USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 627 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 55 THR OG1 : rot 180:sc= -0.25 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.186 USER MOD Set 2.2: A 25 ASN : amide:sc= -1.57! K(o=-1.8!,f=1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.844 (180deg=0.359) USER MOD Single : A 2 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 79:sc= 1.02! USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00209 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 0.557 (180deg=0.0948) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0358) USER MOD Single : A 31 GLN : amide:sc= -4.68! K(o=-4.7!,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.55) USER MOD Single : A 41 GLN : amide:sc= -3.56! C(o=-3.6!,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.128 K(o=0.13,f=-1.3) USER MOD Single : A 59 TYR OH : rot -133:sc= 0.519 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 68 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.050 24.826 2.611 1.00 49.53 N ATOM 2 CA MET A 1 25.943 25.762 2.877 1.00 50.07 C ATOM 3 C MET A 1 26.332 27.130 3.486 1.00 50.51 C ATOM 4 O MET A 1 27.430 27.247 4.031 1.00 49.49 O ATOM 5 CB MET A 1 24.913 25.084 3.778 1.00 49.82 C ATOM 6 CG MET A 1 24.283 23.833 3.183 1.00 49.86 C ATOM 7 SD MET A 1 23.118 24.203 1.857 1.00 49.91 S ATOM 8 CE MET A 1 22.897 22.579 1.136 1.00 49.78 C ATOM 0 H1 MET A 1 26.719 24.066 1.984 1.00 49.53 H new ATOM 0 H2 MET A 1 27.833 25.335 2.154 1.00 49.53 H new ATOM 0 H3 MET A 1 27.381 24.416 3.508 1.00 49.53 H new ATOM 0 HA MET A 1 25.541 26.001 1.892 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.391 24.822 4.722 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.123 25.799 4.009 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.069 23.183 2.799 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.768 23.281 3.970 1.00 49.86 H new ATOM 0 HE1 MET A 1 22.201 22.644 0.300 1.00 49.78 H new ATOM 0 HE2 MET A 1 23.857 22.205 0.780 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.499 21.898 1.888 1.00 49.78 H new ATOM 18 N GLN A 2 25.422 28.049 3.360 1.00 49.53 N ATOM 19 CA GLN A 2 25.670 29.403 3.947 1.00 50.07 C ATOM 20 C GLN A 2 25.307 29.343 5.423 1.00 50.51 C ATOM 21 O GLN A 2 24.451 28.538 5.885 1.00 49.49 O ATOM 22 CB GLN A 2 24.834 30.470 3.236 1.00 49.82 C ATOM 23 CG GLN A 2 25.234 31.898 3.570 1.00 49.82 C ATOM 24 CD GLN A 2 24.466 32.919 2.752 1.00 50.55 C ATOM 25 OE1 GLN A 2 23.257 33.097 2.932 1.00 49.45 O ATOM 26 NE2 GLN A 2 25.163 33.597 1.847 1.00 49.38 N ATOM 0 H GLN A 2 24.527 27.931 2.884 1.00 49.53 H new ATOM 0 HA GLN A 2 26.718 29.675 3.822 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.917 30.323 2.159 1.00 49.82 H new ATOM 0 HB3 GLN A 2 23.785 30.328 3.497 1.00 49.82 H new ATOM 0 HG2 GLN A 2 25.062 32.082 4.630 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.302 32.024 3.394 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.160 33.417 1.732 1.00 49.38 H new ATOM 0 HE22 GLN A 2 24.701 34.297 1.267 1.00 49.38 H new ATOM 35 N ILE A 3 26.000 30.158 6.206 1.00 49.53 N ATOM 36 CA ILE A 3 25.656 30.311 7.632 1.00 50.07 C ATOM 37 C ILE A 3 26.362 31.612 8.114 1.00 50.51 C ATOM 38 O ILE A 3 27.537 31.726 7.810 1.00 49.49 O ATOM 39 CB ILE A 3 26.125 29.113 8.477 1.00 49.91 C ATOM 40 CG1 ILE A 3 25.448 29.130 9.851 1.00 49.82 C ATOM 41 CG2 ILE A 3 27.639 29.128 8.627 1.00 49.73 C ATOM 42 CD1 ILE A 3 25.617 27.847 10.632 1.00 49.73 C ATOM 0 H ILE A 3 26.793 30.719 5.895 1.00 49.53 H new ATOM 0 HA ILE A 3 24.574 30.362 7.750 1.00 50.07 H new ATOM 0 HB ILE A 3 25.840 28.195 7.964 1.00 49.91 H new ATOM 0 HG12 ILE A 3 25.854 29.956 10.435 1.00 49.82 H new ATOM 0 HG13 ILE A 3 24.384 29.326 9.719 1.00 49.82 H new ATOM 0 HG21 ILE A 3 27.954 28.274 9.227 1.00 49.73 H new ATOM 0 HG22 ILE A 3 28.103 29.070 7.642 1.00 49.73 H new ATOM 0 HG23 ILE A 3 27.947 30.051 9.119 1.00 49.73 H new ATOM 0 HD11 ILE A 3 25.110 27.937 11.593 1.00 49.73 H new ATOM 0 HD12 ILE A 3 25.185 27.019 10.070 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.678 27.659 10.797 1.00 49.73 H new ATOM 54 N PHE A 4 25.603 32.373 8.868 1.00 49.53 N ATOM 55 CA PHE A 4 26.208 33.655 9.393 1.00 50.07 C ATOM 56 C PHE A 4 26.583 33.588 10.847 1.00 50.51 C ATOM 57 O PHE A 4 25.796 32.979 11.587 1.00 49.49 O ATOM 58 CB PHE A 4 25.248 34.822 9.160 1.00 49.82 C ATOM 59 CG PHE A 4 24.842 34.997 7.725 1.00 50.00 C ATOM 60 CD1 PHE A 4 23.883 34.173 7.155 1.00 49.88 C ATOM 61 CD2 PHE A 4 25.419 35.984 6.941 1.00 49.88 C ATOM 62 CE1 PHE A 4 23.509 34.332 5.835 1.00 49.88 C ATOM 63 CE2 PHE A 4 25.046 36.147 5.621 1.00 49.88 C ATOM 64 CZ PHE A 4 24.090 35.319 5.067 1.00 49.88 C ATOM 0 H PHE A 4 24.638 32.183 9.136 1.00 49.53 H new ATOM 0 HA PHE A 4 27.133 33.809 8.837 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.354 34.671 9.765 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.717 35.742 9.510 1.00 49.82 H new ATOM 0 HD1 PHE A 4 23.423 33.398 7.750 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.169 36.633 7.367 1.00 49.88 H new ATOM 0 HE1 PHE A 4 22.761 33.683 5.404 1.00 49.88 H new ATOM 0 HE2 PHE A 4 25.502 36.922 5.023 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.798 35.444 4.035 1.00 49.88 H new ATOM 74 N VAL A 5 27.672 34.201 11.300 1.00 49.53 N ATOM 75 CA VAL A 5 28.008 34.228 12.708 1.00 50.07 C ATOM 76 C VAL A 5 27.797 35.680 13.204 1.00 50.51 C ATOM 77 O VAL A 5 28.660 36.468 12.798 1.00 49.49 O ATOM 78 CB VAL A 5 29.464 33.797 12.966 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.826 33.988 14.431 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.671 32.347 12.554 1.00 49.73 C ATOM 0 H VAL A 5 28.339 34.688 10.701 1.00 49.53 H new ATOM 0 HA VAL A 5 27.371 33.523 13.243 1.00 50.07 H new ATOM 0 HB VAL A 5 30.120 34.426 12.364 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.858 33.678 14.594 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.716 35.039 14.699 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.164 33.384 15.051 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.705 32.059 12.743 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.005 31.706 13.131 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.452 32.236 11.492 1.00 49.73 H new ATOM 90 N LYS A 6 26.757 35.910 13.929 1.00 49.53 N ATOM 91 CA LYS A 6 26.461 37.303 14.413 1.00 50.07 C ATOM 92 C LYS A 6 26.908 37.468 15.839 1.00 50.51 C ATOM 93 O LYS A 6 26.266 36.931 16.770 1.00 49.49 O ATOM 94 CB LYS A 6 24.967 37.609 14.288 1.00 49.82 C ATOM 95 CG LYS A 6 24.580 39.026 14.687 1.00 49.82 C ATOM 96 CD LYS A 6 23.090 39.267 14.498 1.00 49.82 C ATOM 97 CE LYS A 6 22.702 40.682 14.901 1.00 50.21 C ATOM 98 NZ LYS A 6 21.249 40.938 14.703 1.00 49.70 N ATOM 0 H LYS A 6 26.084 35.200 14.219 1.00 49.53 H new ATOM 0 HA LYS A 6 27.012 38.007 13.790 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.659 37.438 13.257 1.00 49.82 H new ATOM 0 HB3 LYS A 6 24.411 36.905 14.908 1.00 49.82 H new ATOM 0 HG2 LYS A 6 24.849 39.199 15.729 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.145 39.741 14.089 1.00 49.82 H new ATOM 0 HD2 LYS A 6 22.822 39.097 13.455 1.00 49.82 H new ATOM 0 HD3 LYS A 6 22.525 38.550 15.093 1.00 49.82 H new ATOM 0 HE2 LYS A 6 22.960 40.845 15.947 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.280 41.397 14.315 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.026 41.913 14.989 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.007 40.808 13.700 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 20.697 40.273 15.281 1.00 49.70 H new ATOM 112 N THR A 7 27.981 38.262 16.062 1.00 49.53 N ATOM 113 CA THR A 7 28.473 38.471 17.431 1.00 50.07 C ATOM 114 C THR A 7 27.851 39.655 18.177 1.00 50.51 C ATOM 115 O THR A 7 26.888 40.221 17.655 1.00 49.49 O ATOM 116 CB THR A 7 30.003 38.643 17.443 1.00 50.14 C ATOM 117 OG1 THR A 7 30.456 38.831 18.790 1.00 49.34 O ATOM 118 CG2 THR A 7 30.412 39.844 16.603 1.00 49.73 C ATOM 0 H THR A 7 28.503 38.751 15.335 1.00 49.53 H new ATOM 0 HA THR A 7 28.166 37.569 17.961 1.00 50.07 H new ATOM 0 HB THR A 7 30.457 37.746 17.022 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.499 37.964 19.245 1.00 49.34 H new ATOM 0 HG21 THR A 7 31.497 39.950 16.623 1.00 49.73 H new ATOM 0 HG22 THR A 7 30.081 39.699 15.575 1.00 49.73 H new ATOM 0 HG23 THR A 7 29.952 40.745 17.008 1.00 49.73 H new ATOM 126 N LEU A 8 28.370 39.995 19.336 1.00 49.53 N ATOM 127 CA LEU A 8 27.796 41.100 20.136 1.00 50.07 C ATOM 128 C LEU A 8 28.401 42.455 19.828 1.00 50.51 C ATOM 129 O LEU A 8 28.066 43.446 20.504 1.00 49.49 O ATOM 130 CB LEU A 8 27.942 40.792 21.631 1.00 49.82 C ATOM 131 CG LEU A 8 27.353 39.448 22.081 1.00 49.91 C ATOM 132 CD1 LEU A 8 27.652 39.215 23.555 1.00 49.73 C ATOM 133 CD2 LEU A 8 25.853 39.439 21.826 1.00 49.73 C ATOM 0 H LEU A 8 29.179 39.540 19.758 1.00 49.53 H new ATOM 0 HA LEU A 8 26.743 41.164 19.860 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.001 40.811 21.888 1.00 49.82 H new ATOM 0 HB3 LEU A 8 27.462 41.589 22.199 1.00 49.82 H new ATOM 0 HG LEU A 8 27.810 38.641 21.509 1.00 49.91 H new ATOM 0 HD11 LEU A 8 27.230 38.259 23.865 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.731 39.203 23.710 1.00 49.73 H new ATOM 0 HD13 LEU A 8 27.209 40.016 24.147 1.00 49.73 H new ATOM 0 HD21 LEU A 8 25.435 38.484 22.146 1.00 49.73 H new ATOM 0 HD22 LEU A 8 25.384 40.247 22.388 1.00 49.73 H new ATOM 0 HD23 LEU A 8 25.664 39.579 20.762 1.00 49.73 H new ATOM 145 N THR A 9 29.265 42.535 18.797 1.00 49.53 N ATOM 146 CA THR A 9 29.838 43.898 18.531 1.00 50.07 C ATOM 147 C THR A 9 29.260 44.603 17.342 1.00 50.51 C ATOM 148 O THR A 9 29.635 45.742 17.010 1.00 49.49 O ATOM 149 CB THR A 9 31.366 43.828 18.357 1.00 50.14 C ATOM 150 OG1 THR A 9 31.682 43.075 17.179 1.00 49.34 O ATOM 151 CG2 THR A 9 32.010 43.166 19.565 1.00 49.73 C ATOM 0 H THR A 9 29.566 41.775 18.187 1.00 49.53 H new ATOM 0 HA THR A 9 29.566 44.480 19.412 1.00 50.07 H new ATOM 0 HB THR A 9 31.752 44.843 18.262 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.655 43.033 17.069 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.090 43.125 19.425 1.00 49.73 H new ATOM 0 HG22 THR A 9 31.782 43.743 20.461 1.00 49.73 H new ATOM 0 HG23 THR A 9 31.620 42.154 19.676 1.00 49.73 H new ATOM 159 N GLY A 10 28.331 43.998 16.667 1.00 49.53 N ATOM 160 CA GLY A 10 27.684 44.560 15.503 1.00 49.98 C ATOM 161 C GLY A 10 28.559 44.115 14.370 1.00 50.51 C ATOM 162 O GLY A 10 28.726 44.851 13.372 1.00 49.49 O ATOM 0 H GLY A 10 27.986 43.070 16.912 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.665 44.191 15.392 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.625 45.647 15.562 1.00 49.98 H new ATOM 166 N LYS A 11 29.072 42.915 14.469 1.00 49.53 N ATOM 167 CA LYS A 11 29.852 42.306 13.401 1.00 50.07 C ATOM 168 C LYS A 11 29.295 41.066 12.665 1.00 50.51 C ATOM 169 O LYS A 11 28.465 40.392 13.265 1.00 49.49 O ATOM 170 CB LYS A 11 31.247 41.970 13.929 1.00 49.82 C ATOM 171 CG LYS A 11 32.181 43.166 14.047 1.00 49.82 C ATOM 172 CD LYS A 11 33.574 42.740 14.489 1.00 49.82 C ATOM 173 CE LYS A 11 34.423 43.940 14.880 1.00 50.21 C ATOM 174 NZ LYS A 11 34.784 44.774 13.703 1.00 49.70 N ATOM 0 H LYS A 11 28.965 42.323 15.293 1.00 49.53 H new ATOM 0 HA LYS A 11 29.831 43.077 12.631 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.148 41.504 14.909 1.00 49.82 H new ATOM 0 HB3 LYS A 11 31.704 41.232 13.269 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.243 43.678 13.087 1.00 49.82 H new ATOM 0 HG3 LYS A 11 31.773 43.880 14.763 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.496 42.057 15.334 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.063 42.194 13.682 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.879 44.549 15.603 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.332 43.596 15.373 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 35.362 45.581 14.013 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.325 44.201 13.024 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.918 45.124 13.247 1.00 49.70 H new ATOM 188 N THR A 12 29.800 40.816 11.471 1.00 49.53 N ATOM 189 CA THR A 12 29.351 39.592 10.780 1.00 50.07 C ATOM 190 C THR A 12 30.363 38.683 10.085 1.00 50.51 C ATOM 191 O THR A 12 31.074 39.211 9.227 1.00 49.49 O ATOM 192 CB THR A 12 28.265 39.938 9.745 1.00 50.14 C ATOM 193 OG1 THR A 12 27.222 40.690 10.378 1.00 49.34 O ATOM 194 CG2 THR A 12 27.678 38.672 9.142 1.00 49.73 C ATOM 0 H THR A 12 30.478 41.393 10.974 1.00 49.53 H new ATOM 0 HA THR A 12 29.014 38.999 11.630 1.00 50.07 H new ATOM 0 HB THR A 12 28.718 40.529 8.949 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.532 40.911 9.718 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.912 38.937 8.413 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.467 38.104 8.649 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.233 38.066 9.931 1.00 49.73 H new ATOM 202 N ILE A 13 30.373 37.408 10.476 1.00 49.53 N ATOM 203 CA ILE A 13 31.364 36.537 9.778 1.00 50.07 C ATOM 204 C ILE A 13 30.597 35.623 8.864 1.00 50.51 C ATOM 205 O ILE A 13 29.531 35.105 9.252 1.00 49.49 O ATOM 206 CB ILE A 13 32.197 35.702 10.768 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.020 36.618 11.678 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.104 34.738 10.018 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.676 35.900 12.835 1.00 49.73 C ATOM 0 H ILE A 13 29.785 36.975 11.188 1.00 49.53 H new ATOM 0 HA ILE A 13 32.063 37.163 9.223 1.00 50.07 H new ATOM 0 HB ILE A 13 31.517 35.120 11.390 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.791 37.108 11.083 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.372 37.402 12.070 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.686 34.155 10.732 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.498 34.066 9.410 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.779 35.301 9.373 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.241 36.615 13.434 1.00 49.73 H new ATOM 0 HD12 ILE A 13 32.910 35.433 13.454 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.351 35.134 12.452 1.00 49.73 H new ATOM 221 N THR A 14 31.066 35.429 7.652 1.00 49.53 N ATOM 222 CA THR A 14 30.317 34.485 6.770 1.00 50.07 C ATOM 223 C THR A 14 31.141 33.285 6.383 1.00 50.51 C ATOM 224 O THR A 14 32.164 33.424 5.662 1.00 49.49 O ATOM 225 CB THR A 14 29.826 35.186 5.489 1.00 50.14 C ATOM 226 OG1 THR A 14 29.015 36.315 5.839 1.00 49.34 O ATOM 227 CG2 THR A 14 29.010 34.226 4.636 1.00 49.73 C ATOM 0 H THR A 14 31.898 35.863 7.251 1.00 49.53 H new ATOM 0 HA THR A 14 29.462 34.145 7.353 1.00 50.07 H new ATOM 0 HB THR A 14 30.694 35.517 4.918 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.705 36.761 5.023 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.671 34.738 3.735 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.627 33.372 4.358 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.146 33.880 5.203 1.00 49.73 H new ATOM 235 N LEU A 15 30.729 32.088 6.766 1.00 49.53 N ATOM 236 CA LEU A 15 31.464 30.881 6.455 1.00 50.07 C ATOM 237 C LEU A 15 30.750 29.690 5.805 1.00 50.51 C ATOM 238 O LEU A 15 29.686 29.370 6.319 1.00 49.49 O ATOM 239 CB LEU A 15 32.166 30.391 7.727 1.00 49.82 C ATOM 240 CG LEU A 15 33.037 29.140 7.552 1.00 49.91 C ATOM 241 CD1 LEU A 15 34.250 29.463 6.691 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.466 28.623 8.917 1.00 49.73 C ATOM 0 H LEU A 15 29.875 31.929 7.301 1.00 49.53 H new ATOM 0 HA LEU A 15 32.127 31.218 5.658 1.00 50.07 H new ATOM 0 HB2 LEU A 15 32.790 31.198 8.112 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.409 30.184 8.484 1.00 49.82 H new ATOM 0 HG LEU A 15 32.460 28.364 7.049 1.00 49.91 H new ATOM 0 HD11 LEU A 15 34.861 28.568 6.573 1.00 49.73 H new ATOM 0 HD12 LEU A 15 33.919 29.808 5.711 1.00 49.73 H new ATOM 0 HD13 LEU A 15 34.839 30.244 7.171 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.085 27.734 8.792 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.038 29.393 9.434 1.00 49.73 H new ATOM 0 HD23 LEU A 15 32.583 28.371 9.504 1.00 49.73 H new ATOM 254 N GLU A 16 31.394 29.124 4.813 1.00 49.53 N ATOM 255 CA GLU A 16 30.802 27.872 4.237 1.00 50.07 C ATOM 256 C GLU A 16 31.076 26.616 5.035 1.00 50.51 C ATOM 257 O GLU A 16 32.154 26.500 5.617 1.00 49.49 O ATOM 258 CB GLU A 16 31.293 27.677 2.800 1.00 49.82 C ATOM 259 CG GLU A 16 30.477 26.683 1.986 1.00 49.72 C ATOM 260 CD GLU A 16 31.173 26.323 0.704 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.440 27.208 -0.073 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.541 25.182 0.552 1.00 49.24 O ATOM 0 H GLU A 16 32.263 29.453 4.392 1.00 49.53 H new ATOM 0 HA GLU A 16 29.723 28.020 4.270 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.281 28.641 2.291 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.330 27.342 2.826 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.306 25.782 2.575 1.00 49.72 H new ATOM 0 HG3 GLU A 16 29.499 27.109 1.764 1.00 49.72 H new ATOM 269 N VAL A 17 30.029 25.808 5.099 1.00 49.53 N ATOM 270 CA VAL A 17 30.059 24.562 5.857 1.00 50.07 C ATOM 271 C VAL A 17 29.334 23.394 5.173 1.00 50.51 C ATOM 272 O VAL A 17 28.702 23.546 4.102 1.00 49.49 O ATOM 273 CB VAL A 17 29.461 24.754 7.263 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.190 25.866 8.004 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.975 25.063 7.172 1.00 49.73 C ATOM 0 H VAL A 17 29.141 25.993 4.632 1.00 49.53 H new ATOM 0 HA VAL A 17 31.115 24.300 5.919 1.00 50.07 H new ATOM 0 HB VAL A 17 29.587 23.826 7.821 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.755 25.988 8.996 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.245 25.609 8.100 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.093 26.798 7.448 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.569 25.196 8.175 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.828 25.977 6.597 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.461 24.238 6.679 1.00 49.73 H new ATOM 285 N GLU A 18 29.470 22.268 5.837 1.00 49.53 N ATOM 286 CA GLU A 18 28.790 21.024 5.472 1.00 50.07 C ATOM 287 C GLU A 18 28.005 20.522 6.675 1.00 50.51 C ATOM 288 O GLU A 18 28.436 20.645 7.810 1.00 49.49 O ATOM 289 CB GLU A 18 29.795 19.968 5.007 1.00 49.82 C ATOM 290 CG GLU A 18 30.575 20.350 3.757 1.00 49.72 C ATOM 291 CD GLU A 18 31.721 19.406 3.518 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.543 19.268 4.391 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.713 18.739 2.511 1.00 49.24 O ATOM 0 H GLU A 18 30.064 22.179 6.661 1.00 49.53 H new ATOM 0 HA GLU A 18 28.108 21.216 4.643 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.500 19.774 5.815 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.263 19.036 4.818 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.909 20.343 2.894 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.954 21.367 3.859 1.00 49.72 H new ATOM 300 N PRO A 19 26.833 19.964 6.433 1.00 49.71 N ATOM 301 CA PRO A 19 25.998 19.395 7.492 1.00 50.02 C ATOM 302 C PRO A 19 26.743 18.363 8.305 1.00 50.51 C ATOM 303 O PRO A 19 26.389 18.064 9.453 1.00 49.49 O ATOM 304 CB PRO A 19 24.821 18.753 6.724 1.00 49.82 C ATOM 305 CG PRO A 19 24.723 19.603 5.500 1.00 49.82 C ATOM 306 CD PRO A 19 26.205 19.814 5.097 1.00 50.00 C ATOM 0 HA PRO A 19 25.678 20.146 8.214 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.020 17.710 6.477 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.899 18.773 7.306 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.157 19.108 4.710 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.223 20.549 5.706 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.608 18.966 4.543 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.343 20.697 4.473 1.00 50.00 H new ATOM 314 N SER A 20 27.761 17.757 7.717 1.00 49.53 N ATOM 315 CA SER A 20 28.507 16.701 8.420 1.00 50.07 C ATOM 316 C SER A 20 29.635 17.176 9.306 1.00 50.51 C ATOM 317 O SER A 20 30.376 16.320 9.820 1.00 49.49 O ATOM 318 CB SER A 20 29.043 15.707 7.409 1.00 50.05 C ATOM 319 OG SER A 20 29.858 16.320 6.448 1.00 49.34 O ATOM 0 H SER A 20 28.093 17.965 6.775 1.00 49.53 H new ATOM 0 HA SER A 20 27.786 16.244 9.098 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.612 14.935 7.927 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.209 15.210 6.913 1.00 50.05 H new ATOM 0 HG SER A 20 30.184 15.645 5.817 1.00 49.34 H new ATOM 325 N ASP A 21 29.843 18.493 9.360 1.00 49.53 N ATOM 326 CA ASP A 21 30.964 18.975 10.210 1.00 50.07 C ATOM 327 C ASP A 21 30.487 18.959 11.640 1.00 50.51 C ATOM 328 O ASP A 21 29.271 18.995 11.908 1.00 49.49 O ATOM 329 CB ASP A 21 31.402 20.382 9.800 1.00 49.72 C ATOM 330 CG ASP A 21 32.051 20.463 8.425 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.930 19.679 8.157 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.561 21.198 7.601 1.00 49.24 O ATOM 0 H ASP A 21 29.304 19.208 8.871 1.00 49.53 H new ATOM 0 HA ASP A 21 31.832 18.327 10.089 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.533 21.039 9.817 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.104 20.762 10.543 1.00 49.72 H new ATOM 337 N THR A 22 31.434 18.956 12.562 1.00 49.53 N ATOM 338 CA THR A 22 31.139 19.033 13.974 1.00 50.07 C ATOM 339 C THR A 22 31.575 20.464 14.363 1.00 50.51 C ATOM 340 O THR A 22 32.504 21.006 13.757 1.00 49.49 O ATOM 341 CB THR A 22 31.918 17.992 14.800 1.00 50.14 C ATOM 342 OG1 THR A 22 33.321 18.284 14.739 1.00 49.34 O ATOM 343 CG2 THR A 22 31.670 16.591 14.262 1.00 49.73 C ATOM 0 H THR A 22 32.430 18.900 12.348 1.00 49.53 H new ATOM 0 HA THR A 22 30.088 18.825 14.175 1.00 50.07 H new ATOM 0 HB THR A 22 31.575 18.038 15.834 1.00 50.14 H new ATOM 0 HG1 THR A 22 33.816 17.622 15.266 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.228 15.869 14.857 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.606 16.363 14.318 1.00 49.73 H new ATOM 0 HG23 THR A 22 31.998 16.536 13.224 1.00 49.73 H new ATOM 351 N ILE A 23 30.917 20.944 15.419 1.00 49.53 N ATOM 352 CA ILE A 23 31.258 22.246 15.988 1.00 50.07 C ATOM 353 C ILE A 23 32.709 22.437 16.433 1.00 50.51 C ATOM 354 O ILE A 23 33.212 23.564 16.588 1.00 49.49 O ATOM 355 CB ILE A 23 30.344 22.572 17.183 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.891 22.711 16.722 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.809 23.844 17.876 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.708 23.653 15.554 1.00 49.73 C ATOM 0 H ILE A 23 30.155 20.458 15.892 1.00 49.53 H new ATOM 0 HA ILE A 23 31.108 22.930 15.152 1.00 50.07 H new ATOM 0 HB ILE A 23 30.401 21.751 17.897 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.512 21.727 16.446 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.287 23.062 17.558 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.152 24.060 18.719 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.829 23.710 18.236 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.779 24.674 17.170 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.653 23.699 15.285 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.055 24.648 15.831 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.284 23.292 14.702 1.00 49.73 H new ATOM 370 N GLU A 24 33.383 21.344 16.708 1.00 49.53 N ATOM 371 CA GLU A 24 34.834 21.425 17.088 1.00 50.07 C ATOM 372 C GLU A 24 35.496 21.913 15.823 1.00 50.51 C ATOM 373 O GLU A 24 36.469 22.705 15.862 1.00 49.49 O ATOM 374 CB GLU A 24 35.381 20.061 17.517 1.00 49.82 C ATOM 375 CG GLU A 24 36.890 20.024 17.717 1.00 49.72 C ATOM 376 CD GLU A 24 37.316 18.768 18.423 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.813 18.507 19.490 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.060 18.010 17.846 1.00 49.24 O ATOM 0 H GLU A 24 32.994 20.401 16.686 1.00 49.53 H new ATOM 0 HA GLU A 24 35.013 22.079 17.942 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.896 19.765 18.447 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.108 19.321 16.765 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.389 20.087 16.750 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.204 20.893 18.295 1.00 49.72 H new ATOM 385 N ASN A 25 35.037 21.421 14.685 1.00 49.53 N ATOM 386 CA ASN A 25 35.561 21.772 13.358 1.00 50.07 C ATOM 387 C ASN A 25 35.257 23.221 12.979 1.00 50.51 C ATOM 388 O ASN A 25 36.127 23.937 12.441 1.00 49.49 O ATOM 389 CB ASN A 25 35.030 20.834 12.290 1.00 49.82 C ATOM 390 CG ASN A 25 35.688 19.482 12.291 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.891 19.356 12.034 1.00 49.45 O ATOM 392 ND2 ASN A 25 34.891 18.465 12.495 1.00 49.38 N ATOM 0 H ASN A 25 34.271 20.749 14.648 1.00 49.53 H new ATOM 0 HA ASN A 25 36.644 21.663 13.416 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.957 20.706 12.432 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.169 21.295 11.312 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.255 17.514 12.445 1.00 49.38 H new ATOM 0 HD22 ASN A 25 33.905 18.623 12.704 1.00 49.38 H new ATOM 399 N VAL A 26 34.024 23.611 13.271 1.00 49.53 N ATOM 400 CA VAL A 26 33.593 24.977 12.997 1.00 50.07 C ATOM 401 C VAL A 26 34.415 26.028 13.735 1.00 50.51 C ATOM 402 O VAL A 26 34.758 27.078 13.182 1.00 49.49 O ATOM 403 CB VAL A 26 32.107 25.173 13.352 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.759 26.653 13.387 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.220 24.442 12.355 1.00 49.73 C ATOM 0 H VAL A 26 33.313 23.012 13.691 1.00 49.53 H new ATOM 0 HA VAL A 26 33.747 25.119 11.927 1.00 50.07 H new ATOM 0 HB VAL A 26 31.931 24.753 14.343 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.705 26.773 13.639 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.371 27.153 14.138 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.951 27.095 12.409 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.174 24.591 12.621 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.399 24.833 11.354 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.451 23.377 12.375 1.00 49.73 H new ATOM 415 N LYS A 27 34.771 25.716 14.976 1.00 49.53 N ATOM 416 CA LYS A 27 35.561 26.651 15.792 1.00 50.07 C ATOM 417 C LYS A 27 36.983 26.606 15.258 1.00 50.51 C ATOM 418 O LYS A 27 37.711 27.623 15.383 1.00 49.49 O ATOM 419 CB LYS A 27 35.520 26.263 17.270 1.00 49.82 C ATOM 420 CG LYS A 27 34.171 26.485 17.942 1.00 49.82 C ATOM 421 CD LYS A 27 34.269 26.319 19.450 1.00 49.82 C ATOM 422 CE LYS A 27 32.917 26.521 20.120 1.00 50.21 C ATOM 423 NZ LYS A 27 32.993 26.336 21.594 1.00 49.70 N ATOM 0 H LYS A 27 34.533 24.839 15.440 1.00 49.53 H new ATOM 0 HA LYS A 27 35.153 27.659 15.725 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.791 25.211 17.365 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.277 26.836 17.805 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.806 27.485 17.707 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.443 25.778 17.543 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.648 25.324 19.684 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.986 27.036 19.851 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.549 27.523 19.899 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.197 25.817 19.703 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 32.112 25.901 21.935 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.797 25.718 21.825 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.123 27.260 22.054 1.00 49.70 H new ATOM 437 N ALA A 28 37.409 25.479 14.727 1.00 49.53 N ATOM 438 CA ALA A 28 38.742 25.353 14.124 1.00 50.07 C ATOM 439 C ALA A 28 38.946 26.191 12.875 1.00 50.51 C ATOM 440 O ALA A 28 40.069 26.758 12.650 1.00 49.49 O ATOM 441 CB ALA A 28 39.041 23.873 13.817 1.00 49.73 C ATOM 0 H ALA A 28 36.854 24.624 14.695 1.00 49.53 H new ATOM 0 HA ALA A 28 39.442 25.743 14.863 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.031 23.787 13.370 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.009 23.296 14.741 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.295 23.488 13.122 1.00 49.73 H new ATOM 447 N LYS A 29 37.935 26.350 12.034 1.00 49.53 N ATOM 448 CA LYS A 29 38.043 27.223 10.847 1.00 50.07 C ATOM 449 C LYS A 29 38.229 28.718 11.167 1.00 50.51 C ATOM 450 O LYS A 29 38.936 29.483 10.466 1.00 49.49 O ATOM 451 CB LYS A 29 36.814 27.042 9.954 1.00 49.82 C ATOM 452 CG LYS A 29 36.680 25.653 9.344 1.00 49.82 C ATOM 453 CD LYS A 29 37.751 25.403 8.293 1.00 49.82 C ATOM 454 CE LYS A 29 37.597 24.027 7.661 1.00 50.21 C ATOM 455 NZ LYS A 29 37.924 22.936 8.619 1.00 49.70 N ATOM 0 H LYS A 29 37.029 25.893 12.140 1.00 49.53 H new ATOM 0 HA LYS A 29 38.951 26.909 10.333 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.920 27.257 10.539 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.853 27.777 9.150 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.756 24.900 10.129 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.693 25.546 8.893 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.690 26.169 7.520 1.00 49.82 H new ATOM 0 HD3 LYS A 29 38.737 25.487 8.749 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.574 23.903 7.306 1.00 50.21 H new ATOM 0 HE3 LYS A 29 38.248 23.953 6.790 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 37.922 22.024 8.120 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.865 23.105 9.029 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 37.214 22.916 9.378 1.00 49.70 H new ATOM 469 N ILE A 30 37.641 29.145 12.284 1.00 49.53 N ATOM 470 CA ILE A 30 37.764 30.562 12.675 1.00 50.07 C ATOM 471 C ILE A 30 39.170 30.930 13.169 1.00 50.51 C ATOM 472 O ILE A 30 39.685 32.016 12.819 1.00 49.49 O ATOM 473 CB ILE A 30 36.742 30.930 13.767 1.00 49.91 C ATOM 474 CG1 ILE A 30 35.319 30.874 13.206 1.00 49.82 C ATOM 475 CG2 ILE A 30 37.042 32.309 14.332 1.00 49.73 C ATOM 476 CD1 ILE A 30 34.241 30.958 14.264 1.00 49.73 C ATOM 0 H ILE A 30 37.094 28.562 12.917 1.00 49.53 H new ATOM 0 HA ILE A 30 37.564 31.133 11.768 1.00 50.07 H new ATOM 0 HB ILE A 30 36.821 30.204 14.576 1.00 49.91 H new ATOM 0 HG12 ILE A 30 35.185 31.692 12.499 1.00 49.82 H new ATOM 0 HG13 ILE A 30 35.195 29.946 12.647 1.00 49.82 H new ATOM 0 HG21 ILE A 30 36.311 32.554 15.102 1.00 49.73 H new ATOM 0 HG22 ILE A 30 38.042 32.315 14.766 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.989 33.049 13.533 1.00 49.73 H new ATOM 0 HD11 ILE A 30 33.261 30.912 13.789 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.347 30.125 14.959 1.00 49.73 H new ATOM 0 HD13 ILE A 30 34.337 31.898 14.807 1.00 49.73 H new ATOM 488 N GLN A 31 39.767 30.122 14.009 1.00 49.53 N ATOM 489 CA GLN A 31 41.142 30.477 14.480 1.00 50.07 C ATOM 490 C GLN A 31 42.233 30.803 13.448 1.00 50.51 C ATOM 491 O GLN A 31 43.176 31.611 13.612 1.00 49.49 O ATOM 492 CB GLN A 31 41.665 29.357 15.386 1.00 49.82 C ATOM 493 CG GLN A 31 42.961 29.693 16.104 1.00 49.82 C ATOM 494 CD GLN A 31 43.586 28.480 16.766 1.00 50.55 C ATOM 495 OE1 GLN A 31 44.668 28.566 17.354 1.00 49.45 O ATOM 496 NE2 GLN A 31 42.911 27.342 16.671 1.00 49.38 N ATOM 0 H GLN A 31 39.377 29.256 14.381 1.00 49.53 H new ATOM 0 HA GLN A 31 40.975 31.432 14.979 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.903 29.119 16.128 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.817 28.460 14.786 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.668 30.120 15.392 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.768 30.456 16.858 1.00 49.82 H new ATOM 0 HE21 GLN A 31 42.020 27.317 16.175 1.00 49.38 H new ATOM 0 HE22 GLN A 31 43.283 26.492 17.094 1.00 49.38 H new ATOM 505 N ASP A 32 42.130 30.110 12.338 1.00 49.53 N ATOM 506 CA ASP A 32 43.092 30.317 11.231 1.00 50.07 C ATOM 507 C ASP A 32 43.145 31.749 10.743 1.00 50.51 C ATOM 508 O ASP A 32 44.189 32.441 10.758 1.00 49.49 O ATOM 509 CB ASP A 32 42.761 29.385 10.062 1.00 49.72 C ATOM 510 CG ASP A 32 43.091 27.920 10.313 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.916 27.652 11.154 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.409 27.079 9.778 1.00 49.24 O ATOM 0 H ASP A 32 41.413 29.407 12.159 1.00 49.53 H new ATOM 0 HA ASP A 32 44.078 30.083 11.633 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.699 29.472 9.834 1.00 49.72 H new ATOM 0 HB3 ASP A 32 43.305 29.721 9.180 1.00 49.72 H new ATOM 517 N LYS A 33 42.009 32.276 10.249 1.00 49.53 N ATOM 518 CA LYS A 33 42.106 33.649 9.683 1.00 50.07 C ATOM 519 C LYS A 33 42.058 34.827 10.589 1.00 50.51 C ATOM 520 O LYS A 33 43.090 35.584 10.605 1.00 49.49 O ATOM 521 CB LYS A 33 41.029 33.823 8.610 1.00 49.82 C ATOM 522 CG LYS A 33 40.902 32.648 7.650 1.00 49.82 C ATOM 523 CD LYS A 33 42.053 32.616 6.657 1.00 49.82 C ATOM 524 CE LYS A 33 41.917 31.453 5.686 1.00 50.21 C ATOM 525 NZ LYS A 33 43.066 31.377 4.744 1.00 49.70 N ATOM 0 H LYS A 33 41.092 31.830 10.224 1.00 49.53 H new ATOM 0 HA LYS A 33 43.131 33.670 9.314 1.00 50.07 H new ATOM 0 HB2 LYS A 33 40.068 33.982 9.099 1.00 49.82 H new ATOM 0 HB3 LYS A 33 41.247 34.724 8.036 1.00 49.82 H new ATOM 0 HG2 LYS A 33 40.880 31.716 8.214 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.957 32.717 7.112 1.00 49.82 H new ATOM 0 HD2 LYS A 33 42.083 33.554 6.102 1.00 49.82 H new ATOM 0 HD3 LYS A 33 42.997 32.534 7.195 1.00 49.82 H new ATOM 0 HE2 LYS A 33 41.844 30.520 6.245 1.00 50.21 H new ATOM 0 HE3 LYS A 33 40.991 31.559 5.121 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 42.934 30.571 4.100 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 43.121 32.256 4.192 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 43.947 31.250 5.281 1.00 49.70 H new ATOM 539 N GLU A 34 41.078 35.048 11.419 1.00 49.53 N ATOM 540 CA GLU A 34 40.985 36.173 12.322 1.00 50.07 C ATOM 541 C GLU A 34 42.168 36.026 13.244 1.00 50.51 C ATOM 542 O GLU A 34 43.007 36.930 13.309 1.00 49.49 O ATOM 543 CB GLU A 34 39.668 36.156 13.103 1.00 49.82 C ATOM 544 CG GLU A 34 39.518 37.293 14.105 1.00 49.72 C ATOM 545 CD GLU A 34 39.446 38.626 13.414 1.00 50.62 C ATOM 546 OE1 GLU A 34 39.254 38.646 12.222 1.00 49.24 O ATOM 547 OE2 GLU A 34 39.472 39.626 14.091 1.00 49.24 O ATOM 0 H GLU A 34 40.278 34.419 11.492 1.00 49.53 H new ATOM 0 HA GLU A 34 40.997 37.124 11.789 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.839 36.199 12.396 1.00 49.82 H new ATOM 0 HB3 GLU A 34 39.586 35.207 13.633 1.00 49.82 H new ATOM 0 HG2 GLU A 34 38.617 37.140 14.699 1.00 49.72 H new ATOM 0 HG3 GLU A 34 40.361 37.285 14.796 1.00 49.72 H new ATOM 554 N GLY A 35 42.245 34.924 13.972 1.00 49.53 N ATOM 555 CA GLY A 35 43.362 34.636 14.834 1.00 49.98 C ATOM 556 C GLY A 35 42.962 34.239 16.200 1.00 50.51 C ATOM 557 O GLY A 35 43.839 34.051 17.084 1.00 49.49 O ATOM 0 H GLY A 35 41.524 34.203 13.976 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.957 33.837 14.391 1.00 49.98 H new ATOM 0 HA3 GLY A 35 44.003 35.516 14.892 1.00 49.98 H new ATOM 561 N ILE A 36 41.657 34.020 16.435 1.00 49.53 N ATOM 562 CA ILE A 36 41.238 33.617 17.786 1.00 50.07 C ATOM 563 C ILE A 36 41.178 32.143 18.151 1.00 50.51 C ATOM 564 O ILE A 36 40.498 31.350 17.476 1.00 49.49 O ATOM 565 CB ILE A 36 39.865 34.230 18.118 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.985 35.746 18.291 1.00 49.82 C ATOM 567 CG2 ILE A 36 39.286 33.592 19.372 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.654 36.456 18.391 1.00 49.73 C ATOM 0 H ILE A 36 40.909 34.109 15.747 1.00 49.53 H new ATOM 0 HA ILE A 36 42.068 33.999 18.380 1.00 50.07 H new ATOM 0 HB ILE A 36 39.187 34.031 17.288 1.00 49.91 H new ATOM 0 HG12 ILE A 36 40.566 35.955 19.189 1.00 49.82 H new ATOM 0 HG13 ILE A 36 40.542 36.155 17.448 1.00 49.82 H new ATOM 0 HG21 ILE A 36 38.316 34.037 19.592 1.00 49.73 H new ATOM 0 HG22 ILE A 36 39.166 32.520 19.213 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.961 33.761 20.211 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.821 37.526 18.512 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.078 36.279 17.483 1.00 49.73 H new ATOM 0 HD13 ILE A 36 38.102 36.075 19.250 1.00 49.73 H new ATOM 580 N PRO A 37 41.859 31.760 19.225 1.00 49.71 N ATOM 581 CA PRO A 37 41.866 30.373 19.721 1.00 50.02 C ATOM 582 C PRO A 37 40.455 29.894 20.011 1.00 50.51 C ATOM 583 O PRO A 37 39.685 30.662 20.646 1.00 49.49 O ATOM 584 CB PRO A 37 42.651 30.551 21.056 1.00 49.82 C ATOM 585 CG PRO A 37 43.593 31.679 20.759 1.00 49.82 C ATOM 586 CD PRO A 37 42.685 32.682 20.059 1.00 50.00 C ATOM 0 HA PRO A 37 42.288 29.648 19.025 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.985 30.792 21.885 1.00 49.82 H new ATOM 0 HB3 PRO A 37 43.187 29.642 21.331 1.00 49.82 H new ATOM 0 HG2 PRO A 37 44.032 32.092 21.667 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.418 31.363 20.121 1.00 49.82 H new ATOM 0 HD2 PRO A 37 42.083 33.258 20.762 1.00 50.00 H new ATOM 0 HD3 PRO A 37 43.244 33.398 19.457 1.00 50.00 H new ATOM 594 N PRO A 38 40.108 28.687 19.638 1.00 49.71 N ATOM 595 CA PRO A 38 38.745 28.188 19.886 1.00 50.02 C ATOM 596 C PRO A 38 38.350 28.221 21.339 1.00 50.51 C ATOM 597 O PRO A 38 37.160 28.424 21.702 1.00 49.49 O ATOM 598 CB PRO A 38 38.751 26.800 19.254 1.00 49.82 C ATOM 599 CG PRO A 38 39.786 26.934 18.140 1.00 49.82 C ATOM 600 CD PRO A 38 40.909 27.703 18.867 1.00 50.00 C ATOM 0 HA PRO A 38 37.975 28.822 19.445 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.030 26.030 19.974 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.770 26.530 18.863 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.122 25.965 17.772 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.399 27.484 17.282 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.504 27.056 19.512 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.599 28.183 18.173 1.00 50.00 H new ATOM 608 N ASP A 39 39.287 28.036 22.236 1.00 49.53 N ATOM 609 CA ASP A 39 38.965 27.998 23.689 1.00 50.07 C ATOM 610 C ASP A 39 38.256 29.239 24.217 1.00 50.51 C ATOM 611 O ASP A 39 37.562 29.230 25.272 1.00 49.49 O ATOM 612 CB ASP A 39 40.241 27.758 24.500 1.00 49.72 C ATOM 613 CG ASP A 39 41.003 26.497 24.114 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.447 25.431 24.230 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.070 26.619 23.561 1.00 49.24 O ATOM 0 H ASP A 39 40.275 27.908 22.016 1.00 49.53 H new ATOM 0 HA ASP A 39 38.261 27.175 23.809 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.900 28.618 24.380 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.980 27.701 25.557 1.00 49.72 H new ATOM 620 N GLN A 40 38.316 30.323 23.461 1.00 49.53 N ATOM 621 CA GLN A 40 37.627 31.561 23.897 1.00 50.07 C ATOM 622 C GLN A 40 36.184 31.731 23.386 1.00 50.51 C ATOM 623 O GLN A 40 35.499 32.640 23.838 1.00 49.49 O ATOM 624 CB GLN A 40 38.448 32.785 23.481 1.00 49.82 C ATOM 625 CG GLN A 40 39.789 32.903 24.185 1.00 49.82 C ATOM 626 CD GLN A 40 40.575 34.119 23.732 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.242 35.255 24.079 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.622 33.887 22.949 1.00 49.38 N ATOM 0 H GLN A 40 38.811 30.389 22.572 1.00 49.53 H new ATOM 0 HA GLN A 40 37.550 31.471 24.981 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.617 32.747 22.405 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.865 33.684 23.680 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.627 32.959 25.262 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.376 32.004 23.997 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.861 32.931 22.687 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.187 34.665 22.610 1.00 49.38 H new ATOM 637 N GLN A 41 35.738 30.866 22.502 1.00 49.53 N ATOM 638 CA GLN A 41 34.426 30.940 21.906 1.00 50.07 C ATOM 639 C GLN A 41 33.312 30.198 22.614 1.00 50.51 C ATOM 640 O GLN A 41 33.364 29.023 22.942 1.00 49.49 O ATOM 641 CB GLN A 41 34.493 30.453 20.456 1.00 49.82 C ATOM 642 CG GLN A 41 35.534 31.163 19.608 1.00 49.82 C ATOM 643 CD GLN A 41 35.235 31.067 18.124 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.039 31.487 17.287 1.00 49.45 O ATOM 645 NE2 GLN A 41 34.074 30.518 17.790 1.00 49.38 N ATOM 0 H GLN A 41 36.291 30.075 22.172 1.00 49.53 H new ATOM 0 HA GLN A 41 34.160 31.994 21.987 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.706 29.384 20.453 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.514 30.584 19.995 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.581 32.212 19.899 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.515 30.732 19.807 1.00 49.82 H new ATOM 0 HE21 GLN A 41 33.440 30.184 18.516 1.00 49.38 H new ATOM 0 HE22 GLN A 41 33.816 30.430 16.807 1.00 49.38 H new ATOM 654 N ARG A 42 32.162 30.867 22.691 1.00 49.53 N ATOM 655 CA ARG A 42 30.916 30.215 23.202 1.00 50.07 C ATOM 656 C ARG A 42 29.899 30.421 22.101 1.00 50.51 C ATOM 657 O ARG A 42 29.692 31.642 21.720 1.00 49.49 O ATOM 658 CB ARG A 42 30.454 30.771 24.541 1.00 49.82 C ATOM 659 CG ARG A 42 31.457 30.625 25.674 1.00 49.82 C ATOM 660 CD ARG A 42 31.194 31.504 26.842 1.00 50.20 C ATOM 661 NE ARG A 42 29.970 31.195 27.564 1.00 49.30 N ATOM 662 CZ ARG A 42 29.453 31.951 28.553 1.00 50.64 C ATOM 663 NH1 ARG A 42 30.066 33.039 28.964 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.324 31.557 29.115 1.00 49.20 N ATOM 0 H ARG A 42 32.048 31.843 22.416 1.00 49.53 H new ATOM 0 HA ARG A 42 31.077 29.158 23.415 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.219 31.828 24.417 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.529 30.270 24.827 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.461 29.588 26.009 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.454 30.840 25.290 1.00 49.82 H new ATOM 0 HD2 ARG A 42 32.035 31.433 27.531 1.00 50.20 H new ATOM 0 HD3 ARG A 42 31.148 32.538 26.500 1.00 50.20 H new ATOM 0 HE ARG A 42 29.467 30.346 27.304 1.00 49.30 H new ATOM 0 HH11 ARG A 42 30.946 33.322 28.533 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.661 33.600 29.714 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.868 30.701 28.798 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.909 32.108 29.866 1.00 49.20 H new ATOM 678 N LEU A 43 29.333 29.362 21.526 1.00 49.53 N ATOM 679 CA LEU A 43 28.371 29.522 20.404 1.00 50.07 C ATOM 680 C LEU A 43 27.013 29.302 21.062 1.00 50.51 C ATOM 681 O LEU A 43 26.909 28.445 21.948 1.00 49.49 O ATOM 682 CB LEU A 43 28.636 28.498 19.293 1.00 49.82 C ATOM 683 CG LEU A 43 29.916 28.732 18.481 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.989 27.742 17.326 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.937 30.163 17.967 1.00 49.73 C ATOM 0 H LEU A 43 29.510 28.396 21.801 1.00 49.53 H new ATOM 0 HA LEU A 43 28.446 30.494 19.916 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.685 27.505 19.740 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.786 28.499 18.610 1.00 49.82 H new ATOM 0 HG LEU A 43 30.786 28.576 19.119 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.901 27.916 16.755 1.00 49.73 H new ATOM 0 HD12 LEU A 43 29.995 26.725 17.718 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.124 27.876 16.677 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.847 30.329 17.390 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.068 30.334 17.332 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.911 30.853 18.810 1.00 49.73 H new ATOM 697 N ILE A 44 26.046 30.132 20.682 1.00 49.53 N ATOM 698 CA ILE A 44 24.701 30.095 21.247 1.00 50.07 C ATOM 699 C ILE A 44 23.489 30.255 20.338 1.00 50.51 C ATOM 700 O ILE A 44 23.390 31.164 19.540 1.00 49.49 O ATOM 701 CB ILE A 44 24.574 31.138 22.371 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.460 30.754 23.559 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.124 31.276 22.807 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.760 31.904 24.495 1.00 49.73 C ATOM 0 H ILE A 44 26.174 30.852 19.971 1.00 49.53 H new ATOM 0 HA ILE A 44 24.645 29.056 21.573 1.00 50.07 H new ATOM 0 HB ILE A 44 24.910 32.102 21.989 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.972 29.958 24.122 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.400 30.349 23.183 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.052 32.018 23.603 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.518 31.594 21.959 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.761 30.315 23.173 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.392 31.554 25.311 1.00 49.73 H new ATOM 0 HD12 ILE A 44 26.277 32.693 23.948 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.827 32.295 24.901 1.00 49.73 H new ATOM 716 N PHE A 45 22.538 29.293 20.492 1.00 49.53 N ATOM 717 CA PHE A 45 21.280 29.327 19.729 1.00 50.07 C ATOM 718 C PHE A 45 19.997 28.983 20.509 1.00 50.51 C ATOM 719 O PHE A 45 19.872 27.933 21.139 1.00 49.49 O ATOM 720 CB PHE A 45 21.392 28.402 18.516 1.00 49.82 C ATOM 721 CG PHE A 45 20.196 28.448 17.607 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.030 29.488 16.705 1.00 49.88 C ATOM 723 CD2 PHE A 45 19.233 27.451 17.655 1.00 49.88 C ATOM 724 CE1 PHE A 45 18.930 29.530 15.870 1.00 49.88 C ATOM 725 CE2 PHE A 45 18.133 27.490 16.820 1.00 49.88 C ATOM 726 CZ PHE A 45 17.982 28.532 15.927 1.00 49.88 C ATOM 0 H PHE A 45 22.625 28.501 21.129 1.00 49.53 H new ATOM 0 HA PHE A 45 21.163 30.373 19.444 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.281 28.672 17.946 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.534 27.379 18.863 1.00 49.82 H new ATOM 0 HD1 PHE A 45 20.769 30.274 16.655 1.00 49.88 H new ATOM 0 HD2 PHE A 45 19.344 26.635 18.353 1.00 49.88 H new ATOM 0 HE1 PHE A 45 18.813 30.346 15.172 1.00 49.88 H new ATOM 0 HE2 PHE A 45 17.392 26.706 16.866 1.00 49.88 H new ATOM 0 HZ PHE A 45 17.122 28.565 15.274 1.00 49.88 H new ATOM 736 N ALA A 46 19.151 29.984 20.539 1.00 49.53 N ATOM 737 CA ALA A 46 17.821 29.900 21.173 1.00 50.07 C ATOM 738 C ALA A 46 18.130 29.898 22.663 1.00 50.51 C ATOM 739 O ALA A 46 17.308 29.498 23.501 1.00 49.49 O ATOM 740 CB ALA A 46 17.092 28.663 20.754 1.00 49.73 C ATOM 0 H ALA A 46 19.351 30.895 20.126 1.00 49.53 H new ATOM 0 HA ALA A 46 17.164 30.721 20.886 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.117 28.633 21.240 1.00 49.73 H new ATOM 0 HB2 ALA A 46 16.959 28.668 19.672 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.669 27.785 21.044 1.00 49.73 H new ATOM 746 N GLY A 47 19.333 30.295 22.960 1.00 49.53 N ATOM 747 CA GLY A 47 19.941 30.402 24.254 1.00 49.98 C ATOM 748 C GLY A 47 20.476 29.039 24.607 1.00 50.51 C ATOM 749 O GLY A 47 20.663 28.740 25.808 1.00 49.49 O ATOM 0 H GLY A 47 19.979 30.581 22.225 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.744 31.139 24.243 1.00 49.98 H new ATOM 0 HA3 GLY A 47 19.214 30.734 24.995 1.00 49.98 H new ATOM 753 N LYS A 48 20.778 28.226 23.632 1.00 49.53 N ATOM 754 CA LYS A 48 21.354 26.894 23.864 1.00 50.07 C ATOM 755 C LYS A 48 22.815 27.014 23.393 1.00 50.51 C ATOM 756 O LYS A 48 23.026 27.205 22.205 1.00 49.49 O ATOM 757 CB LYS A 48 20.605 25.817 23.078 1.00 49.82 C ATOM 758 CG LYS A 48 20.962 24.389 23.471 1.00 49.82 C ATOM 759 CD LYS A 48 20.028 23.384 22.813 1.00 49.82 C ATOM 760 CE LYS A 48 20.416 21.955 23.163 1.00 50.21 C ATOM 761 NZ LYS A 48 19.491 20.962 22.554 1.00 49.70 N ATOM 0 H LYS A 48 20.638 28.452 22.647 1.00 49.53 H new ATOM 0 HA LYS A 48 21.282 26.595 24.910 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.534 25.962 23.217 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.810 25.951 22.016 1.00 49.82 H new ATOM 0 HG2 LYS A 48 21.991 24.176 23.181 1.00 49.82 H new ATOM 0 HG3 LYS A 48 20.908 24.284 24.555 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.003 23.573 23.133 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.053 23.515 21.731 1.00 49.82 H new ATOM 0 HE2 LYS A 48 21.433 21.761 22.821 1.00 50.21 H new ATOM 0 HE3 LYS A 48 20.416 21.834 24.246 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 19.791 20.001 22.817 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 18.525 21.130 22.900 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 19.510 21.059 21.519 1.00 49.70 H new ATOM 775 N GLN A 49 23.756 26.892 24.290 1.00 49.53 N ATOM 776 CA GLN A 49 25.188 26.879 23.877 1.00 50.07 C ATOM 777 C GLN A 49 25.582 25.625 23.103 1.00 50.51 C ATOM 778 O GLN A 49 25.272 24.502 23.577 1.00 49.49 O ATOM 779 CB GLN A 49 26.092 27.022 25.104 1.00 49.82 C ATOM 780 CG GLN A 49 27.550 27.293 24.776 1.00 49.82 C ATOM 781 CD GLN A 49 28.385 27.549 26.016 1.00 50.55 C ATOM 782 OE1 GLN A 49 28.287 28.610 26.640 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.217 26.579 26.378 1.00 49.38 N ATOM 0 H GLN A 49 23.594 26.801 25.293 1.00 49.53 H new ATOM 0 HA GLN A 49 25.320 27.727 23.204 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.715 27.833 25.727 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.028 26.109 25.696 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.962 26.442 24.234 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.616 28.155 24.113 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.265 25.718 25.833 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.808 26.695 27.201 1.00 49.38 H new ATOM 792 N LEU A 50 26.217 25.781 21.966 1.00 49.53 N ATOM 793 CA LEU A 50 26.566 24.646 21.095 1.00 50.07 C ATOM 794 C LEU A 50 27.789 23.933 21.649 1.00 50.51 C ATOM 795 O LEU A 50 28.581 24.589 22.296 1.00 49.49 O ATOM 796 CB LEU A 50 26.825 25.129 19.662 1.00 49.82 C ATOM 797 CG LEU A 50 25.572 25.532 18.874 1.00 49.91 C ATOM 798 CD1 LEU A 50 24.862 26.683 19.575 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.967 25.924 17.458 1.00 49.73 C ATOM 0 H LEU A 50 26.513 26.688 21.605 1.00 49.53 H new ATOM 0 HA LEU A 50 25.730 23.946 21.070 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.502 25.983 19.700 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.340 24.338 19.116 1.00 49.82 H new ATOM 0 HG LEU A 50 24.885 24.687 18.825 1.00 49.91 H new ATOM 0 HD11 LEU A 50 23.974 26.962 19.008 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.570 26.373 20.578 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.534 27.539 19.641 1.00 49.73 H new ATOM 0 HD21 LEU A 50 25.077 26.210 16.898 1.00 49.73 H new ATOM 0 HD22 LEU A 50 26.660 26.765 17.493 1.00 49.73 H new ATOM 0 HD23 LEU A 50 26.448 25.078 16.967 1.00 49.73 H new ATOM 811 N GLU A 51 27.897 22.626 21.407 1.00 49.53 N ATOM 812 CA GLU A 51 29.032 21.851 21.955 1.00 50.07 C ATOM 813 C GLU A 51 29.916 21.293 20.874 1.00 50.51 C ATOM 814 O GLU A 51 29.477 21.200 19.730 1.00 49.49 O ATOM 815 CB GLU A 51 28.519 20.719 22.847 1.00 49.82 C ATOM 816 CG GLU A 51 28.028 21.169 24.216 1.00 49.72 C ATOM 817 CD GLU A 51 27.866 20.003 25.149 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.063 18.891 24.721 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.659 20.228 26.319 1.00 49.24 O ATOM 0 H GLU A 51 27.235 22.085 20.851 1.00 49.53 H new ATOM 0 HA GLU A 51 29.635 22.539 22.548 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.705 20.208 22.333 1.00 49.82 H new ATOM 0 HB3 GLU A 51 29.318 19.990 22.983 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.734 21.882 24.641 1.00 49.72 H new ATOM 0 HG3 GLU A 51 27.075 21.688 24.110 1.00 49.72 H new ATOM 826 N ASP A 52 31.149 20.952 21.157 1.00 49.53 N ATOM 827 CA ASP A 52 32.150 20.479 20.207 1.00 50.07 C ATOM 828 C ASP A 52 32.125 19.002 19.849 1.00 50.51 C ATOM 829 O ASP A 52 32.935 18.579 18.977 1.00 49.49 O ATOM 830 CB ASP A 52 33.548 20.841 20.713 1.00 49.72 C ATOM 831 CG ASP A 52 33.837 22.336 20.745 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.018 23.070 21.245 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.936 22.716 20.414 1.00 49.24 O ATOM 0 H ASP A 52 31.511 20.996 22.110 1.00 49.53 H new ATOM 0 HA ASP A 52 31.888 20.989 19.280 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.673 20.437 21.718 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.288 20.353 20.079 1.00 49.72 H new ATOM 838 N GLY A 53 31.344 18.214 20.553 1.00 49.53 N ATOM 839 CA GLY A 53 31.251 16.754 20.370 1.00 49.98 C ATOM 840 C GLY A 53 29.950 16.397 19.732 1.00 50.51 C ATOM 841 O GLY A 53 29.701 15.215 19.401 1.00 49.49 O ATOM 0 H GLY A 53 30.734 18.564 21.292 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.077 16.404 19.750 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.342 16.253 21.334 1.00 49.98 H new ATOM 845 N ARG A 54 29.069 17.357 19.475 1.00 49.53 N ATOM 846 CA ARG A 54 27.794 17.092 18.778 1.00 50.07 C ATOM 847 C ARG A 54 27.918 17.674 17.378 1.00 50.51 C ATOM 848 O ARG A 54 28.462 18.783 17.197 1.00 49.49 O ATOM 849 CB ARG A 54 26.588 17.640 19.526 1.00 49.82 C ATOM 850 CG ARG A 54 26.468 17.181 20.971 1.00 49.82 C ATOM 851 CD ARG A 54 26.155 15.738 21.131 1.00 50.20 C ATOM 852 NE ARG A 54 24.810 15.364 20.722 1.00 49.30 N ATOM 853 CZ ARG A 54 24.307 14.116 20.795 1.00 50.64 C ATOM 854 NH1 ARG A 54 25.042 13.114 21.223 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.060 13.921 20.402 1.00 49.20 N ATOM 0 H ARG A 54 29.206 18.333 19.736 1.00 49.53 H new ATOM 0 HA ARG A 54 27.617 16.018 18.728 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.632 18.729 19.508 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.684 17.349 18.991 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.403 17.397 21.487 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.690 17.766 21.462 1.00 49.82 H new ATOM 0 HD2 ARG A 54 26.872 15.157 20.551 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.293 15.463 22.177 1.00 50.20 H new ATOM 0 HE ARG A 54 24.205 16.098 20.354 1.00 49.30 H new ATOM 0 HH11 ARG A 54 26.009 13.275 21.506 1.00 49.20 H new ATOM 0 HH12 ARG A 54 24.646 12.175 21.272 1.00 49.20 H new ATOM 0 HH21 ARG A 54 22.506 14.704 20.055 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.652 12.987 20.446 1.00 49.20 H new ATOM 869 N THR A 55 27.346 17.000 16.411 1.00 49.53 N ATOM 870 CA THR A 55 27.311 17.445 14.999 1.00 50.07 C ATOM 871 C THR A 55 26.420 18.669 14.677 1.00 50.51 C ATOM 872 O THR A 55 25.300 18.765 15.166 1.00 49.49 O ATOM 873 CB THR A 55 26.881 16.288 14.077 1.00 50.14 C ATOM 874 OG1 THR A 55 25.483 16.028 14.253 1.00 49.34 O ATOM 875 CG2 THR A 55 27.672 15.029 14.396 1.00 49.73 C ATOM 0 H THR A 55 26.877 16.107 16.564 1.00 49.53 H new ATOM 0 HA THR A 55 28.337 17.767 14.818 1.00 50.07 H new ATOM 0 HB THR A 55 27.077 16.575 13.044 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.210 15.293 13.665 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.355 14.223 13.735 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.735 15.221 14.250 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.494 14.740 15.432 1.00 49.73 H new ATOM 883 N LEU A 56 26.918 19.516 13.799 1.00 49.53 N ATOM 884 CA LEU A 56 26.173 20.700 13.337 1.00 50.07 C ATOM 885 C LEU A 56 24.743 20.355 12.929 1.00 50.51 C ATOM 886 O LEU A 56 23.876 21.156 13.153 1.00 49.49 O ATOM 887 CB LEU A 56 26.911 21.364 12.168 1.00 49.82 C ATOM 888 CG LEU A 56 26.299 22.680 11.671 1.00 49.91 C ATOM 889 CD1 LEU A 56 26.462 23.763 12.728 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.968 23.093 10.369 1.00 49.73 C ATOM 0 H LEU A 56 27.843 19.416 13.380 1.00 49.53 H new ATOM 0 HA LEU A 56 26.114 21.397 14.173 1.00 50.07 H new ATOM 0 HB2 LEU A 56 27.941 21.552 12.470 1.00 49.82 H new ATOM 0 HB3 LEU A 56 26.946 20.661 11.336 1.00 49.82 H new ATOM 0 HG LEU A 56 25.234 22.539 11.488 1.00 49.91 H new ATOM 0 HD11 LEU A 56 26.025 24.693 12.366 1.00 49.73 H new ATOM 0 HD12 LEU A 56 25.957 23.457 13.644 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.522 23.916 12.932 1.00 49.73 H new ATOM 0 HD21 LEU A 56 26.532 24.028 10.017 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.036 23.231 10.537 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.815 22.317 9.619 1.00 49.73 H new ATOM 902 N SER A 57 24.506 19.095 12.510 1.00 49.53 N ATOM 903 CA SER A 57 23.118 18.763 12.101 1.00 50.07 C ATOM 904 C SER A 57 22.250 18.238 13.223 1.00 50.51 C ATOM 905 O SER A 57 21.032 17.955 13.011 1.00 49.49 O ATOM 906 CB SER A 57 23.149 17.760 10.964 1.00 50.05 C ATOM 907 OG SER A 57 23.875 16.609 11.297 1.00 49.34 O ATOM 0 H SER A 57 25.192 18.342 12.446 1.00 49.53 H new ATOM 0 HA SER A 57 22.662 19.700 11.782 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.129 17.481 10.699 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.591 18.225 10.083 1.00 50.05 H new ATOM 0 HG SER A 57 23.869 15.988 10.539 1.00 49.34 H new ATOM 913 N ASP A 58 22.810 18.124 14.414 1.00 49.53 N ATOM 914 CA ASP A 58 22.046 17.624 15.587 1.00 50.07 C ATOM 915 C ASP A 58 21.564 18.841 16.381 1.00 50.51 C ATOM 916 O ASP A 58 21.348 18.797 17.597 1.00 49.49 O ATOM 917 CB ASP A 58 22.914 16.715 16.462 1.00 49.72 C ATOM 918 CG ASP A 58 23.135 15.319 15.893 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.602 15.034 14.848 1.00 49.24 O ATOM 920 OD2 ASP A 58 23.954 14.608 16.423 1.00 49.24 O ATOM 0 H ASP A 58 23.781 18.364 14.613 1.00 49.53 H new ATOM 0 HA ASP A 58 21.197 17.028 15.253 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.883 17.191 16.610 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.449 16.625 17.444 1.00 49.72 H new ATOM 925 N TYR A 59 21.633 19.977 15.748 1.00 49.53 N ATOM 926 CA TYR A 59 21.211 21.257 16.311 1.00 50.07 C ATOM 927 C TYR A 59 20.014 21.791 15.558 1.00 50.51 C ATOM 928 O TYR A 59 19.482 22.838 15.978 1.00 49.49 O ATOM 929 CB TYR A 59 22.359 22.269 16.266 1.00 49.82 C ATOM 930 CG TYR A 59 23.529 21.910 17.156 1.00 50.00 C ATOM 931 CD1 TYR A 59 23.483 22.148 18.521 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.675 21.334 16.627 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.548 21.821 19.339 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.746 21.002 17.434 1.00 49.88 C ATOM 935 CZ TYR A 59 25.678 21.249 18.791 1.00 50.11 C ATOM 936 OH TYR A 59 26.742 20.922 19.600 1.00 49.46 O ATOM 0 H TYR A 59 21.993 20.056 14.797 1.00 49.53 H new ATOM 0 HA TYR A 59 20.929 21.100 17.352 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.711 22.359 15.238 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.979 23.248 16.559 1.00 49.82 H new ATOM 0 HD1 TYR A 59 22.600 22.596 18.952 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.731 21.142 15.566 1.00 49.88 H new ATOM 0 HE1 TYR A 59 24.496 22.012 20.401 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.630 20.552 17.007 1.00 49.88 H new ATOM 0 HH TYR A 59 27.573 21.243 19.193 1.00 49.46 H new ATOM 946 N ASN A 60 19.562 21.195 14.475 1.00 49.53 N ATOM 947 CA ASN A 60 18.387 21.751 13.772 1.00 50.07 C ATOM 948 C ASN A 60 18.839 23.015 13.050 1.00 50.51 C ATOM 949 O ASN A 60 18.012 23.835 12.604 1.00 49.49 O ATOM 950 CB ASN A 60 17.243 22.050 14.723 1.00 49.82 C ATOM 951 CG ASN A 60 16.628 20.823 15.335 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.116 20.294 16.340 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.607 20.321 14.688 1.00 49.38 N ATOM 0 H ASN A 60 19.962 20.353 14.060 1.00 49.53 H new ATOM 0 HA ASN A 60 18.006 21.017 13.062 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.605 22.700 15.520 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.472 22.603 14.187 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.177 19.454 15.009 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.242 20.797 13.863 1.00 49.38 H new ATOM 960 N ILE A 61 20.134 23.158 12.852 1.00 49.53 N ATOM 961 CA ILE A 61 20.678 24.312 12.076 1.00 50.07 C ATOM 962 C ILE A 61 20.465 24.166 10.572 1.00 50.51 C ATOM 963 O ILE A 61 21.185 23.289 10.008 1.00 49.49 O ATOM 964 CB ILE A 61 22.181 24.508 12.348 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.418 24.816 13.830 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.739 25.622 11.475 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.850 24.615 14.272 1.00 49.73 C ATOM 0 H ILE A 61 20.841 22.512 13.203 1.00 49.53 H new ATOM 0 HA ILE A 61 20.122 25.185 12.417 1.00 50.07 H new ATOM 0 HB ILE A 61 22.702 23.584 12.099 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.127 25.848 14.028 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.769 24.181 14.432 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.802 25.747 11.680 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.600 25.366 10.425 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.215 26.553 11.694 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.940 24.852 15.332 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.140 23.577 14.107 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.504 25.270 13.696 1.00 49.73 H new ATOM 979 N GLN A 62 19.590 24.933 9.987 1.00 49.53 N ATOM 980 CA GLN A 62 19.245 24.837 8.538 1.00 50.07 C ATOM 981 C GLN A 62 19.736 26.049 7.739 1.00 50.51 C ATOM 982 O GLN A 62 20.411 26.927 8.304 1.00 49.49 O ATOM 983 CB GLN A 62 17.732 24.687 8.361 1.00 49.82 C ATOM 984 CG GLN A 62 16.955 25.982 8.528 1.00 49.82 C ATOM 985 CD GLN A 62 15.493 25.831 8.150 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.055 24.761 7.719 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.729 26.907 8.306 1.00 49.38 N ATOM 0 H GLN A 62 19.073 25.661 10.480 1.00 49.53 H new ATOM 0 HA GLN A 62 19.754 23.955 8.149 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.532 24.281 7.369 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.363 23.959 9.084 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.027 26.315 9.563 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.409 26.757 7.911 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.133 27.772 8.666 1.00 49.38 H new ATOM 0 HE22 GLN A 62 13.738 26.868 8.066 1.00 49.38 H new ATOM 996 N LYS A 63 19.407 26.113 6.450 1.00 49.53 N ATOM 997 CA LYS A 63 19.865 27.174 5.581 1.00 50.07 C ATOM 998 C LYS A 63 19.593 28.601 6.045 1.00 50.51 C ATOM 999 O LYS A 63 18.580 28.929 6.644 1.00 49.49 O ATOM 1000 CB LYS A 63 19.275 26.982 4.182 1.00 49.82 C ATOM 1001 CG LYS A 63 19.542 28.135 3.225 1.00 49.82 C ATOM 1002 CD LYS A 63 18.753 27.975 1.933 1.00 49.82 C ATOM 1003 CE LYS A 63 19.043 29.109 0.962 1.00 50.21 C ATOM 1004 NZ LYS A 63 18.279 28.965 -0.307 1.00 49.70 N ATOM 0 H LYS A 63 18.814 25.425 5.986 1.00 49.53 H new ATOM 0 HA LYS A 63 20.951 27.080 5.592 1.00 50.07 H new ATOM 0 HB2 LYS A 63 19.681 26.067 3.752 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.198 26.841 4.271 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.274 29.077 3.703 1.00 49.82 H new ATOM 0 HG3 LYS A 63 20.607 28.184 2.999 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.004 27.022 1.467 1.00 49.82 H new ATOM 0 HD3 LYS A 63 17.687 27.949 2.157 1.00 49.82 H new ATOM 0 HE2 LYS A 63 18.792 30.061 1.430 1.00 50.21 H new ATOM 0 HE3 LYS A 63 20.110 29.134 0.742 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 18.506 29.758 -0.941 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.537 28.069 -0.768 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.260 28.967 -0.101 1.00 49.70 H new ATOM 1018 N GLU A 64 20.605 29.435 5.764 1.00 49.53 N ATOM 1019 CA GLU A 64 20.635 30.841 6.070 1.00 50.07 C ATOM 1020 C GLU A 64 20.344 31.174 7.503 1.00 50.51 C ATOM 1021 O GLU A 64 19.689 32.194 7.834 1.00 49.49 O ATOM 1022 CB GLU A 64 19.656 31.592 5.164 1.00 49.82 C ATOM 1023 CG GLU A 64 20.080 31.666 3.704 1.00 49.72 C ATOM 1024 CD GLU A 64 19.000 32.270 2.851 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.963 32.590 3.379 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.253 32.517 1.695 1.00 49.24 O ATOM 0 H GLU A 64 21.454 29.117 5.297 1.00 49.53 H new ATOM 0 HA GLU A 64 21.662 31.159 5.888 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.681 31.108 5.222 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.532 32.606 5.545 1.00 49.82 H new ATOM 0 HG2 GLU A 64 20.990 32.260 3.617 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.316 30.666 3.341 1.00 49.72 H new ATOM 1033 N SER A 65 20.936 30.386 8.387 1.00 49.53 N ATOM 1034 CA SER A 65 20.874 30.604 9.838 1.00 50.07 C ATOM 1035 C SER A 65 22.032 31.418 10.464 1.00 50.51 C ATOM 1036 O SER A 65 23.133 31.442 9.924 1.00 49.49 O ATOM 1037 CB SER A 65 20.768 29.264 10.539 1.00 50.05 C ATOM 1038 OG SER A 65 19.702 28.497 10.051 1.00 49.34 O ATOM 0 H SER A 65 21.481 29.566 8.122 1.00 49.53 H new ATOM 0 HA SER A 65 19.991 31.225 9.987 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.700 28.713 10.410 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.639 29.424 11.609 1.00 50.05 H new ATOM 0 HG SER A 65 19.904 28.199 9.140 1.00 49.34 H new ATOM 1044 N THR A 66 21.764 32.082 11.556 1.00 49.53 N ATOM 1045 CA THR A 66 22.786 32.825 12.303 1.00 50.07 C ATOM 1046 C THR A 66 23.158 32.276 13.681 1.00 50.51 C ATOM 1047 O THR A 66 22.239 32.086 14.509 1.00 49.49 O ATOM 1048 CB THR A 66 22.371 34.298 12.473 1.00 50.14 C ATOM 1049 OG1 THR A 66 22.365 34.946 11.195 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.337 35.021 13.400 1.00 49.73 C ATOM 0 H THR A 66 20.832 32.133 11.968 1.00 49.53 H new ATOM 0 HA THR A 66 23.676 32.712 11.684 1.00 50.07 H new ATOM 0 HB THR A 66 21.373 34.330 12.909 1.00 50.14 H new ATOM 0 HG1 THR A 66 22.099 35.883 11.304 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.028 36.061 13.508 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.334 34.538 14.377 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.342 34.983 12.980 1.00 49.73 H new ATOM 1058 N LEU A 67 24.428 31.910 13.882 1.00 49.53 N ATOM 1059 CA LEU A 67 24.872 31.477 15.212 1.00 50.07 C ATOM 1060 C LEU A 67 25.523 32.686 15.917 1.00 50.51 C ATOM 1061 O LEU A 67 26.304 33.341 15.209 1.00 49.49 O ATOM 1062 CB LEU A 67 25.861 30.311 15.099 1.00 49.82 C ATOM 1063 CG LEU A 67 25.254 28.985 14.623 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.347 27.936 14.469 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.198 28.522 15.616 1.00 49.73 C ATOM 0 H LEU A 67 25.151 31.904 13.162 1.00 49.53 H new ATOM 0 HA LEU A 67 24.021 31.123 15.794 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.657 30.596 14.411 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.323 30.152 16.073 1.00 49.82 H new ATOM 0 HG LEU A 67 24.781 29.130 13.652 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.906 26.998 14.131 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.079 28.278 13.737 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.839 27.780 15.429 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.768 27.580 15.277 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.656 28.380 16.595 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.413 29.274 15.689 1.00 49.73 H new ATOM 1077 N HIS A 68 25.285 32.851 17.169 1.00 49.53 N ATOM 1078 CA HIS A 68 25.930 33.974 17.891 1.00 50.07 C ATOM 1079 C HIS A 68 27.281 33.606 18.501 1.00 50.51 C ATOM 1080 O HIS A 68 27.404 32.584 19.209 1.00 49.49 O ATOM 1081 CB HIS A 68 25.001 34.507 18.987 1.00 49.92 C ATOM 1082 CG HIS A 68 23.738 35.116 18.462 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.197 36.272 18.982 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.910 34.728 17.463 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.089 36.570 18.325 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.894 35.649 17.399 1.00 49.64 N ATOM 0 H HIS A 68 24.673 32.261 17.732 1.00 49.53 H new ATOM 0 HA HIS A 68 26.116 34.747 17.145 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.747 33.691 19.664 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.537 35.253 19.574 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.027 33.857 16.835 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.452 37.422 18.514 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.114 35.626 16.742 1.00 49.64 H new ATOM 1094 N LEU A 69 28.279 34.447 18.287 1.00 49.53 N ATOM 1095 CA LEU A 69 29.599 34.251 18.874 1.00 50.07 C ATOM 1096 C LEU A 69 29.943 35.127 20.041 1.00 50.51 C ATOM 1097 O LEU A 69 30.113 36.377 19.815 1.00 49.49 O ATOM 1098 CB LEU A 69 30.670 34.409 17.787 1.00 49.82 C ATOM 1099 CG LEU A 69 32.098 34.055 18.220 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.893 33.539 17.028 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.765 35.282 18.824 1.00 49.73 C ATOM 0 H LEU A 69 28.201 35.281 17.705 1.00 49.53 H new ATOM 0 HA LEU A 69 29.572 33.241 19.283 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.399 33.781 16.938 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.659 35.441 17.436 1.00 49.82 H new ATOM 0 HG LEU A 69 32.065 33.268 18.973 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.906 33.290 17.346 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.410 32.648 16.627 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.933 34.308 16.257 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.780 35.030 19.132 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.798 36.080 18.082 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.195 35.616 19.691 1.00 49.73 H new ATOM 1113 N VAL A 70 30.019 34.613 21.225 1.00 49.53 N ATOM 1114 CA VAL A 70 30.462 35.422 22.396 1.00 50.07 C ATOM 1115 C VAL A 70 31.970 35.259 22.636 1.00 50.51 C ATOM 1116 O VAL A 70 32.512 34.160 22.378 1.00 49.49 O ATOM 1117 CB VAL A 70 29.702 35.029 23.677 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.217 35.824 24.867 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.207 35.249 23.497 1.00 49.73 C ATOM 0 H VAL A 70 29.789 33.644 21.443 1.00 49.53 H new ATOM 0 HA VAL A 70 30.241 36.464 22.163 1.00 50.07 H new ATOM 0 HB VAL A 70 29.875 33.970 23.869 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.669 35.534 25.763 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.278 35.620 25.009 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.073 36.889 24.683 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.685 34.966 24.411 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.017 36.300 23.281 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.846 34.638 22.670 1.00 49.73 H new ATOM 1129 N LEU A 71 32.631 36.302 23.080 1.00 49.53 N ATOM 1130 CA LEU A 71 34.080 36.222 23.370 1.00 50.07 C ATOM 1131 C LEU A 71 34.541 36.034 24.791 1.00 50.51 C ATOM 1132 O LEU A 71 35.440 36.748 25.278 1.00 49.49 O ATOM 1133 CB LEU A 71 34.770 37.463 22.791 1.00 49.82 C ATOM 1134 CG LEU A 71 36.297 37.493 22.944 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.927 36.381 22.117 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.825 38.853 22.512 1.00 49.73 C ATOM 0 H LEU A 71 32.212 37.216 23.253 1.00 49.53 H new ATOM 0 HA LEU A 71 34.364 35.281 22.898 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.526 37.534 21.731 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.355 38.348 23.273 1.00 49.82 H new ATOM 0 HG LEU A 71 36.561 37.331 23.989 1.00 49.91 H new ATOM 0 HD11 LEU A 71 38.010 36.411 22.232 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.552 35.416 22.459 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.670 36.518 21.067 1.00 49.73 H new ATOM 0 HD21 LEU A 71 37.909 38.874 22.621 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.562 39.031 21.469 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.383 39.630 23.136 1.00 49.73 H new ATOM 1148 N ARG A 72 34.626 34.833 25.229 1.00 49.53 N ATOM 1149 CA ARG A 72 35.120 34.490 26.579 1.00 50.07 C ATOM 1150 C ARG A 72 36.488 35.084 26.903 1.00 50.51 C ATOM 1151 O ARG A 72 37.390 34.760 26.065 1.00 49.49 O ATOM 1152 CB ARG A 72 35.110 32.987 26.817 1.00 49.82 C ATOM 1153 CG ARG A 72 35.454 32.561 28.235 1.00 49.82 C ATOM 1154 CD ARG A 72 35.379 31.096 28.471 1.00 50.20 C ATOM 1155 NE ARG A 72 35.791 30.677 29.801 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.011 30.733 30.897 1.00 50.64 C ATOM 1157 NH1 ARG A 72 33.792 31.222 30.836 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.511 30.305 32.042 1.00 49.20 N ATOM 0 H ARG A 72 34.357 34.020 24.675 1.00 49.53 H new ATOM 0 HA ARG A 72 34.416 34.954 27.269 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.122 32.601 26.567 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.817 32.521 26.131 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.462 32.903 28.470 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.777 33.063 28.927 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.354 30.766 28.301 1.00 50.20 H new ATOM 0 HD3 ARG A 72 36.003 30.590 27.735 1.00 50.20 H new ATOM 0 HE ARG A 72 36.738 30.315 29.912 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.424 31.566 29.949 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.214 31.257 31.676 1.00 49.20 H new ATOM 0 HH21 ARG A 72 36.464 29.944 32.079 1.00 49.20 H new ATOM 0 HH22 ARG A 72 34.944 30.335 32.889 1.00 49.20 H new ATOM 1172 N LEU A 73 36.690 35.717 28.011 1.00 49.53 N ATOM 1173 CA LEU A 73 38.023 36.301 28.301 1.00 50.07 C ATOM 1174 C LEU A 73 38.908 35.432 29.184 1.00 50.51 C ATOM 1175 O LEU A 73 38.418 34.680 30.042 1.00 49.49 O ATOM 1176 CB LEU A 73 37.854 37.686 28.939 1.00 49.82 C ATOM 1177 CG LEU A 73 36.978 38.666 28.150 1.00 49.91 C ATOM 1178 CD1 LEU A 73 36.815 39.964 28.929 1.00 49.73 C ATOM 1179 CD2 LEU A 73 37.607 38.929 26.790 1.00 49.73 C ATOM 0 H LEU A 73 35.987 35.859 28.737 1.00 49.53 H new ATOM 0 HA LEU A 73 38.535 36.375 27.342 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.426 37.560 29.933 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.841 38.130 29.071 1.00 49.82 H new ATOM 0 HG LEU A 73 35.990 38.231 28.001 1.00 49.91 H new ATOM 0 HD11 LEU A 73 36.191 40.654 28.360 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.343 39.755 29.889 1.00 49.73 H new ATOM 0 HD13 LEU A 73 37.794 40.414 29.096 1.00 49.73 H new ATOM 0 HD21 LEU A 73 36.984 39.626 26.229 1.00 49.73 H new ATOM 0 HD22 LEU A 73 38.600 39.358 26.925 1.00 49.73 H new ATOM 0 HD23 LEU A 73 37.689 37.992 26.240 1.00 49.73 H new ATOM 1191 N ARG A 74 40.199 35.539 28.916 1.00 49.53 N ATOM 1192 CA ARG A 74 41.220 34.774 29.651 1.00 50.07 C ATOM 1193 C ARG A 74 41.477 35.526 30.953 1.00 50.51 C ATOM 1194 O ARG A 74 42.612 35.953 31.230 1.00 49.49 O ATOM 1195 CB ARG A 74 42.493 34.560 28.845 1.00 49.82 C ATOM 1196 CG ARG A 74 42.307 33.792 27.547 1.00 49.82 C ATOM 1197 CD ARG A 74 43.418 33.953 26.574 1.00 50.20 C ATOM 1198 NE ARG A 74 44.657 33.298 26.962 1.00 49.30 N ATOM 1199 CZ ARG A 74 45.855 33.531 26.392 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.977 34.371 25.389 1.00 49.20 N ATOM 1201 NH2 ARG A 74 46.905 32.873 26.855 1.00 49.20 N ATOM 0 H ARG A 74 40.577 36.150 28.192 1.00 49.53 H new ATOM 0 HA ARG A 74 40.860 33.765 29.854 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.928 35.533 28.615 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.213 34.027 29.466 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.194 32.733 27.779 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.379 34.116 27.077 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.100 33.558 25.609 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.612 35.017 26.435 1.00 50.20 H new ATOM 0 HE ARG A 74 44.616 32.615 27.718 1.00 49.30 H new ATOM 0 HH11 ARG A 74 45.156 34.859 25.030 1.00 49.20 H new ATOM 0 HH12 ARG A 74 46.892 34.535 24.970 1.00 49.20 H new ATOM 0 HH21 ARG A 74 46.794 32.211 27.623 1.00 49.20 H new ATOM 0 HH22 ARG A 74 47.826 33.028 26.444 1.00 49.20 H new ATOM 1215 N GLY A 75 40.395 35.729 31.697 1.00 49.53 N ATOM 1216 CA GLY A 75 40.429 36.415 32.982 1.00 49.98 C ATOM 1217 C GLY A 75 39.874 37.825 32.943 1.00 50.51 C ATOM 1218 O GLY A 75 39.031 38.183 32.101 1.00 49.49 O ATOM 0 H GLY A 75 39.463 35.419 31.422 1.00 49.53 H new ATOM 0 HA2 GLY A 75 39.862 35.832 33.708 1.00 49.98 H new ATOM 0 HA3 GLY A 75 41.459 36.451 33.336 1.00 49.98 H new ATOM 1222 N GLY A 76 40.340 38.607 33.900 1.00 49.53 N ATOM 1223 CA GLY A 76 39.977 40.020 34.077 1.00 49.98 C ATOM 1224 C GLY A 76 39.651 40.154 35.573 1.00 50.51 C ATOM 1225 O GLY A 76 38.538 40.639 35.856 1.00 49.49 O ATOM 0 H GLY A 76 41.002 38.276 34.602 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.797 40.679 33.790 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.120 40.289 33.459 1.00 49.98 H new TER 1229 GLY A 76