A 76