USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 -161:sc= 0.23 USER MOD Set 1.2: A 57 SER OG : rot 180:sc=-0.00285 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.099 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0967 X(o=0.2,f=-0.0029) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.584 (180deg=0.414!) USER MOD Single : A 2 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.6!) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.0876 (180deg=-0.437) USER MOD Single : A 7 THR OG1 : rot -74:sc= 0.757 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0024) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 25:sc= 0.705 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.966 (180deg=0.885) USER MOD Single : A 31 GLN : amide:sc= -0.585 K(o=-0.58,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= -3.03 K(o=-3,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc=-0.00111 (180deg=-0.182) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.888 24.801 2.880 1.00 49.53 N ATOM 2 CA MET A 1 25.795 25.752 3.150 1.00 50.07 C ATOM 3 C MET A 1 26.335 27.060 3.776 1.00 50.51 C ATOM 4 O MET A 1 27.355 27.012 4.463 1.00 49.49 O ATOM 5 CB MET A 1 24.756 25.114 4.070 1.00 49.82 C ATOM 6 CG MET A 1 23.973 23.971 3.440 1.00 49.86 C ATOM 7 SD MET A 1 22.853 23.170 4.606 1.00 49.91 S ATOM 8 CE MET A 1 22.246 21.811 3.612 1.00 49.78 C ATOM 0 H1 MET A 1 26.507 23.961 2.399 1.00 49.53 H new ATOM 0 H2 MET A 1 27.600 25.254 2.273 1.00 49.53 H new ATOM 0 H3 MET A 1 27.329 24.515 3.777 1.00 49.53 H new ATOM 0 HA MET A 1 25.322 26.003 2.201 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.259 24.744 4.964 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.055 25.883 4.394 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.400 24.351 2.594 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.670 23.232 3.046 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.540 21.220 4.196 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.746 22.203 2.726 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.082 21.181 3.308 1.00 49.78 H new ATOM 18 N GLN A 2 25.625 28.114 3.504 1.00 49.53 N ATOM 19 CA GLN A 2 26.030 29.431 4.088 1.00 50.07 C ATOM 20 C GLN A 2 25.279 29.782 5.363 1.00 50.51 C ATOM 21 O GLN A 2 24.023 29.696 5.461 1.00 49.49 O ATOM 22 CB GLN A 2 25.830 30.548 3.059 1.00 49.82 C ATOM 23 CG GLN A 2 26.317 31.912 3.518 1.00 49.82 C ATOM 24 CD GLN A 2 27.819 31.951 3.724 1.00 50.55 C ATOM 25 OE1 GLN A 2 28.302 32.215 4.829 1.00 49.45 O ATOM 26 NE2 GLN A 2 28.569 31.694 2.658 1.00 49.38 N ATOM 0 H GLN A 2 24.794 28.129 2.913 1.00 49.53 H new ATOM 0 HA GLN A 2 27.084 29.337 4.351 1.00 50.07 H new ATOM 0 HB2 GLN A 2 26.352 30.278 2.141 1.00 49.82 H new ATOM 0 HB3 GLN A 2 24.770 30.616 2.815 1.00 49.82 H new ATOM 0 HG2 GLN A 2 26.035 32.663 2.780 1.00 49.82 H new ATOM 0 HG3 GLN A 2 25.818 32.178 4.450 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.128 31.480 1.764 1.00 49.38 H new ATOM 0 HE22 GLN A 2 29.586 31.710 2.734 1.00 49.38 H new ATOM 35 N ILE A 3 26.042 30.128 6.389 1.00 49.53 N ATOM 36 CA ILE A 3 25.445 30.632 7.640 1.00 50.07 C ATOM 37 C ILE A 3 26.212 31.928 8.038 1.00 50.51 C ATOM 38 O ILE A 3 27.395 31.960 7.744 1.00 49.49 O ATOM 39 CB ILE A 3 25.538 29.602 8.781 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.001 29.263 9.077 1.00 49.82 C ATOM 41 CG2 ILE A 3 24.758 28.345 8.427 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.212 28.580 10.410 1.00 49.73 C ATOM 0 H ILE A 3 27.061 30.075 6.393 1.00 49.53 H new ATOM 0 HA ILE A 3 24.386 30.830 7.476 1.00 50.07 H new ATOM 0 HB ILE A 3 25.098 30.038 9.678 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.382 28.619 8.285 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.589 30.180 9.052 1.00 49.82 H new ATOM 0 HG21 ILE A 3 24.834 27.627 9.244 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.711 28.600 8.265 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.169 27.905 7.518 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.273 28.372 10.548 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.863 29.231 11.212 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.653 27.645 10.432 1.00 49.73 H new ATOM 54 N PHE A 4 25.491 32.769 8.739 1.00 49.53 N ATOM 55 CA PHE A 4 26.155 34.054 9.180 1.00 50.07 C ATOM 56 C PHE A 4 26.437 34.156 10.653 1.00 50.51 C ATOM 57 O PHE A 4 25.562 33.708 11.410 1.00 49.49 O ATOM 58 CB PHE A 4 25.309 35.251 8.742 1.00 49.82 C ATOM 59 CG PHE A 4 25.219 35.416 7.252 1.00 50.00 C ATOM 60 CD1 PHE A 4 26.170 36.151 6.562 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.182 34.836 6.536 1.00 49.88 C ATOM 62 CE1 PHE A 4 26.089 36.305 5.192 1.00 49.88 C ATOM 63 CE2 PHE A 4 24.098 34.987 5.165 1.00 49.88 C ATOM 64 CZ PHE A 4 25.051 35.722 4.493 1.00 49.88 C ATOM 0 H PHE A 4 24.518 32.641 9.018 1.00 49.53 H new ATOM 0 HA PHE A 4 27.130 34.053 8.693 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.303 35.141 9.148 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.730 36.159 9.174 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.985 36.609 7.103 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.431 34.260 7.056 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.837 36.881 4.668 1.00 49.88 H new ATOM 0 HE2 PHE A 4 23.286 34.529 4.620 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.986 35.842 3.422 1.00 49.88 H new ATOM 74 N VAL A 5 27.543 34.745 11.097 1.00 49.53 N ATOM 75 CA VAL A 5 27.798 34.938 12.509 1.00 50.07 C ATOM 76 C VAL A 5 28.160 36.395 12.884 1.00 50.51 C ATOM 77 O VAL A 5 29.338 36.686 12.645 1.00 49.49 O ATOM 78 CB VAL A 5 28.923 34.009 13.002 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.108 34.146 14.505 1.00 49.73 C ATOM 80 CG2 VAL A 5 28.622 32.564 12.633 1.00 49.73 C ATOM 0 H VAL A 5 28.280 35.098 10.487 1.00 49.53 H new ATOM 0 HA VAL A 5 26.857 34.693 13.002 1.00 50.07 H new ATOM 0 HB VAL A 5 29.851 34.304 12.512 1.00 49.91 H new ATOM 0 HG11 VAL A 5 29.907 33.482 14.835 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.369 35.176 14.747 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.181 33.878 15.012 1.00 49.73 H new ATOM 0 HG21 VAL A 5 29.428 31.922 12.989 1.00 49.73 H new ATOM 0 HG22 VAL A 5 27.683 32.258 13.095 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.539 32.475 11.550 1.00 49.73 H new ATOM 90 N LYS A 6 27.215 37.136 13.350 1.00 49.53 N ATOM 91 CA LYS A 6 27.477 38.575 13.698 1.00 50.07 C ATOM 92 C LYS A 6 28.297 38.657 14.955 1.00 50.51 C ATOM 93 O LYS A 6 27.813 38.290 16.051 1.00 49.49 O ATOM 94 CB LYS A 6 26.162 39.338 13.868 1.00 49.82 C ATOM 95 CG LYS A 6 26.329 40.785 14.311 1.00 49.82 C ATOM 96 CD LYS A 6 25.016 41.549 14.211 1.00 49.82 C ATOM 97 CE LYS A 6 24.677 41.881 12.765 1.00 50.21 C ATOM 98 NZ LYS A 6 25.666 42.814 12.162 1.00 49.70 N ATOM 0 H LYS A 6 26.259 36.821 13.512 1.00 49.53 H new ATOM 0 HA LYS A 6 28.034 39.035 12.882 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.620 39.320 12.922 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.544 38.816 14.599 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.691 40.813 15.339 1.00 49.82 H new ATOM 0 HG3 LYS A 6 27.084 41.272 13.693 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.213 40.955 14.648 1.00 49.82 H new ATOM 0 HD3 LYS A 6 25.083 42.469 14.791 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.642 40.962 12.180 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.683 42.326 12.718 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 25.239 43.289 11.341 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 25.947 43.526 12.867 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 26.505 42.281 11.856 1.00 49.70 H new ATOM 112 N THR A 7 29.542 39.174 14.849 1.00 49.53 N ATOM 113 CA THR A 7 30.400 39.286 16.038 1.00 50.07 C ATOM 114 C THR A 7 29.950 40.382 17.006 1.00 50.51 C ATOM 115 O THR A 7 28.859 40.920 16.800 1.00 49.49 O ATOM 116 CB THR A 7 31.866 39.547 15.645 1.00 50.14 C ATOM 117 OG1 THR A 7 31.964 40.807 14.968 1.00 49.34 O ATOM 118 CG2 THR A 7 32.378 38.444 14.731 1.00 49.73 C ATOM 0 H THR A 7 29.960 39.509 13.981 1.00 49.53 H new ATOM 0 HA THR A 7 30.312 38.327 16.549 1.00 50.07 H new ATOM 0 HB THR A 7 32.472 39.564 16.551 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.603 40.720 14.061 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.415 38.645 14.464 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.316 37.486 15.247 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.770 38.410 13.827 1.00 49.73 H new ATOM 126 N LEU A 8 30.757 40.704 17.994 1.00 49.53 N ATOM 127 CA LEU A 8 30.372 41.724 18.996 1.00 50.07 C ATOM 128 C LEU A 8 30.917 43.058 18.530 1.00 50.51 C ATOM 129 O LEU A 8 30.169 44.055 18.512 1.00 49.49 O ATOM 130 CB LEU A 8 30.921 41.358 20.380 1.00 49.82 C ATOM 131 CG LEU A 8 29.911 40.704 21.332 1.00 49.91 C ATOM 132 CD1 LEU A 8 29.646 39.267 20.905 1.00 49.73 C ATOM 133 CD2 LEU A 8 30.445 40.755 22.755 1.00 49.73 C ATOM 0 H LEU A 8 31.678 40.290 18.140 1.00 49.53 H new ATOM 0 HA LEU A 8 29.287 41.776 19.087 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.765 40.681 20.251 1.00 49.82 H new ATOM 0 HB3 LEU A 8 31.307 42.262 20.851 1.00 49.82 H new ATOM 0 HG LEU A 8 28.969 41.250 21.293 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.928 38.811 21.587 1.00 49.73 H new ATOM 0 HD12 LEU A 8 29.242 39.257 19.893 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.578 38.702 20.929 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.727 40.290 23.430 1.00 49.73 H new ATOM 0 HD22 LEU A 8 31.392 40.218 22.808 1.00 49.73 H new ATOM 0 HD23 LEU A 8 30.600 41.793 23.049 1.00 49.73 H new ATOM 145 N THR A 9 32.198 43.102 18.118 1.00 49.53 N ATOM 146 CA THR A 9 32.692 44.447 17.666 1.00 50.07 C ATOM 147 C THR A 9 32.128 44.941 16.369 1.00 50.51 C ATOM 148 O THR A 9 32.552 45.975 15.820 1.00 49.49 O ATOM 149 CB THR A 9 34.228 44.458 17.557 1.00 50.14 C ATOM 150 OG1 THR A 9 34.661 43.349 16.757 1.00 49.34 O ATOM 151 CG2 THR A 9 34.861 44.361 18.937 1.00 49.73 C ATOM 0 H THR A 9 32.859 42.326 18.082 1.00 49.53 H new ATOM 0 HA THR A 9 32.336 45.127 18.440 1.00 50.07 H new ATOM 0 HB THR A 9 34.538 45.394 17.091 1.00 50.14 H new ATOM 0 HG1 THR A 9 35.638 43.358 16.687 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.947 44.370 18.841 1.00 49.73 H new ATOM 0 HG22 THR A 9 34.543 45.209 19.543 1.00 49.73 H new ATOM 0 HG23 THR A 9 34.547 43.434 19.417 1.00 49.73 H new ATOM 159 N GLY A 10 31.242 44.205 15.770 1.00 49.53 N ATOM 160 CA GLY A 10 30.612 44.559 14.518 1.00 49.98 C ATOM 161 C GLY A 10 31.008 43.884 13.239 1.00 50.51 C ATOM 162 O GLY A 10 30.139 43.570 12.395 1.00 49.49 O ATOM 0 H GLY A 10 30.922 43.312 16.144 1.00 49.53 H new ATOM 0 HA2 GLY A 10 29.541 44.403 14.644 1.00 49.98 H new ATOM 0 HA3 GLY A 10 30.763 45.629 14.375 1.00 49.98 H new ATOM 166 N LYS A 11 32.286 43.664 13.070 1.00 49.53 N ATOM 167 CA LYS A 11 32.809 42.924 11.930 1.00 50.07 C ATOM 168 C LYS A 11 31.891 41.705 11.686 1.00 50.51 C ATOM 169 O LYS A 11 31.648 40.991 12.653 1.00 49.49 O ATOM 170 CB LYS A 11 34.248 42.474 12.184 1.00 49.82 C ATOM 171 CG LYS A 11 34.974 41.962 10.947 1.00 49.82 C ATOM 172 CD LYS A 11 35.181 43.071 9.927 1.00 49.82 C ATOM 173 CE LYS A 11 36.075 42.615 8.783 1.00 50.21 C ATOM 174 NZ LYS A 11 35.417 41.577 7.944 1.00 49.70 N ATOM 0 H LYS A 11 33.004 43.991 13.717 1.00 49.53 H new ATOM 0 HA LYS A 11 32.822 43.565 11.048 1.00 50.07 H new ATOM 0 HB2 LYS A 11 34.810 43.311 12.600 1.00 49.82 H new ATOM 0 HB3 LYS A 11 34.242 41.688 12.939 1.00 49.82 H new ATOM 0 HG2 LYS A 11 35.939 41.546 11.236 1.00 49.82 H new ATOM 0 HG3 LYS A 11 34.400 41.153 10.495 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.216 43.389 9.532 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.626 43.938 10.415 1.00 49.82 H new ATOM 0 HE2 LYS A 11 36.335 43.472 8.162 1.00 50.21 H new ATOM 0 HE3 LYS A 11 37.007 42.219 9.186 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.052 41.305 7.166 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.206 40.742 8.527 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 34.532 41.957 7.552 1.00 49.70 H new ATOM 188 N THR A 12 31.487 41.513 10.444 1.00 49.53 N ATOM 189 CA THR A 12 30.681 40.310 10.163 1.00 50.07 C ATOM 190 C THR A 12 31.507 39.201 9.513 1.00 50.51 C ATOM 191 O THR A 12 32.341 39.559 8.677 1.00 49.49 O ATOM 192 CB THR A 12 29.482 40.637 9.253 1.00 50.14 C ATOM 193 OG1 THR A 12 29.952 40.972 7.941 1.00 49.34 O ATOM 194 CG2 THR A 12 28.689 41.806 9.817 1.00 49.73 C ATOM 0 H THR A 12 31.680 42.123 9.650 1.00 49.53 H new ATOM 0 HA THR A 12 30.320 39.957 11.129 1.00 50.07 H new ATOM 0 HB THR A 12 28.834 39.762 9.202 1.00 50.14 H new ATOM 0 HG1 THR A 12 29.188 41.178 7.363 1.00 49.34 H new ATOM 0 HG21 THR A 12 27.846 42.024 9.162 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.320 41.550 10.810 1.00 49.73 H new ATOM 0 HG23 THR A 12 29.332 42.683 9.884 1.00 49.73 H new ATOM 202 N ILE A 13 31.282 37.966 9.956 1.00 49.53 N ATOM 203 CA ILE A 13 32.095 36.897 9.303 1.00 50.07 C ATOM 204 C ILE A 13 31.178 35.904 8.645 1.00 50.51 C ATOM 205 O ILE A 13 30.022 35.742 9.081 1.00 49.49 O ATOM 206 CB ILE A 13 32.999 36.169 10.315 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.152 35.462 11.377 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.966 37.146 10.964 1.00 49.73 C ATOM 209 CD1 ILE A 13 32.944 34.535 12.270 1.00 49.73 C ATOM 0 H ILE A 13 30.624 37.680 10.681 1.00 49.53 H new ATOM 0 HA ILE A 13 32.737 37.369 8.560 1.00 50.07 H new ATOM 0 HB ILE A 13 33.579 35.416 9.782 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.659 36.213 11.994 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.367 34.891 10.881 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.597 36.614 11.676 1.00 49.73 H new ATOM 0 HG22 ILE A 13 34.591 37.604 10.197 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.405 37.922 11.485 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.277 34.071 12.996 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.415 33.761 11.664 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.712 35.103 12.795 1.00 49.73 H new ATOM 221 N THR A 14 31.589 35.327 7.538 1.00 49.53 N ATOM 222 CA THR A 14 30.686 34.310 6.921 1.00 50.07 C ATOM 223 C THR A 14 31.399 32.985 6.839 1.00 50.51 C ATOM 224 O THR A 14 32.453 32.874 6.160 1.00 49.49 O ATOM 225 CB THR A 14 30.230 34.732 5.511 1.00 50.14 C ATOM 226 OG1 THR A 14 31.374 34.881 4.661 1.00 49.34 O ATOM 227 CG2 THR A 14 29.470 36.048 5.569 1.00 49.73 C ATOM 0 H THR A 14 32.470 35.507 7.056 1.00 49.53 H new ATOM 0 HA THR A 14 29.801 34.224 7.551 1.00 50.07 H new ATOM 0 HB THR A 14 29.571 33.961 5.112 1.00 50.14 H new ATOM 0 HG1 THR A 14 32.106 34.323 4.997 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.155 36.331 4.565 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.592 35.934 6.205 1.00 49.73 H new ATOM 0 HG23 THR A 14 30.117 36.824 5.979 1.00 49.73 H new ATOM 235 N LEU A 15 30.799 31.915 7.335 1.00 49.53 N ATOM 236 CA LEU A 15 31.415 30.605 7.316 1.00 50.07 C ATOM 237 C LEU A 15 30.789 29.737 6.219 1.00 50.51 C ATOM 238 O LEU A 15 29.613 29.967 5.971 1.00 49.49 O ATOM 239 CB LEU A 15 31.270 29.929 8.686 1.00 49.82 C ATOM 240 CG LEU A 15 31.755 30.761 9.880 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.434 30.041 11.182 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.251 31.006 9.754 1.00 49.73 C ATOM 0 H LEU A 15 29.872 31.934 7.761 1.00 49.53 H new ATOM 0 HA LEU A 15 32.477 30.722 7.099 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.220 29.679 8.840 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.823 28.990 8.670 1.00 49.82 H new ATOM 0 HG LEU A 15 31.241 31.722 9.887 1.00 49.91 H new ATOM 0 HD11 LEU A 15 31.782 30.639 12.024 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.357 29.895 11.261 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.933 29.072 11.195 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.596 31.597 10.602 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.776 30.051 9.740 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.455 31.546 8.829 1.00 49.73 H new ATOM 254 N GLU A 16 31.598 28.862 5.670 1.00 49.53 N ATOM 255 CA GLU A 16 30.999 27.896 4.690 1.00 50.07 C ATOM 256 C GLU A 16 30.952 26.574 5.424 1.00 50.51 C ATOM 257 O GLU A 16 32.003 25.975 5.647 1.00 49.49 O ATOM 258 CB GLU A 16 31.845 27.794 3.419 1.00 49.82 C ATOM 259 CG GLU A 16 31.243 26.914 2.333 1.00 49.72 C ATOM 260 CD GLU A 16 32.250 26.603 1.261 1.00 50.62 C ATOM 261 OE1 GLU A 16 33.259 26.018 1.572 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.962 26.850 0.114 1.00 49.24 O ATOM 0 H GLU A 16 32.599 28.773 5.844 1.00 49.53 H new ATOM 0 HA GLU A 16 30.010 28.215 4.360 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.996 28.795 3.016 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.829 27.404 3.682 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.880 25.986 2.774 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.382 27.415 1.891 1.00 49.72 H new ATOM 269 N VAL A 17 29.737 26.266 5.854 1.00 49.53 N ATOM 270 CA VAL A 17 29.473 25.056 6.625 1.00 50.07 C ATOM 271 C VAL A 17 28.849 23.934 5.782 1.00 50.51 C ATOM 272 O VAL A 17 28.361 24.152 4.649 1.00 49.49 O ATOM 273 CB VAL A 17 28.551 25.348 7.823 1.00 49.91 C ATOM 274 CG1 VAL A 17 29.220 26.316 8.786 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.220 25.908 7.347 1.00 49.73 C ATOM 0 H VAL A 17 28.912 26.841 5.681 1.00 49.53 H new ATOM 0 HA VAL A 17 30.446 24.715 6.978 1.00 50.07 H new ATOM 0 HB VAL A 17 28.363 24.412 8.349 1.00 49.91 H new ATOM 0 HG11 VAL A 17 28.554 26.511 9.627 1.00 49.73 H new ATOM 0 HG12 VAL A 17 30.149 25.880 9.153 1.00 49.73 H new ATOM 0 HG13 VAL A 17 29.437 27.251 8.270 1.00 49.73 H new ATOM 0 HG21 VAL A 17 26.581 26.108 8.207 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.390 26.834 6.798 1.00 49.73 H new ATOM 0 HG23 VAL A 17 26.733 25.184 6.694 1.00 49.73 H new ATOM 285 N GLU A 18 28.915 22.767 6.383 1.00 49.53 N ATOM 286 CA GLU A 18 28.298 21.548 5.857 1.00 50.07 C ATOM 287 C GLU A 18 27.602 20.728 6.933 1.00 50.51 C ATOM 288 O GLU A 18 27.962 20.771 8.097 1.00 49.49 O ATOM 289 CB GLU A 18 29.345 20.688 5.146 1.00 49.82 C ATOM 290 CG GLU A 18 30.692 20.626 5.853 1.00 49.72 C ATOM 291 CD GLU A 18 31.667 19.769 5.094 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.396 18.605 4.921 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.630 20.302 4.592 1.00 49.24 O ATOM 0 H GLU A 18 29.405 22.625 7.266 1.00 49.53 H new ATOM 0 HA GLU A 18 27.534 21.864 5.147 1.00 50.07 H new ATOM 0 HB2 GLU A 18 28.956 19.675 5.042 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.494 21.077 4.139 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.096 21.633 5.960 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.560 20.227 6.859 1.00 49.72 H new ATOM 300 N PRO A 19 26.575 19.990 6.551 1.00 49.71 N ATOM 301 CA PRO A 19 25.847 19.117 7.471 1.00 50.02 C ATOM 302 C PRO A 19 26.765 18.145 8.172 1.00 50.51 C ATOM 303 O PRO A 19 26.450 17.615 9.247 1.00 49.49 O ATOM 304 CB PRO A 19 24.847 18.375 6.557 1.00 49.82 C ATOM 305 CG PRO A 19 24.609 19.361 5.460 1.00 49.82 C ATOM 306 CD PRO A 19 26.026 19.918 5.174 1.00 50.00 C ATOM 0 HA PRO A 19 25.362 19.675 8.272 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.261 17.441 6.178 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.926 18.125 7.084 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.177 18.887 4.579 1.00 49.82 H new ATOM 0 HG3 PRO A 19 23.921 20.148 5.768 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.608 19.258 4.530 1.00 50.00 H new ATOM 0 HD3 PRO A 19 25.997 20.893 4.688 1.00 50.00 H new ATOM 314 N SER A 20 27.901 17.847 7.564 1.00 49.53 N ATOM 315 CA SER A 20 28.828 16.868 8.153 1.00 50.07 C ATOM 316 C SER A 20 29.937 17.564 8.906 1.00 50.51 C ATOM 317 O SER A 20 31.038 16.995 8.988 1.00 49.49 O ATOM 318 CB SER A 20 29.402 15.975 7.071 1.00 50.05 C ATOM 319 OG SER A 20 28.418 15.183 6.464 1.00 49.34 O ATOM 0 H SER A 20 28.208 18.254 6.681 1.00 49.53 H new ATOM 0 HA SER A 20 28.273 16.251 8.860 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.889 16.590 6.314 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.170 15.332 7.502 1.00 50.05 H new ATOM 0 HG SER A 20 28.829 14.624 5.772 1.00 49.34 H new ATOM 325 N ASP A 21 29.695 18.814 9.311 1.00 49.53 N ATOM 326 CA ASP A 21 30.785 19.521 10.034 1.00 50.07 C ATOM 327 C ASP A 21 30.629 19.381 11.526 1.00 50.51 C ATOM 328 O ASP A 21 29.624 19.833 12.107 1.00 49.49 O ATOM 329 CB ASP A 21 30.815 21.002 9.645 1.00 49.72 C ATOM 330 CG ASP A 21 32.121 21.712 9.974 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.369 21.953 11.132 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.929 21.867 9.089 1.00 49.24 O ATOM 0 H ASP A 21 28.829 19.335 9.172 1.00 49.53 H new ATOM 0 HA ASP A 21 31.730 19.060 9.745 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.629 21.088 8.575 1.00 49.72 H new ATOM 0 HB3 ASP A 21 29.999 21.515 10.153 1.00 49.72 H new ATOM 337 N THR A 22 31.675 18.897 12.172 1.00 49.53 N ATOM 338 CA THR A 22 31.713 18.787 13.612 1.00 50.07 C ATOM 339 C THR A 22 32.118 20.133 14.258 1.00 50.51 C ATOM 340 O THR A 22 33.069 20.771 13.798 1.00 49.49 O ATOM 341 CB THR A 22 32.693 17.692 14.071 1.00 50.14 C ATOM 342 OG1 THR A 22 33.988 17.938 13.506 1.00 49.34 O ATOM 343 CG2 THR A 22 32.204 16.321 13.632 1.00 49.73 C ATOM 0 H THR A 22 32.522 18.569 11.708 1.00 49.53 H new ATOM 0 HA THR A 22 30.708 18.516 13.936 1.00 50.07 H new ATOM 0 HB THR A 22 32.754 17.713 15.159 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.611 17.241 13.800 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.909 15.559 13.965 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.225 16.126 14.071 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.127 16.293 12.545 1.00 49.73 H new ATOM 351 N ILE A 23 31.358 20.462 15.304 1.00 49.53 N ATOM 352 CA ILE A 23 31.649 21.653 16.098 1.00 50.07 C ATOM 353 C ILE A 23 33.119 21.997 16.345 1.00 50.51 C ATOM 354 O ILE A 23 33.508 23.167 16.504 1.00 49.49 O ATOM 355 CB ILE A 23 30.945 21.574 17.464 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.439 21.795 17.303 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.536 22.594 18.426 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.657 21.631 18.586 1.00 49.73 C ATOM 0 H ILE A 23 30.547 19.928 15.617 1.00 49.53 H new ATOM 0 HA ILE A 23 31.269 22.455 15.466 1.00 50.07 H new ATOM 0 HB ILE A 23 31.104 20.578 17.879 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.268 22.797 16.910 1.00 49.82 H new ATOM 0 HG13 ILE A 23 29.055 21.093 16.563 1.00 49.82 H new ATOM 0 HG21 ILE A 23 31.027 22.525 19.387 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.598 22.392 18.563 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.407 23.596 18.018 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.598 21.803 18.391 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.796 20.620 18.970 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.012 22.351 19.323 1.00 49.73 H new ATOM 370 N GLU A 24 33.953 20.985 16.401 1.00 49.53 N ATOM 371 CA GLU A 24 35.425 21.225 16.574 1.00 50.07 C ATOM 372 C GLU A 24 36.024 21.961 15.402 1.00 50.51 C ATOM 373 O GLU A 24 37.057 22.662 15.533 1.00 49.49 O ATOM 374 CB GLU A 24 36.158 19.898 16.786 1.00 49.82 C ATOM 375 CG GLU A 24 35.903 19.248 18.138 1.00 49.72 C ATOM 376 CD GLU A 24 36.784 18.047 18.342 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.500 17.698 17.434 1.00 49.24 O ATOM 378 OE2 GLU A 24 36.827 17.545 19.440 1.00 49.24 O ATOM 0 H GLU A 24 33.680 20.004 16.335 1.00 49.53 H new ATOM 0 HA GLU A 24 35.547 21.855 17.455 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.861 19.203 16.001 1.00 49.82 H new ATOM 0 HB3 GLU A 24 37.229 20.067 16.674 1.00 49.82 H new ATOM 0 HG2 GLU A 24 36.083 19.973 18.932 1.00 49.72 H new ATOM 0 HG3 GLU A 24 34.857 18.950 18.209 1.00 49.72 H new ATOM 385 N ASN A 25 35.429 21.796 14.231 1.00 49.53 N ATOM 386 CA ASN A 25 35.874 22.424 12.981 1.00 50.07 C ATOM 387 C ASN A 25 35.296 23.827 12.796 1.00 50.51 C ATOM 388 O ASN A 25 35.730 24.585 11.904 1.00 49.49 O ATOM 389 CB ASN A 25 35.534 21.561 11.780 1.00 49.82 C ATOM 390 CG ASN A 25 36.444 20.376 11.611 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.649 20.521 11.372 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.860 19.205 11.653 1.00 49.38 N ATOM 0 H ASN A 25 34.603 21.209 14.113 1.00 49.53 H new ATOM 0 HA ASN A 25 36.957 22.518 13.054 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.507 21.209 11.876 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.578 22.173 10.879 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.403 18.358 11.484 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.862 19.140 11.855 1.00 49.38 H new ATOM 399 N VAL A 26 34.304 24.118 13.626 1.00 49.53 N ATOM 400 CA VAL A 26 33.669 25.431 13.593 1.00 50.07 C ATOM 401 C VAL A 26 34.543 26.458 14.304 1.00 50.51 C ATOM 402 O VAL A 26 34.885 27.506 13.746 1.00 49.49 O ATOM 403 CB VAL A 26 32.276 25.405 14.251 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.723 26.816 14.381 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.324 24.532 13.450 1.00 49.73 C ATOM 0 H VAL A 26 33.925 23.475 14.321 1.00 49.53 H new ATOM 0 HA VAL A 26 33.550 25.709 12.546 1.00 50.07 H new ATOM 0 HB VAL A 26 32.375 24.979 15.250 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.739 26.779 14.848 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.394 27.415 14.997 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.639 27.266 13.392 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.345 24.526 13.930 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.230 24.929 12.439 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.713 23.515 13.406 1.00 49.73 H new ATOM 415 N LYS A 27 34.935 26.133 15.531 1.00 49.53 N ATOM 416 CA LYS A 27 35.778 27.043 16.320 1.00 50.07 C ATOM 417 C LYS A 27 37.061 27.323 15.556 1.00 50.51 C ATOM 418 O LYS A 27 37.748 28.327 15.871 1.00 49.49 O ATOM 419 CB LYS A 27 36.089 26.444 17.691 1.00 49.82 C ATOM 420 CG LYS A 27 34.831 26.635 18.612 1.00 49.82 C ATOM 421 CD LYS A 27 35.194 26.177 20.011 1.00 49.82 C ATOM 422 CE LYS A 27 34.008 26.358 20.958 1.00 50.21 C ATOM 423 NZ LYS A 27 34.448 25.871 22.307 1.00 49.70 N ATOM 0 H LYS A 27 34.691 25.261 16.001 1.00 49.53 H new ATOM 0 HA LYS A 27 35.241 27.978 16.481 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.333 25.386 17.596 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.958 26.933 18.130 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.523 27.680 18.622 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.989 26.058 18.230 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.494 25.129 19.991 1.00 49.82 H new ATOM 0 HD3 LYS A 27 36.049 26.746 20.376 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.708 27.405 21.005 1.00 50.21 H new ATOM 0 HE3 LYS A 27 33.144 25.794 20.607 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 33.667 25.976 22.986 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.718 24.869 22.243 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 35.264 26.430 22.629 1.00 49.70 H new ATOM 437 N ALA A 28 37.453 26.442 14.660 1.00 49.53 N ATOM 438 CA ALA A 28 38.641 26.653 13.823 1.00 50.07 C ATOM 439 C ALA A 28 38.198 27.413 12.586 1.00 50.51 C ATOM 440 O ALA A 28 38.960 28.295 12.061 1.00 49.49 O ATOM 441 CB ALA A 28 39.295 25.309 13.448 1.00 49.73 C ATOM 0 H ALA A 28 36.969 25.562 14.483 1.00 49.53 H new ATOM 0 HA ALA A 28 39.393 27.226 14.366 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.173 25.492 12.828 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.595 24.784 14.355 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.581 24.699 12.895 1.00 49.73 H new ATOM 447 N LYS A 29 37.001 27.171 12.076 1.00 49.53 N ATOM 448 CA LYS A 29 36.477 27.938 10.928 1.00 50.07 C ATOM 449 C LYS A 29 36.617 29.425 11.302 1.00 50.51 C ATOM 450 O LYS A 29 37.012 30.300 10.491 1.00 49.49 O ATOM 451 CB LYS A 29 35.017 27.580 10.643 1.00 49.82 C ATOM 452 CG LYS A 29 34.831 26.355 9.758 1.00 49.82 C ATOM 453 CD LYS A 29 33.358 26.082 9.492 1.00 49.82 C ATOM 454 CE LYS A 29 33.167 24.810 8.679 1.00 50.21 C ATOM 455 NZ LYS A 29 33.728 24.938 7.307 1.00 49.70 N ATOM 0 H LYS A 29 36.366 26.455 12.429 1.00 49.53 H new ATOM 0 HA LYS A 29 37.031 27.706 10.019 1.00 50.07 H new ATOM 0 HB2 LYS A 29 34.506 27.410 11.590 1.00 49.82 H new ATOM 0 HB3 LYS A 29 34.532 28.433 10.168 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.352 26.505 8.812 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.283 25.486 10.236 1.00 49.82 H new ATOM 0 HD2 LYS A 29 32.826 25.993 10.439 1.00 49.82 H new ATOM 0 HD3 LYS A 29 32.921 26.926 8.958 1.00 49.82 H new ATOM 0 HE2 LYS A 29 33.648 23.976 9.191 1.00 50.21 H new ATOM 0 HE3 LYS A 29 32.104 24.576 8.616 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 33.547 24.063 6.775 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 33.276 25.738 6.820 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 34.753 25.102 7.365 1.00 49.70 H new ATOM 469 N ILE A 30 36.356 29.726 12.574 1.00 49.53 N ATOM 470 CA ILE A 30 36.466 31.124 13.028 1.00 50.07 C ATOM 471 C ILE A 30 37.944 31.394 13.342 1.00 50.51 C ATOM 472 O ILE A 30 38.407 32.550 13.198 1.00 49.49 O ATOM 473 CB ILE A 30 35.611 31.395 14.279 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.126 31.181 13.969 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.852 32.806 14.794 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.242 31.163 15.195 1.00 49.73 C ATOM 0 H ILE A 30 36.077 29.054 13.289 1.00 49.53 H new ATOM 0 HA ILE A 30 36.098 31.784 12.243 1.00 50.07 H new ATOM 0 HB ILE A 30 35.905 30.691 15.058 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.787 31.972 13.300 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.008 30.239 13.434 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.239 32.980 15.679 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.904 32.924 15.052 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.585 33.526 14.021 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.206 31.007 14.894 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.553 30.354 15.856 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.328 32.114 15.720 1.00 49.73 H new ATOM 488 N GLN A 31 38.668 30.417 13.824 1.00 49.53 N ATOM 489 CA GLN A 31 40.113 30.679 14.117 1.00 50.07 C ATOM 490 C GLN A 31 40.926 31.088 12.878 1.00 50.51 C ATOM 491 O GLN A 31 41.681 32.084 12.798 1.00 49.49 O ATOM 492 CB GLN A 31 40.752 29.443 14.756 1.00 49.82 C ATOM 493 CG GLN A 31 41.998 29.739 15.573 1.00 49.82 C ATOM 494 CD GLN A 31 43.232 29.911 14.707 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.395 29.225 13.694 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.108 30.826 15.102 1.00 49.38 N ATOM 0 H GLN A 31 38.336 29.474 14.024 1.00 49.53 H new ATOM 0 HA GLN A 31 40.135 31.523 14.806 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.017 28.958 15.398 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.007 28.732 13.970 1.00 49.82 H new ATOM 0 HG2 GLN A 31 41.839 30.645 16.157 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.165 28.928 16.282 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.931 31.370 15.947 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.958 30.985 14.561 1.00 49.38 H new ATOM 505 N ASP A 32 40.835 30.236 11.885 1.00 49.53 N ATOM 506 CA ASP A 32 41.544 30.490 10.610 1.00 50.07 C ATOM 507 C ASP A 32 41.247 31.762 9.843 1.00 50.51 C ATOM 508 O ASP A 32 42.056 32.285 9.040 1.00 49.49 O ATOM 509 CB ASP A 32 41.335 29.300 9.671 1.00 49.72 C ATOM 510 CG ASP A 32 42.018 28.016 10.123 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.054 28.102 10.740 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.426 26.972 9.987 1.00 49.24 O ATOM 0 H ASP A 32 40.294 29.372 11.912 1.00 49.53 H new ATOM 0 HA ASP A 32 42.574 30.629 10.939 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.266 29.113 9.573 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.705 29.565 8.680 1.00 49.72 H new ATOM 517 N LYS A 33 40.041 32.330 10.032 1.00 49.53 N ATOM 518 CA LYS A 33 39.733 33.521 9.196 1.00 50.07 C ATOM 519 C LYS A 33 39.717 34.803 9.954 1.00 50.51 C ATOM 520 O LYS A 33 40.087 35.851 9.320 1.00 49.49 O ATOM 521 CB LYS A 33 38.392 33.330 8.486 1.00 49.82 C ATOM 522 CG LYS A 33 37.929 34.537 7.680 1.00 49.82 C ATOM 523 CD LYS A 33 36.505 34.352 7.175 1.00 49.82 C ATOM 524 CE LYS A 33 36.019 35.584 6.427 1.00 50.21 C ATOM 525 NZ LYS A 33 36.608 35.678 5.064 1.00 49.70 N ATOM 0 H LYS A 33 39.321 32.027 10.688 1.00 49.53 H new ATOM 0 HA LYS A 33 40.545 33.598 8.472 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.467 32.471 7.820 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.632 33.092 9.230 1.00 49.82 H new ATOM 0 HG2 LYS A 33 37.984 35.433 8.299 1.00 49.82 H new ATOM 0 HG3 LYS A 33 38.600 34.691 6.835 1.00 49.82 H new ATOM 0 HD2 LYS A 33 36.460 33.484 6.518 1.00 49.82 H new ATOM 0 HD3 LYS A 33 35.842 34.150 8.016 1.00 49.82 H new ATOM 0 HE2 LYS A 33 34.932 35.556 6.351 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.276 36.478 6.995 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 36.250 36.532 4.589 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 37.644 35.731 5.136 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 36.342 34.838 4.512 1.00 49.70 H new ATOM 539 N GLU A 34 39.437 34.874 11.225 1.00 49.53 N ATOM 540 CA GLU A 34 39.410 36.089 12.006 1.00 50.07 C ATOM 541 C GLU A 34 40.556 36.204 12.981 1.00 50.51 C ATOM 542 O GLU A 34 40.929 37.320 13.354 1.00 49.49 O ATOM 543 CB GLU A 34 38.082 36.204 12.757 1.00 49.82 C ATOM 544 CG GLU A 34 37.851 37.552 13.424 1.00 49.72 C ATOM 545 CD GLU A 34 37.721 38.650 12.404 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.551 38.345 11.248 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.679 39.794 12.794 1.00 49.24 O ATOM 0 H GLU A 34 39.209 34.047 11.777 1.00 49.53 H new ATOM 0 HA GLU A 34 39.517 36.910 11.297 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.267 36.013 12.059 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.040 35.424 13.517 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.948 37.509 14.033 1.00 49.72 H new ATOM 0 HG3 GLU A 34 38.679 37.774 14.097 1.00 49.72 H new ATOM 554 N GLY A 35 41.068 35.082 13.460 1.00 49.53 N ATOM 555 CA GLY A 35 42.208 35.058 14.339 1.00 49.98 C ATOM 556 C GLY A 35 41.792 35.085 15.756 1.00 50.51 C ATOM 557 O GLY A 35 42.444 35.765 16.591 1.00 49.49 O ATOM 0 H GLY A 35 40.695 34.158 13.243 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.799 34.162 14.148 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.850 35.914 14.130 1.00 49.98 H new ATOM 561 N ILE A 36 40.757 34.311 16.123 1.00 49.53 N ATOM 562 CA ILE A 36 40.330 34.317 17.531 1.00 50.07 C ATOM 563 C ILE A 36 40.515 32.910 18.073 1.00 50.51 C ATOM 564 O ILE A 36 39.971 31.939 17.516 1.00 49.49 O ATOM 565 CB ILE A 36 38.861 34.748 17.690 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.694 36.223 17.319 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.383 34.495 19.111 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.253 36.670 17.224 1.00 49.73 C ATOM 0 H ILE A 36 40.224 33.703 15.501 1.00 49.53 H new ATOM 0 HA ILE A 36 40.932 35.039 18.083 1.00 50.07 H new ATOM 0 HB ILE A 36 38.250 34.152 17.012 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.206 36.835 18.062 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.185 36.405 16.363 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.342 34.806 19.206 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.467 33.432 19.339 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.997 35.065 19.808 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.217 37.726 16.957 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.740 36.085 16.460 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.762 36.521 18.186 1.00 49.73 H new ATOM 580 N PRO A 37 41.255 32.777 19.168 1.00 49.71 N ATOM 581 CA PRO A 37 41.491 31.481 19.827 1.00 50.02 C ATOM 582 C PRO A 37 40.180 30.820 20.209 1.00 50.51 C ATOM 583 O PRO A 37 39.297 31.524 20.766 1.00 49.49 O ATOM 584 CB PRO A 37 42.242 31.949 21.112 1.00 49.82 C ATOM 585 CG PRO A 37 42.985 33.169 20.655 1.00 49.82 C ATOM 586 CD PRO A 37 41.922 33.917 19.863 1.00 50.00 C ATOM 0 HA PRO A 37 42.022 30.753 19.213 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.549 32.180 21.921 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.920 31.181 21.483 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.356 33.757 21.494 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.847 32.913 20.039 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.237 34.470 20.506 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.353 34.635 19.165 1.00 50.00 H new ATOM 594 N PRO A 38 40.033 29.536 19.993 1.00 49.71 N ATOM 595 CA PRO A 38 38.772 28.858 20.334 1.00 50.02 C ATOM 596 C PRO A 38 38.384 29.004 21.781 1.00 50.51 C ATOM 597 O PRO A 38 37.179 29.055 22.147 1.00 49.49 O ATOM 598 CB PRO A 38 39.002 27.420 19.874 1.00 49.82 C ATOM 599 CG PRO A 38 39.997 27.583 18.727 1.00 49.82 C ATOM 600 CD PRO A 38 40.981 28.607 19.328 1.00 50.00 C ATOM 0 HA PRO A 38 37.907 29.301 19.840 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.406 26.800 20.674 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.077 26.949 19.542 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.486 26.644 18.470 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.521 27.953 17.819 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.676 28.150 20.032 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.581 29.103 18.565 1.00 50.00 H new ATOM 608 N ASP A 39 39.343 29.086 22.671 1.00 49.53 N ATOM 609 CA ASP A 39 39.039 29.176 24.125 1.00 50.07 C ATOM 610 C ASP A 39 38.251 30.450 24.403 1.00 50.51 C ATOM 611 O ASP A 39 37.477 30.570 25.393 1.00 49.49 O ATOM 612 CB ASP A 39 40.327 29.155 24.952 1.00 49.72 C ATOM 613 CG ASP A 39 41.214 27.943 24.703 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.701 26.849 24.691 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.360 28.129 24.372 1.00 49.24 O ATOM 0 H ASP A 39 40.337 29.094 22.443 1.00 49.53 H new ATOM 0 HA ASP A 39 38.440 28.312 24.413 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.898 30.058 24.736 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.066 29.188 26.010 1.00 49.72 H new ATOM 620 N GLN A 40 38.333 31.408 23.494 1.00 49.53 N ATOM 621 CA GLN A 40 37.572 32.666 23.681 1.00 50.07 C ATOM 622 C GLN A 40 36.207 32.669 22.966 1.00 50.51 C ATOM 623 O GLN A 40 35.536 33.694 22.976 1.00 49.49 O ATOM 624 CB GLN A 40 38.399 33.860 23.198 1.00 49.82 C ATOM 625 CG GLN A 40 39.718 34.040 23.930 1.00 49.82 C ATOM 626 CD GLN A 40 40.607 35.079 23.272 1.00 50.55 C ATOM 627 OE1 GLN A 40 41.727 35.333 23.724 1.00 49.45 O ATOM 628 NE2 GLN A 40 40.110 35.689 22.202 1.00 49.38 N ATOM 0 H GLN A 40 38.893 31.359 22.643 1.00 49.53 H new ATOM 0 HA GLN A 40 37.374 32.745 24.750 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.600 33.741 22.133 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.806 34.768 23.311 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.521 34.334 24.961 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.244 33.086 23.966 1.00 49.82 H new ATOM 0 HE21 GLN A 40 39.179 35.447 21.863 1.00 49.38 H new ATOM 0 HE22 GLN A 40 40.660 36.400 21.719 1.00 49.38 H new ATOM 637 N GLN A 41 35.799 31.548 22.414 1.00 49.53 N ATOM 638 CA GLN A 41 34.567 31.427 21.672 1.00 50.07 C ATOM 639 C GLN A 41 33.609 30.481 22.365 1.00 50.51 C ATOM 640 O GLN A 41 33.767 29.272 22.442 1.00 49.49 O ATOM 641 CB GLN A 41 34.844 30.933 20.249 1.00 49.82 C ATOM 642 CG GLN A 41 35.909 31.727 19.511 1.00 49.82 C ATOM 643 CD GLN A 41 36.392 31.021 18.259 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.863 29.974 17.876 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.405 31.588 17.615 1.00 49.38 N ATOM 0 H GLN A 41 36.327 30.677 22.471 1.00 49.53 H new ATOM 0 HA GLN A 41 34.108 32.414 21.623 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.151 29.888 20.292 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.917 30.970 19.677 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.509 32.704 19.242 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.755 31.901 20.176 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.812 32.454 17.967 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.776 31.157 16.768 1.00 49.38 H new ATOM 654 N ARG A 42 32.454 31.033 22.731 1.00 49.53 N ATOM 655 CA ARG A 42 31.331 30.203 23.268 1.00 50.07 C ATOM 656 C ARG A 42 30.271 30.111 22.192 1.00 50.51 C ATOM 657 O ARG A 42 30.071 31.175 21.481 1.00 49.49 O ATOM 658 CB ARG A 42 30.774 30.742 24.577 1.00 49.82 C ATOM 659 CG ARG A 42 31.765 30.769 25.731 1.00 49.82 C ATOM 660 CD ARG A 42 31.155 31.059 27.054 1.00 50.20 C ATOM 661 NE ARG A 42 30.257 30.026 27.544 1.00 49.30 N ATOM 662 CZ ARG A 42 30.649 28.931 28.222 1.00 50.64 C ATOM 663 NH1 ARG A 42 31.921 28.700 28.460 1.00 49.20 N ATOM 664 NH2 ARG A 42 29.720 28.078 28.621 1.00 49.20 N ATOM 0 H ARG A 42 32.254 32.032 22.675 1.00 49.53 H new ATOM 0 HA ARG A 42 31.702 29.208 23.514 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.406 31.754 24.409 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.916 30.135 24.868 1.00 49.82 H new ATOM 0 HG2 ARG A 42 32.272 29.806 25.781 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.527 31.520 25.523 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.952 31.205 27.783 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.606 31.999 26.989 1.00 50.20 H new ATOM 0 HE ARG A 42 29.260 30.139 27.361 1.00 49.30 H new ATOM 0 HH11 ARG A 42 32.629 29.356 28.129 1.00 49.20 H new ATOM 0 HH12 ARG A 42 32.200 27.865 28.975 1.00 49.20 H new ATOM 0 HH21 ARG A 42 28.738 28.259 28.413 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.986 27.239 29.137 1.00 49.20 H new ATOM 678 N LEU A 43 29.662 28.948 21.969 1.00 49.53 N ATOM 679 CA LEU A 43 28.658 28.805 20.885 1.00 50.07 C ATOM 680 C LEU A 43 27.232 28.499 21.331 1.00 50.51 C ATOM 681 O LEU A 43 26.977 27.378 21.792 1.00 49.49 O ATOM 682 CB LEU A 43 29.124 27.728 19.896 1.00 49.82 C ATOM 683 CG LEU A 43 30.455 28.022 19.191 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.963 26.769 18.491 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.261 29.155 18.194 1.00 49.73 C ATOM 0 H LEU A 43 29.833 28.098 22.506 1.00 49.53 H new ATOM 0 HA LEU A 43 28.603 29.791 20.423 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.215 26.782 20.430 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.352 27.594 19.139 1.00 49.82 H new ATOM 0 HG LEU A 43 31.198 28.326 19.928 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.908 26.988 17.994 1.00 49.73 H new ATOM 0 HD12 LEU A 43 31.114 25.978 19.225 1.00 49.73 H new ATOM 0 HD13 LEU A 43 30.231 26.443 17.752 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.206 29.364 17.693 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.515 28.865 17.455 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.923 30.048 18.720 1.00 49.73 H new ATOM 697 N ILE A 44 26.370 29.507 21.244 1.00 49.53 N ATOM 698 CA ILE A 44 24.981 29.403 21.676 1.00 50.07 C ATOM 699 C ILE A 44 24.021 29.433 20.493 1.00 50.51 C ATOM 700 O ILE A 44 24.071 30.293 19.637 1.00 49.49 O ATOM 701 CB ILE A 44 24.609 30.533 22.654 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.472 30.453 23.915 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.132 30.464 23.009 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.158 31.521 24.938 1.00 49.73 C ATOM 0 H ILE A 44 26.617 30.423 20.870 1.00 49.53 H new ATOM 0 HA ILE A 44 24.887 28.444 22.185 1.00 50.07 H new ATOM 0 HB ILE A 44 24.800 31.490 22.168 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.339 29.473 24.374 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.521 30.532 23.631 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.886 31.270 23.701 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.535 30.569 22.103 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.915 29.504 23.478 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.810 31.399 25.803 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.319 32.505 24.498 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.118 31.430 25.252 1.00 49.73 H new ATOM 716 N PHE A 45 23.095 28.438 20.492 1.00 49.53 N ATOM 717 CA PHE A 45 22.060 28.350 19.449 1.00 50.07 C ATOM 718 C PHE A 45 20.698 27.806 19.918 1.00 50.51 C ATOM 719 O PHE A 45 20.591 26.761 20.561 1.00 49.49 O ATOM 720 CB PHE A 45 22.570 27.502 18.284 1.00 49.82 C ATOM 721 CG PHE A 45 21.625 27.442 17.117 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.308 28.589 16.404 1.00 49.88 C ATOM 723 CD2 PHE A 45 21.051 26.240 16.733 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.439 28.535 15.332 1.00 49.88 C ATOM 725 CE2 PHE A 45 20.182 26.184 15.659 1.00 49.88 C ATOM 726 CZ PHE A 45 19.876 27.333 14.959 1.00 49.88 C ATOM 0 H PHE A 45 23.050 27.700 21.194 1.00 49.53 H new ATOM 0 HA PHE A 45 21.875 29.380 19.144 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.525 27.904 17.946 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.758 26.489 18.639 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.745 29.534 16.690 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.285 25.338 17.279 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.200 29.435 14.785 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.743 25.241 15.368 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.197 27.291 14.120 1.00 49.88 H new ATOM 736 N ALA A 46 19.711 28.615 19.620 1.00 49.53 N ATOM 737 CA ALA A 46 18.295 28.306 19.907 1.00 50.07 C ATOM 738 C ALA A 46 18.154 28.175 21.416 1.00 50.51 C ATOM 739 O ALA A 46 17.320 27.415 21.931 1.00 49.49 O ATOM 740 CB ALA A 46 17.871 27.051 19.212 1.00 49.73 C ATOM 0 H ALA A 46 19.849 29.519 19.167 1.00 49.53 H new ATOM 0 HA ALA A 46 17.648 29.101 19.537 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.825 26.845 19.439 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.992 27.173 18.136 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.487 26.220 19.554 1.00 49.73 H new ATOM 746 N GLY A 47 19.011 28.878 22.096 1.00 49.53 N ATOM 747 CA GLY A 47 19.155 28.972 23.520 1.00 49.98 C ATOM 748 C GLY A 47 19.590 27.661 24.121 1.00 50.51 C ATOM 749 O GLY A 47 19.278 27.389 25.301 1.00 49.49 O ATOM 0 H GLY A 47 19.698 29.460 21.617 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.885 29.744 23.762 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.207 29.279 23.963 1.00 49.98 H new ATOM 753 N LYS A 48 20.332 26.869 23.395 1.00 49.53 N ATOM 754 CA LYS A 48 20.852 25.592 23.901 1.00 50.07 C ATOM 755 C LYS A 48 22.384 25.744 23.901 1.00 50.51 C ATOM 756 O LYS A 48 22.916 26.238 22.917 1.00 49.49 O ATOM 757 CB LYS A 48 20.413 24.422 23.017 1.00 49.82 C ATOM 758 CG LYS A 48 18.906 24.288 22.853 1.00 49.82 C ATOM 759 CD LYS A 48 18.554 23.334 21.723 1.00 49.82 C ATOM 760 CE LYS A 48 17.049 23.230 21.533 1.00 50.21 C ATOM 761 NZ LYS A 48 16.690 22.316 20.415 1.00 49.70 N ATOM 0 H LYS A 48 20.603 27.076 22.434 1.00 49.53 H new ATOM 0 HA LYS A 48 20.469 25.372 24.897 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.864 24.538 22.032 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.804 23.497 23.440 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.468 23.929 23.784 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.472 25.268 22.653 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.016 23.678 20.798 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.964 22.347 21.937 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.591 22.872 22.455 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.639 24.221 21.337 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.655 22.274 20.320 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 17.105 22.671 19.530 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.058 21.364 20.613 1.00 49.70 H new ATOM 775 N GLN A 49 23.038 25.325 24.950 1.00 49.53 N ATOM 776 CA GLN A 49 24.529 25.335 24.957 1.00 50.07 C ATOM 777 C GLN A 49 25.092 24.244 24.051 1.00 50.51 C ATOM 778 O GLN A 49 24.820 23.044 24.316 1.00 49.49 O ATOM 779 CB GLN A 49 25.059 25.149 26.381 1.00 49.82 C ATOM 780 CG GLN A 49 24.872 26.361 27.278 1.00 49.82 C ATOM 781 CD GLN A 49 25.681 26.264 28.558 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.902 26.445 28.553 1.00 49.45 O ATOM 783 NE2 GLN A 49 25.004 25.974 29.663 1.00 49.38 N ATOM 0 H GLN A 49 22.603 24.976 25.804 1.00 49.53 H new ATOM 0 HA GLN A 49 24.856 26.303 24.576 1.00 50.07 H new ATOM 0 HB2 GLN A 49 24.557 24.294 26.835 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.121 24.907 26.333 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.163 27.260 26.735 1.00 49.82 H new ATOM 0 HG3 GLN A 49 23.816 26.466 27.526 1.00 49.82 H new ATOM 0 HE21 GLN A 49 23.995 25.832 29.620 1.00 49.38 H new ATOM 0 HE22 GLN A 49 25.493 25.893 30.554 1.00 49.38 H new ATOM 792 N LEU A 50 25.754 24.614 22.982 1.00 49.53 N ATOM 793 CA LEU A 50 26.263 23.649 21.994 1.00 50.07 C ATOM 794 C LEU A 50 27.498 22.914 22.489 1.00 50.51 C ATOM 795 O LEU A 50 28.530 23.548 22.592 1.00 49.49 O ATOM 796 CB LEU A 50 26.568 24.362 20.671 1.00 49.82 C ATOM 797 CG LEU A 50 25.336 24.826 19.882 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.763 25.404 18.540 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.386 23.655 19.686 1.00 49.73 C ATOM 0 H LEU A 50 25.963 25.587 22.758 1.00 49.53 H new ATOM 0 HA LEU A 50 25.484 22.903 21.837 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.194 25.229 20.880 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.152 23.691 20.041 1.00 49.82 H new ATOM 0 HG LEU A 50 24.820 25.606 20.441 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.882 25.730 17.988 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.424 26.255 18.704 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.289 24.641 17.966 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.512 23.986 19.126 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.893 22.864 19.134 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.072 23.275 20.658 1.00 49.73 H new ATOM 811 N GLU A 51 27.385 21.604 22.705 1.00 49.53 N ATOM 812 CA GLU A 51 28.527 20.828 23.234 1.00 50.07 C ATOM 813 C GLU A 51 29.362 20.317 22.092 1.00 50.51 C ATOM 814 O GLU A 51 28.823 19.666 21.201 1.00 49.49 O ATOM 815 CB GLU A 51 28.036 19.663 24.098 1.00 49.82 C ATOM 816 CG GLU A 51 29.147 18.845 24.741 1.00 49.72 C ATOM 817 CD GLU A 51 28.602 17.898 25.773 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.414 17.905 25.989 1.00 49.24 O ATOM 819 OE2 GLU A 51 29.354 17.090 26.264 1.00 49.24 O ATOM 0 H GLU A 51 26.540 21.060 22.530 1.00 49.53 H new ATOM 0 HA GLU A 51 29.136 21.480 23.860 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.390 20.056 24.883 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.425 19.003 23.483 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.678 18.283 23.973 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.872 19.514 25.205 1.00 49.72 H new ATOM 826 N ASP A 52 30.647 20.571 22.064 1.00 49.53 N ATOM 827 CA ASP A 52 31.570 20.222 20.989 1.00 50.07 C ATOM 828 C ASP A 52 31.360 18.795 20.515 1.00 50.51 C ATOM 829 O ASP A 52 31.558 18.529 19.296 1.00 49.49 O ATOM 830 CB ASP A 52 33.019 20.417 21.444 1.00 49.72 C ATOM 831 CG ASP A 52 33.362 19.732 22.760 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.474 19.187 23.373 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.525 19.622 23.064 1.00 49.24 O ATOM 0 H ASP A 52 31.113 21.055 22.831 1.00 49.53 H new ATOM 0 HA ASP A 52 31.366 20.888 20.151 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.685 20.040 20.668 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.216 21.485 21.542 1.00 49.72 H new ATOM 838 N GLY A 53 31.096 17.880 21.421 1.00 49.53 N ATOM 839 CA GLY A 53 30.925 16.445 21.132 1.00 49.98 C ATOM 840 C GLY A 53 29.731 16.274 20.253 1.00 50.51 C ATOM 841 O GLY A 53 29.500 15.178 19.691 1.00 49.49 O ATOM 0 H GLY A 53 30.988 18.104 22.410 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.815 16.049 20.642 1.00 49.98 H new ATOM 0 HA3 GLY A 53 30.796 15.886 22.058 1.00 49.98 H new ATOM 845 N ARG A 54 28.921 17.306 20.051 1.00 49.53 N ATOM 846 CA ARG A 54 27.764 17.235 19.135 1.00 50.07 C ATOM 847 C ARG A 54 28.010 17.727 17.717 1.00 50.51 C ATOM 848 O ARG A 54 28.981 18.470 17.461 1.00 49.49 O ATOM 849 CB ARG A 54 26.542 17.919 19.732 1.00 49.82 C ATOM 850 CG ARG A 54 26.017 17.287 21.012 1.00 49.82 C ATOM 851 CD ARG A 54 25.267 16.021 20.806 1.00 50.20 C ATOM 852 NE ARG A 54 24.055 16.160 20.015 1.00 49.30 N ATOM 853 CZ ARG A 54 22.855 16.521 20.511 1.00 50.64 C ATOM 854 NH1 ARG A 54 22.693 16.743 21.797 1.00 49.20 N ATOM 855 NH2 ARG A 54 21.838 16.622 19.673 1.00 49.20 N ATOM 0 H ARG A 54 29.036 18.211 20.507 1.00 49.53 H new ATOM 0 HA ARG A 54 27.579 16.166 19.031 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.789 18.961 19.933 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.744 17.918 18.990 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.857 17.093 21.679 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.368 18.002 21.517 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.923 15.300 20.318 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.005 15.606 21.779 1.00 50.20 H new ATOM 0 HE ARG A 54 24.117 15.971 19.015 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.482 16.643 22.435 1.00 49.20 H new ATOM 0 HH12 ARG A 54 21.778 17.016 22.156 1.00 49.20 H new ATOM 0 HH21 ARG A 54 21.974 16.429 18.681 1.00 49.20 H new ATOM 0 HH22 ARG A 54 20.917 16.893 20.019 1.00 49.20 H new ATOM 869 N THR A 55 27.106 17.410 16.822 1.00 49.53 N ATOM 870 CA THR A 55 27.147 17.853 15.411 1.00 50.07 C ATOM 871 C THR A 55 26.185 19.056 15.255 1.00 50.51 C ATOM 872 O THR A 55 25.353 19.299 16.121 1.00 49.49 O ATOM 873 CB THR A 55 26.732 16.731 14.441 1.00 50.14 C ATOM 874 OG1 THR A 55 25.448 16.219 14.821 1.00 49.34 O ATOM 875 CG2 THR A 55 27.751 15.601 14.466 1.00 49.73 C ATOM 0 H THR A 55 26.298 16.827 17.038 1.00 49.53 H new ATOM 0 HA THR A 55 28.171 18.133 15.162 1.00 50.07 H new ATOM 0 HB THR A 55 26.684 17.142 13.433 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.317 15.334 14.420 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.442 14.817 13.775 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.727 15.984 14.167 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.815 15.191 15.474 1.00 49.73 H new ATOM 883 N LEU A 56 26.316 19.745 14.140 1.00 49.53 N ATOM 884 CA LEU A 56 25.440 20.883 13.809 1.00 50.07 C ATOM 885 C LEU A 56 24.234 20.241 13.126 1.00 50.51 C ATOM 886 O LEU A 56 23.135 20.603 13.447 1.00 49.49 O ATOM 887 CB LEU A 56 26.148 21.880 12.884 1.00 49.82 C ATOM 888 CG LEU A 56 26.800 23.075 13.590 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.481 22.616 14.872 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.801 23.735 12.653 1.00 49.73 C ATOM 0 H LEU A 56 27.023 19.545 13.433 1.00 49.53 H new ATOM 0 HA LEU A 56 25.156 21.461 14.689 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.915 21.348 12.322 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.425 22.256 12.160 1.00 49.82 H new ATOM 0 HG LEU A 56 26.034 23.804 13.854 1.00 49.91 H new ATOM 0 HD11 LEU A 56 27.941 23.472 15.366 1.00 49.73 H new ATOM 0 HD12 LEU A 56 26.742 22.168 15.536 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.248 21.880 14.633 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.264 24.584 13.155 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.570 23.014 12.376 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.287 24.080 11.756 1.00 49.73 H new ATOM 902 N SER A 57 24.474 19.219 12.280 1.00 49.53 N ATOM 903 CA SER A 57 23.305 18.604 11.605 1.00 50.07 C ATOM 904 C SER A 57 22.205 18.173 12.551 1.00 50.51 C ATOM 905 O SER A 57 21.013 18.566 12.370 1.00 49.49 O ATOM 906 CB SER A 57 23.759 17.421 10.773 1.00 50.05 C ATOM 907 OG SER A 57 24.463 16.479 11.536 1.00 49.34 O ATOM 0 H SER A 57 25.388 18.824 12.057 1.00 49.53 H new ATOM 0 HA SER A 57 22.875 19.380 10.972 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.891 16.943 10.319 1.00 50.05 H new ATOM 0 HB3 SER A 57 24.392 17.773 9.958 1.00 50.05 H new ATOM 0 HG SER A 57 24.736 15.732 10.963 1.00 49.34 H new ATOM 913 N ASP A 58 22.549 17.386 13.555 1.00 49.53 N ATOM 914 CA ASP A 58 21.550 16.908 14.547 1.00 50.07 C ATOM 915 C ASP A 58 20.515 17.870 15.138 1.00 50.51 C ATOM 916 O ASP A 58 19.433 17.483 15.592 1.00 49.49 O ATOM 917 CB ASP A 58 22.284 16.228 15.704 1.00 49.72 C ATOM 918 CG ASP A 58 22.654 14.773 15.447 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.635 14.538 14.782 1.00 49.24 O ATOM 920 OD2 ASP A 58 22.050 13.914 16.044 1.00 49.24 O ATOM 0 H ASP A 58 23.500 17.056 13.721 1.00 49.53 H new ATOM 0 HA ASP A 58 20.933 16.253 13.931 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.193 16.788 15.921 1.00 49.72 H new ATOM 0 HB3 ASP A 58 21.658 16.279 16.595 1.00 49.72 H new ATOM 925 N TYR A 59 20.890 19.115 15.198 1.00 49.53 N ATOM 926 CA TYR A 59 20.056 20.200 15.712 1.00 50.07 C ATOM 927 C TYR A 59 19.108 20.665 14.629 1.00 50.51 C ATOM 928 O TYR A 59 18.498 21.737 14.812 1.00 49.49 O ATOM 929 CB TYR A 59 20.921 21.365 16.199 1.00 49.82 C ATOM 930 CG TYR A 59 21.604 21.109 17.524 1.00 50.00 C ATOM 931 CD1 TYR A 59 20.863 20.904 18.677 1.00 49.88 C ATOM 932 CD2 TYR A 59 22.988 21.076 17.617 1.00 49.88 C ATOM 933 CE1 TYR A 59 21.481 20.671 19.891 1.00 49.88 C ATOM 934 CE2 TYR A 59 23.617 20.842 18.825 1.00 49.88 C ATOM 935 CZ TYR A 59 22.859 20.641 19.960 1.00 50.11 C ATOM 936 OH TYR A 59 23.480 20.410 21.166 1.00 49.46 O ATOM 0 H TYR A 59 21.809 19.428 14.885 1.00 49.53 H new ATOM 0 HA TYR A 59 19.480 19.831 16.560 1.00 50.07 H new ATOM 0 HB2 TYR A 59 21.679 21.581 15.446 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.298 22.255 16.289 1.00 49.82 H new ATOM 0 HD1 TYR A 59 19.784 20.927 18.626 1.00 49.88 H new ATOM 0 HD2 TYR A 59 23.584 21.236 16.730 1.00 49.88 H new ATOM 0 HE1 TYR A 59 20.889 20.513 20.780 1.00 49.88 H new ATOM 0 HE2 TYR A 59 24.695 20.817 18.880 1.00 49.88 H new ATOM 0 HH TYR A 59 24.452 20.420 21.041 1.00 49.46 H new ATOM 946 N ASN A 60 18.924 19.964 13.530 1.00 49.53 N ATOM 947 CA ASN A 60 17.986 20.455 12.499 1.00 50.07 C ATOM 948 C ASN A 60 18.467 21.811 11.998 1.00 50.51 C ATOM 949 O ASN A 60 17.664 22.660 11.560 1.00 49.49 O ATOM 950 CB ASN A 60 16.567 20.553 13.028 1.00 49.82 C ATOM 951 CG ASN A 60 15.919 19.218 13.271 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.574 18.251 13.677 1.00 49.45 O ATOM 953 ND2 ASN A 60 14.653 19.138 12.947 1.00 49.38 N ATOM 0 H ASN A 60 19.386 19.080 13.316 1.00 49.53 H new ATOM 0 HA ASN A 60 17.968 19.741 11.676 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.574 21.118 13.960 1.00 49.82 H new ATOM 0 HB3 ASN A 60 15.962 21.117 12.318 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.162 18.247 13.025 1.00 49.38 H new ATOM 0 HD22 ASN A 60 14.158 19.966 12.617 1.00 49.38 H new ATOM 960 N ILE A 61 19.768 22.013 11.978 1.00 49.53 N ATOM 961 CA ILE A 61 20.352 23.269 11.420 1.00 50.07 C ATOM 962 C ILE A 61 20.453 23.265 9.898 1.00 50.51 C ATOM 963 O ILE A 61 20.839 22.172 9.387 1.00 49.49 O ATOM 964 CB ILE A 61 21.748 23.544 12.009 1.00 49.91 C ATOM 965 CG1 ILE A 61 21.657 23.762 13.521 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.384 24.747 11.331 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.992 24.019 14.182 1.00 49.73 C ATOM 0 H ILE A 61 20.455 21.347 12.331 1.00 49.53 H new ATOM 0 HA ILE A 61 19.660 24.060 11.708 1.00 50.07 H new ATOM 0 HB ILE A 61 22.379 22.674 11.825 1.00 49.91 H new ATOM 0 HG12 ILE A 61 20.996 24.606 13.718 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.199 22.885 13.978 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.370 24.927 11.759 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.482 24.553 10.263 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.756 25.625 11.484 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.846 24.164 15.252 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.650 23.165 14.018 1.00 49.73 H new ATOM 0 HD13 ILE A 61 23.444 24.913 13.753 1.00 49.73 H new ATOM 979 N GLN A 62 20.041 24.312 9.240 1.00 49.53 N ATOM 980 CA GLN A 62 20.027 24.398 7.750 1.00 50.07 C ATOM 981 C GLN A 62 20.588 25.743 7.282 1.00 50.51 C ATOM 982 O GLN A 62 21.320 26.402 8.041 1.00 49.49 O ATOM 983 CB GLN A 62 18.603 24.214 7.215 1.00 49.82 C ATOM 984 CG GLN A 62 18.069 22.798 7.340 1.00 49.82 C ATOM 985 CD GLN A 62 16.698 22.640 6.712 1.00 50.55 C ATOM 986 OE1 GLN A 62 16.563 22.590 5.486 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.670 22.562 7.550 1.00 49.38 N ATOM 0 H GLN A 62 19.696 25.155 9.699 1.00 49.53 H new ATOM 0 HA GLN A 62 20.657 23.599 7.359 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.936 24.890 7.749 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.580 24.507 6.165 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.765 22.107 6.865 1.00 49.82 H new ATOM 0 HG3 GLN A 62 18.017 22.524 8.394 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.828 22.608 8.557 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.723 22.456 7.187 1.00 49.38 H new ATOM 996 N LYS A 63 20.269 26.153 6.056 1.00 49.53 N ATOM 997 CA LYS A 63 20.791 27.373 5.481 1.00 50.07 C ATOM 998 C LYS A 63 20.196 28.577 6.206 1.00 50.51 C ATOM 999 O LYS A 63 19.061 28.595 6.653 1.00 49.49 O ATOM 1000 CB LYS A 63 20.478 27.443 3.985 1.00 49.82 C ATOM 1001 CG LYS A 63 21.273 28.497 3.225 1.00 49.82 C ATOM 1002 CD LYS A 63 21.016 28.410 1.728 1.00 49.82 C ATOM 1003 CE LYS A 63 21.874 29.406 0.960 1.00 50.21 C ATOM 1004 NZ LYS A 63 21.511 30.813 1.277 1.00 49.70 N ATOM 0 H LYS A 63 19.639 25.641 5.438 1.00 49.53 H new ATOM 0 HA LYS A 63 21.874 27.383 5.600 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.672 26.467 3.539 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.415 27.646 3.858 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.003 29.490 3.585 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.337 28.365 3.422 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.228 27.399 1.379 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.962 28.603 1.526 1.00 49.82 H new ATOM 0 HE2 LYS A 63 22.924 29.240 1.199 1.00 50.21 H new ATOM 0 HE3 LYS A 63 21.759 29.234 -0.110 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 22.008 31.455 0.627 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 20.484 30.939 1.171 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.787 31.031 2.256 1.00 49.70 H new ATOM 1018 N GLU A 64 21.029 29.629 6.220 1.00 49.53 N ATOM 1019 CA GLU A 64 20.743 30.907 6.820 1.00 50.07 C ATOM 1020 C GLU A 64 20.185 30.817 8.209 1.00 50.51 C ATOM 1021 O GLU A 64 19.070 31.309 8.515 1.00 49.49 O ATOM 1022 CB GLU A 64 19.782 31.699 5.931 1.00 49.82 C ATOM 1023 CG GLU A 64 20.320 32.007 4.541 1.00 49.72 C ATOM 1024 CD GLU A 64 19.336 32.815 3.741 1.00 50.62 C ATOM 1025 OE1 GLU A 64 18.275 33.094 4.246 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.686 33.248 2.668 1.00 49.24 O ATOM 0 H GLU A 64 21.954 29.594 5.791 1.00 49.53 H new ATOM 0 HA GLU A 64 21.701 31.420 6.905 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.853 31.138 5.831 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.536 32.637 6.428 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.259 32.554 4.625 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.539 31.076 4.019 1.00 49.72 H new ATOM 1033 N SER A 65 21.017 30.321 9.110 1.00 49.53 N ATOM 1034 CA SER A 65 20.712 30.251 10.545 1.00 50.07 C ATOM 1035 C SER A 65 21.822 31.013 11.305 1.00 50.51 C ATOM 1036 O SER A 65 23.001 30.728 11.126 1.00 49.49 O ATOM 1037 CB SER A 65 20.628 28.808 11.004 1.00 50.05 C ATOM 1038 OG SER A 65 19.573 28.121 10.390 1.00 49.34 O ATOM 0 H SER A 65 21.936 29.949 8.871 1.00 49.53 H new ATOM 0 HA SER A 65 19.744 30.708 10.748 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.568 28.302 10.782 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.498 28.779 12.086 1.00 50.05 H new ATOM 0 HG SER A 65 19.555 27.195 10.711 1.00 49.34 H new ATOM 1044 N THR A 66 21.439 31.964 12.117 1.00 49.53 N ATOM 1045 CA THR A 66 22.375 32.709 12.965 1.00 50.07 C ATOM 1046 C THR A 66 22.802 32.053 14.277 1.00 50.51 C ATOM 1047 O THR A 66 21.924 31.501 14.978 1.00 49.49 O ATOM 1048 CB THR A 66 21.814 34.104 13.295 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.623 34.843 12.081 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.769 34.863 14.202 1.00 49.73 C ATOM 0 H THR A 66 20.467 32.256 12.220 1.00 49.53 H new ATOM 0 HA THR A 66 23.274 32.748 12.350 1.00 50.07 H new ATOM 0 HB THR A 66 20.861 33.984 13.810 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.264 35.730 12.291 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.355 35.847 14.424 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.907 34.309 15.131 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.731 34.978 13.702 1.00 49.73 H new ATOM 1058 N LEU A 67 24.104 32.061 14.582 1.00 49.53 N ATOM 1059 CA LEU A 67 24.566 31.544 15.876 1.00 50.07 C ATOM 1060 C LEU A 67 25.029 32.631 16.870 1.00 50.51 C ATOM 1061 O LEU A 67 25.696 33.547 16.363 1.00 49.49 O ATOM 1062 CB LEU A 67 25.695 30.531 15.655 1.00 49.82 C ATOM 1063 CG LEU A 67 25.254 29.062 15.610 1.00 49.91 C ATOM 1064 CD1 LEU A 67 24.649 28.740 14.250 1.00 49.73 C ATOM 1065 CD2 LEU A 67 26.447 28.163 15.894 1.00 49.73 C ATOM 0 H LEU A 67 24.841 32.410 13.969 1.00 49.53 H new ATOM 0 HA LEU A 67 23.699 31.069 16.335 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.199 30.771 14.719 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.429 30.649 16.452 1.00 49.82 H new ATOM 0 HG LEU A 67 24.494 28.888 16.372 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.339 27.695 14.228 1.00 49.73 H new ATOM 0 HD12 LEU A 67 23.783 29.379 14.076 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.391 28.915 13.471 1.00 49.73 H new ATOM 0 HD21 LEU A 67 26.132 27.120 15.862 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.218 28.333 15.142 1.00 49.73 H new ATOM 0 HD23 LEU A 67 26.847 28.391 16.882 1.00 49.73 H new ATOM 1077 N HIS A 68 24.644 32.531 18.091 1.00 49.53 N ATOM 1078 CA HIS A 68 25.107 33.529 19.086 1.00 50.07 C ATOM 1079 C HIS A 68 26.577 33.431 19.484 1.00 50.51 C ATOM 1080 O HIS A 68 27.090 32.328 19.767 1.00 49.49 O ATOM 1081 CB HIS A 68 24.240 33.454 20.346 1.00 49.92 C ATOM 1082 CG HIS A 68 22.809 33.828 20.115 1.00 50.22 C ATOM 1083 ND1 HIS A 68 21.780 33.360 20.906 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.234 34.623 19.182 1.00 49.95 C ATOM 1085 CE1 HIS A 68 20.634 33.853 20.470 1.00 50.25 C ATOM 1086 NE2 HIS A 68 20.882 34.622 19.425 1.00 49.64 N ATOM 0 H HIS A 68 24.028 31.804 18.454 1.00 49.53 H new ATOM 0 HA HIS A 68 25.003 34.490 18.581 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.282 32.441 20.745 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.661 34.113 21.105 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.743 35.158 18.394 1.00 49.95 H new ATOM 0 HE1 HIS A 68 19.660 33.660 20.896 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.183 35.132 18.886 1.00 49.64 H new ATOM 1094 N LEU A 69 27.265 34.561 19.497 1.00 49.53 N ATOM 1095 CA LEU A 69 28.658 34.617 19.930 1.00 50.07 C ATOM 1096 C LEU A 69 28.896 35.208 21.287 1.00 50.51 C ATOM 1097 O LEU A 69 28.877 36.486 21.391 1.00 49.49 O ATOM 1098 CB LEU A 69 29.488 35.377 18.889 1.00 49.82 C ATOM 1099 CG LEU A 69 30.926 35.704 19.311 1.00 49.91 C ATOM 1100 CD1 LEU A 69 31.656 34.427 19.706 1.00 49.73 C ATOM 1101 CD2 LEU A 69 31.646 36.405 18.168 1.00 49.73 C ATOM 0 H LEU A 69 26.880 35.461 19.211 1.00 49.53 H new ATOM 0 HA LEU A 69 28.969 33.576 20.016 1.00 50.07 H new ATOM 0 HB2 LEU A 69 29.521 34.787 17.973 1.00 49.82 H new ATOM 0 HB3 LEU A 69 28.976 36.309 18.650 1.00 49.82 H new ATOM 0 HG LEU A 69 30.909 36.369 20.174 1.00 49.91 H new ATOM 0 HD11 LEU A 69 32.676 34.669 20.004 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.137 33.954 20.539 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.678 33.743 18.857 1.00 49.73 H new ATOM 0 HD21 LEU A 69 32.668 36.637 18.469 1.00 49.73 H new ATOM 0 HD22 LEU A 69 31.664 35.753 17.295 1.00 49.73 H new ATOM 0 HD23 LEU A 69 31.123 37.328 17.920 1.00 49.73 H new ATOM 1113 N VAL A 70 29.030 34.427 22.309 1.00 49.53 N ATOM 1114 CA VAL A 70 29.375 34.963 23.656 1.00 50.07 C ATOM 1115 C VAL A 70 30.887 34.780 23.863 1.00 50.51 C ATOM 1116 O VAL A 70 31.393 33.650 23.678 1.00 49.49 O ATOM 1117 CB VAL A 70 28.607 34.243 24.781 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.140 34.662 26.143 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.118 34.534 24.679 1.00 49.73 C ATOM 0 H VAL A 70 28.913 33.414 22.273 1.00 49.53 H new ATOM 0 HA VAL A 70 29.093 36.015 23.699 1.00 50.07 H new ATOM 0 HB VAL A 70 28.757 33.169 24.668 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.586 34.144 26.926 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.197 34.405 26.215 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.020 35.738 26.265 1.00 49.73 H new ATOM 0 HG21 VAL A 70 26.591 34.018 25.481 1.00 49.73 H new ATOM 0 HG22 VAL A 70 26.950 35.607 24.767 1.00 49.73 H new ATOM 0 HG23 VAL A 70 26.744 34.186 23.716 1.00 49.73 H new ATOM 1129 N LEU A 71 31.594 35.849 24.144 1.00 49.53 N ATOM 1130 CA LEU A 71 33.051 35.756 24.391 1.00 50.07 C ATOM 1131 C LEU A 71 33.408 35.137 25.717 1.00 50.51 C ATOM 1132 O LEU A 71 32.615 35.169 26.679 1.00 49.49 O ATOM 1133 CB LEU A 71 33.686 37.148 24.281 1.00 49.82 C ATOM 1134 CG LEU A 71 33.362 37.912 22.990 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.148 39.216 22.944 1.00 49.73 C ATOM 1136 CD2 LEU A 71 33.689 37.041 21.787 1.00 49.73 C ATOM 0 H LEU A 71 31.209 36.791 24.211 1.00 49.53 H new ATOM 0 HA LEU A 71 33.448 35.089 23.626 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.360 37.747 25.131 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.768 37.044 24.361 1.00 49.82 H new ATOM 0 HG LEU A 71 32.299 38.154 22.967 1.00 49.91 H new ATOM 0 HD11 LEU A 71 33.912 39.751 22.024 1.00 49.73 H new ATOM 0 HD12 LEU A 71 33.880 39.833 23.802 1.00 49.73 H new ATOM 0 HD13 LEU A 71 35.216 38.998 22.973 1.00 49.73 H new ATOM 0 HD21 LEU A 71 33.458 37.585 20.871 1.00 49.73 H new ATOM 0 HD22 LEU A 71 34.748 36.785 21.800 1.00 49.73 H new ATOM 0 HD23 LEU A 71 33.095 36.128 21.826 1.00 49.73 H new ATOM 1148 N ARG A 72 34.586 34.651 25.843 1.00 49.53 N ATOM 1149 CA ARG A 72 35.099 34.066 27.100 1.00 50.07 C ATOM 1150 C ARG A 72 36.530 34.508 27.393 1.00 50.51 C ATOM 1151 O ARG A 72 37.407 33.684 26.983 1.00 49.49 O ATOM 1152 CB ARG A 72 34.974 32.550 27.116 1.00 49.82 C ATOM 1153 CG ARG A 72 35.306 31.894 28.448 1.00 49.82 C ATOM 1154 CD ARG A 72 35.133 30.419 28.464 1.00 50.20 C ATOM 1155 NE ARG A 72 35.385 29.797 29.754 1.00 49.30 N ATOM 1156 CZ ARG A 72 36.599 29.412 30.194 1.00 50.64 C ATOM 1157 NH1 ARG A 72 37.666 29.547 29.439 1.00 49.20 N ATOM 1158 NH2 ARG A 72 36.684 28.872 31.397 1.00 49.20 N ATOM 0 H ARG A 72 35.262 34.631 25.080 1.00 49.53 H new ATOM 0 HA ARG A 72 34.469 34.451 27.902 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.955 32.281 26.839 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.631 32.138 26.351 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.338 32.130 28.708 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.674 32.330 29.222 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.116 30.182 28.153 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.803 29.979 27.725 1.00 50.20 H new ATOM 0 HE ARG A 72 34.586 29.641 30.369 1.00 49.30 H new ATOM 0 HH11 ARG A 72 37.582 29.948 28.505 1.00 49.20 H new ATOM 0 HH12 ARG A 72 38.578 29.251 29.787 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.844 28.757 31.965 1.00 49.20 H new ATOM 0 HH22 ARG A 72 37.589 28.571 31.758 1.00 49.20 H new ATOM 1172 N LEU A 73 36.775 35.687 27.864 1.00 49.53 N ATOM 1173 CA LEU A 73 38.175 36.105 28.128 1.00 50.07 C ATOM 1174 C LEU A 73 38.967 35.264 29.120 1.00 50.51 C ATOM 1175 O LEU A 73 38.400 34.468 29.885 1.00 49.49 O ATOM 1176 CB LEU A 73 38.189 37.569 28.583 1.00 49.82 C ATOM 1177 CG LEU A 73 38.403 38.598 27.465 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.288 38.488 26.434 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.450 39.996 28.063 1.00 49.73 C ATOM 0 H LEU A 73 36.065 36.387 28.080 1.00 49.53 H new ATOM 0 HA LEU A 73 38.686 35.956 27.177 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.244 37.787 29.080 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.976 37.694 29.326 1.00 49.82 H new ATOM 0 HG LEU A 73 39.351 38.400 26.964 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.449 39.222 25.645 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.288 37.487 26.004 1.00 49.73 H new ATOM 0 HD13 LEU A 73 36.328 38.676 26.915 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.602 40.727 27.269 1.00 49.73 H new ATOM 0 HD22 LEU A 73 37.510 40.205 28.573 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.272 40.059 28.776 1.00 49.73 H new ATOM 1191 N ARG A 74 40.277 35.329 28.946 1.00 49.53 N ATOM 1192 CA ARG A 74 41.220 34.583 29.795 1.00 50.07 C ATOM 1193 C ARG A 74 41.959 35.608 30.652 1.00 50.51 C ATOM 1194 O ARG A 74 43.007 36.140 30.245 1.00 49.49 O ATOM 1195 CB ARG A 74 42.172 33.708 28.994 1.00 49.82 C ATOM 1196 CG ARG A 74 43.179 32.929 29.825 1.00 49.82 C ATOM 1197 CD ARG A 74 44.121 32.102 29.029 1.00 50.20 C ATOM 1198 NE ARG A 74 43.496 31.015 28.294 1.00 49.30 N ATOM 1199 CZ ARG A 74 43.218 29.802 28.810 1.00 50.64 C ATOM 1200 NH1 ARG A 74 43.541 29.503 30.048 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.633 28.910 28.029 1.00 49.20 N ATOM 0 H ARG A 74 40.724 35.892 28.222 1.00 49.53 H new ATOM 0 HA ARG A 74 40.674 33.882 30.426 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.585 33.003 28.405 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.715 34.338 28.289 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.753 33.631 30.430 1.00 49.82 H new ATOM 0 HG3 ARG A 74 42.639 32.281 30.515 1.00 49.82 H new ATOM 0 HD2 ARG A 74 44.644 32.747 28.323 1.00 50.20 H new ATOM 0 HD3 ARG A 74 44.874 31.686 29.698 1.00 50.20 H new ATOM 0 HE ARG A 74 43.250 31.182 27.318 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.010 30.194 30.634 1.00 49.20 H new ATOM 0 HH12 ARG A 74 43.323 28.580 30.423 1.00 49.20 H new ATOM 0 HH21 ARG A 74 42.405 29.149 27.064 1.00 49.20 H new ATOM 0 HH22 ARG A 74 42.410 27.983 28.391 1.00 49.20 H new ATOM 1215 N GLY A 75 41.332 35.948 31.773 1.00 49.53 N ATOM 1216 CA GLY A 75 41.875 36.899 32.732 1.00 49.98 C ATOM 1217 C GLY A 75 40.966 38.112 32.743 1.00 50.51 C ATOM 1218 O GLY A 75 40.215 38.385 31.790 1.00 49.49 O ATOM 0 H GLY A 75 40.425 35.567 32.042 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.929 36.452 33.725 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.890 37.184 32.455 1.00 49.98 H new ATOM 1222 N GLY A 76 41.095 38.864 33.819 1.00 49.53 N ATOM 1223 CA GLY A 76 40.345 40.104 34.069 1.00 49.98 C ATOM 1224 C GLY A 76 40.038 40.253 35.568 1.00 50.51 C ATOM 1225 O GLY A 76 38.933 40.754 35.859 1.00 49.49 O ATOM 0 H GLY A 76 41.741 38.632 34.573 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.922 40.961 33.723 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.415 40.095 33.500 1.00 49.98 H new TER 1229 GLY A 76