USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 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 66 THR OG1 : rot -23:sc= -0.916 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -2.51 X(o=-3.4,f=-3.5!) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -103:sc= 1.3 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -91:sc= 1.01 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -175:sc= -0.394 USER MOD Single : A 25 ASN : amide:sc= -4.97! C(o=-5!,f=-8.8!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -2.16 (180deg=-2.6) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= -5.46! (180deg=-5.53!) USER MOD Single : A 31 GLN : amide:sc= -4.03! C(o=-4!,f=-6.8!) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= -0.0645 (180deg=-0.605) USER MOD Single : A 40 GLN : amide:sc= -0.063 K(o=-0.063,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= -0.59 X(o=-0.59,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0993 (180deg=-0.769) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00675 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 60 ASN : amide:sc= -1 K(o=-1,f=-2.1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.0347 (180deg=-0.424) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 29.415 27.547 2.564 1.00 0.00 N ATOM 21 CA GLN A 2 29.580 28.746 3.383 1.00 0.00 C ATOM 22 C GLN A 2 28.647 28.706 4.593 1.00 0.00 C ATOM 23 O GLN A 2 27.593 28.077 4.558 1.00 0.00 O ATOM 24 CB GLN A 2 29.270 29.989 2.541 1.00 0.00 C ATOM 25 CG GLN A 2 27.904 29.824 1.869 1.00 0.00 C ATOM 26 CD GLN A 2 27.580 31.060 1.035 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.913 32.241 1.480 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 27.010 30.946 -0.050 1.00 0.00 N flip ATOM 0 HA GLN A 2 30.610 28.786 3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.272 30.878 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 2 30.043 30.132 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.906 28.938 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.133 29.673 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.751 30.022 -0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.797 31.776 -0.604 1.00 0.00 H new ATOM 37 N ILE A 3 29.051 29.395 5.659 1.00 0.00 N ATOM 38 CA ILE A 3 28.256 29.451 6.880 1.00 0.00 C ATOM 39 C ILE A 3 28.330 30.839 7.512 1.00 0.00 C ATOM 40 O ILE A 3 29.355 31.515 7.439 1.00 0.00 O ATOM 41 CB ILE A 3 28.745 28.403 7.879 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.190 28.706 8.300 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.689 27.010 7.235 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.603 27.746 9.407 1.00 0.00 C ATOM 0 H ILE A 3 29.924 29.921 5.700 1.00 0.00 H new ATOM 0 HA ILE A 3 27.219 29.241 6.619 1.00 0.00 H new ATOM 0 HB ILE A 3 28.101 28.429 8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.859 28.603 7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.272 29.736 8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.038 26.265 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.663 26.783 6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.326 26.992 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.629 27.958 9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.940 27.871 10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.537 26.721 9.043 1.00 0.00 H new ATOM 56 N PHE A 4 27.230 31.259 8.127 1.00 0.00 N ATOM 57 CA PHE A 4 27.161 32.571 8.771 1.00 0.00 C ATOM 58 C PHE A 4 27.412 32.441 10.267 1.00 0.00 C ATOM 59 O PHE A 4 26.779 31.620 10.930 1.00 0.00 O ATOM 60 CB PHE A 4 25.780 33.186 8.538 1.00 0.00 C ATOM 61 CG PHE A 4 25.600 33.499 7.072 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.964 32.575 6.233 1.00 0.00 C ATOM 63 CD2 PHE A 4 26.066 34.712 6.552 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.787 32.868 4.876 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.890 35.005 5.194 1.00 0.00 C ATOM 66 CZ PHE A 4 25.254 34.082 4.355 1.00 0.00 C ATOM 0 H PHE A 4 26.372 30.712 8.195 1.00 0.00 H new ATOM 0 HA PHE A 4 27.927 33.214 8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.004 32.496 8.870 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.672 34.095 9.129 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.610 31.636 6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.561 35.422 7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.291 32.159 4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 4 26.245 35.943 4.794 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.123 34.306 3.307 1.00 0.00 H new ATOM 76 N VAL A 5 28.321 33.263 10.809 1.00 0.00 N ATOM 77 CA VAL A 5 28.626 33.230 12.241 1.00 0.00 C ATOM 78 C VAL A 5 28.176 34.521 12.909 1.00 0.00 C ATOM 79 O VAL A 5 28.675 35.609 12.611 1.00 0.00 O ATOM 80 CB VAL A 5 30.127 33.021 12.453 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.492 33.288 13.924 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.464 31.569 12.114 1.00 0.00 C ATOM 0 H VAL A 5 28.853 33.953 10.280 1.00 0.00 H new ATOM 0 HA VAL A 5 28.086 32.399 12.694 1.00 0.00 H new ATOM 0 HB VAL A 5 30.687 33.706 11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.562 33.137 14.067 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.233 34.315 14.183 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.940 32.602 14.566 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.531 31.400 12.259 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.899 30.903 12.766 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.203 31.368 11.075 1.00 0.00 H new ATOM 92 N LYS A 6 27.225 34.377 13.808 1.00 0.00 N ATOM 93 CA LYS A 6 26.677 35.515 14.533 1.00 0.00 C ATOM 94 C LYS A 6 27.439 35.744 15.840 1.00 0.00 C ATOM 95 O LYS A 6 27.310 34.968 16.786 1.00 0.00 O ATOM 96 CB LYS A 6 25.206 35.229 14.818 1.00 0.00 C ATOM 97 CG LYS A 6 24.464 36.518 15.153 1.00 0.00 C ATOM 98 CD LYS A 6 22.999 36.173 15.438 1.00 0.00 C ATOM 99 CE LYS A 6 22.295 37.358 16.094 1.00 0.00 C ATOM 100 NZ LYS A 6 20.898 36.967 16.441 1.00 0.00 N ATOM 0 H LYS A 6 26.810 33.479 14.058 1.00 0.00 H new ATOM 0 HA LYS A 6 26.776 36.420 13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.748 34.754 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.120 34.528 15.648 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.915 37.001 16.020 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.533 37.222 14.324 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.493 35.909 14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.944 35.301 16.090 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.833 37.665 16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.289 38.213 15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.413 37.771 16.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.389 36.694 15.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.916 36.163 17.101 1.00 0.00 H new ATOM 114 N THR A 7 28.236 36.810 15.882 1.00 0.00 N ATOM 115 CA THR A 7 29.017 37.125 17.080 1.00 0.00 C ATOM 116 C THR A 7 28.102 37.658 18.176 1.00 0.00 C ATOM 117 O THR A 7 26.921 37.901 17.934 1.00 0.00 O ATOM 118 CB THR A 7 30.094 38.163 16.755 1.00 0.00 C ATOM 119 OG1 THR A 7 29.477 39.395 16.403 1.00 0.00 O ATOM 120 CG2 THR A 7 30.955 37.668 15.590 1.00 0.00 C ATOM 0 H THR A 7 28.359 37.465 15.110 1.00 0.00 H new ATOM 0 HA THR A 7 29.500 36.212 17.429 1.00 0.00 H new ATOM 0 HB THR A 7 30.726 38.312 17.630 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.503 39.508 15.430 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.720 38.410 15.362 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.432 36.727 15.864 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.327 37.514 14.713 1.00 0.00 H new ATOM 128 N LEU A 8 28.637 37.834 19.387 1.00 0.00 N ATOM 129 CA LEU A 8 27.827 38.332 20.494 1.00 0.00 C ATOM 130 C LEU A 8 27.690 39.851 20.433 1.00 0.00 C ATOM 131 O LEU A 8 26.712 40.412 20.925 1.00 0.00 O ATOM 132 CB LEU A 8 28.463 37.931 21.838 1.00 0.00 C ATOM 133 CG LEU A 8 27.652 38.516 23.009 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.188 38.054 22.920 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.252 38.043 24.338 1.00 0.00 C ATOM 0 H LEU A 8 29.611 37.642 19.621 1.00 0.00 H new ATOM 0 HA LEU A 8 26.835 37.888 20.410 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.501 36.845 21.920 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.491 38.291 21.883 1.00 0.00 H new ATOM 0 HG LEU A 8 27.689 39.604 22.956 1.00 0.00 H new ATOM 0 HD11 LEU A 8 25.623 38.473 23.753 1.00 0.00 H new ATOM 0 HD12 LEU A 8 25.755 38.395 21.980 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.147 36.966 22.965 1.00 0.00 H new ATOM 0 HD21 LEU A 8 27.676 38.458 25.165 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.221 36.954 24.384 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.286 38.380 24.411 1.00 0.00 H new ATOM 147 N THR A 9 28.678 40.516 19.842 1.00 0.00 N ATOM 148 CA THR A 9 28.644 41.970 19.750 1.00 0.00 C ATOM 149 C THR A 9 27.558 42.419 18.782 1.00 0.00 C ATOM 150 O THR A 9 27.183 43.589 18.756 1.00 0.00 O ATOM 151 CB THR A 9 30.000 42.505 19.284 1.00 0.00 C ATOM 152 OG1 THR A 9 31.017 42.038 20.161 1.00 0.00 O ATOM 153 CG2 THR A 9 29.978 44.035 19.295 1.00 0.00 C ATOM 0 H THR A 9 29.500 40.079 19.426 1.00 0.00 H new ATOM 0 HA THR A 9 28.423 42.369 20.740 1.00 0.00 H new ATOM 0 HB THR A 9 30.202 42.154 18.272 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.887 42.378 19.864 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.944 44.415 18.963 1.00 0.00 H new ATOM 0 HG22 THR A 9 29.197 44.392 18.624 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.777 44.389 20.306 1.00 0.00 H new ATOM 161 N GLY A 10 27.051 41.480 17.988 1.00 0.00 N ATOM 162 CA GLY A 10 26.000 41.786 17.018 1.00 0.00 C ATOM 163 C GLY A 10 26.580 41.936 15.620 1.00 0.00 C ATOM 164 O GLY A 10 25.879 42.331 14.688 1.00 0.00 O ATOM 0 H GLY A 10 27.348 40.504 17.996 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.253 40.993 17.023 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.491 42.706 17.306 1.00 0.00 H new ATOM 168 N LYS A 11 27.858 41.588 15.464 1.00 0.00 N ATOM 169 CA LYS A 11 28.508 41.657 14.158 1.00 0.00 C ATOM 170 C LYS A 11 28.389 40.309 13.458 1.00 0.00 C ATOM 171 O LYS A 11 28.665 39.266 14.052 1.00 0.00 O ATOM 172 CB LYS A 11 29.985 42.028 14.319 1.00 0.00 C ATOM 173 CG LYS A 11 30.100 43.486 14.769 1.00 0.00 C ATOM 174 CD LYS A 11 31.572 43.907 14.785 1.00 0.00 C ATOM 175 CE LYS A 11 31.685 45.361 15.248 1.00 0.00 C ATOM 176 NZ LYS A 11 33.123 45.728 15.388 1.00 0.00 N ATOM 0 H LYS A 11 28.458 41.258 16.220 1.00 0.00 H new ATOM 0 HA LYS A 11 28.018 42.424 13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.458 41.372 15.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.512 41.885 13.375 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.535 44.130 14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.667 43.605 15.762 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.139 43.257 15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.003 43.797 13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.198 46.021 14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.171 45.492 16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.200 46.716 15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.574 45.105 16.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.600 45.619 14.470 1.00 0.00 H new ATOM 190 N THR A 12 27.979 40.330 12.196 1.00 0.00 N ATOM 191 CA THR A 12 27.828 39.099 11.422 1.00 0.00 C ATOM 192 C THR A 12 28.982 38.946 10.437 1.00 0.00 C ATOM 193 O THR A 12 29.234 39.836 9.626 1.00 0.00 O ATOM 194 CB THR A 12 26.508 39.138 10.649 1.00 0.00 C ATOM 195 OG1 THR A 12 25.426 39.151 11.569 1.00 0.00 O ATOM 196 CG2 THR A 12 26.402 37.903 9.747 1.00 0.00 C ATOM 0 H THR A 12 27.745 41.182 11.686 1.00 0.00 H new ATOM 0 HA THR A 12 27.831 38.252 12.108 1.00 0.00 H new ATOM 0 HB THR A 12 26.473 40.036 10.032 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.579 39.178 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.461 37.933 9.198 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.233 37.895 9.042 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.436 37.002 10.359 1.00 0.00 H new ATOM 204 N ILE A 13 29.673 37.809 10.503 1.00 0.00 N ATOM 205 CA ILE A 13 30.797 37.542 9.597 1.00 0.00 C ATOM 206 C ILE A 13 30.651 36.157 8.982 1.00 0.00 C ATOM 207 O ILE A 13 30.436 35.167 9.681 1.00 0.00 O ATOM 208 CB ILE A 13 32.120 37.619 10.360 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.291 37.475 9.380 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.169 36.489 11.392 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.615 37.539 10.148 1.00 0.00 C ATOM 0 H ILE A 13 29.479 37.061 11.168 1.00 0.00 H new ATOM 0 HA ILE A 13 30.793 38.293 8.807 1.00 0.00 H new ATOM 0 HB ILE A 13 32.196 38.581 10.866 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.215 36.529 8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.253 38.268 8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.110 36.537 11.940 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.337 36.596 12.088 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.095 35.528 10.883 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.446 37.436 9.450 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.690 38.496 10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.652 36.730 10.877 1.00 0.00 H new ATOM 223 N THR A 14 30.737 36.105 7.663 1.00 0.00 N ATOM 224 CA THR A 14 30.580 34.848 6.936 1.00 0.00 C ATOM 225 C THR A 14 31.883 34.059 6.904 1.00 0.00 C ATOM 226 O THR A 14 32.976 34.627 6.878 1.00 0.00 O ATOM 227 CB THR A 14 30.107 35.127 5.508 1.00 0.00 C ATOM 228 OG1 THR A 14 28.929 35.920 5.549 1.00 0.00 O ATOM 229 CG2 THR A 14 29.800 33.802 4.793 1.00 0.00 C ATOM 0 H THR A 14 30.914 36.916 7.071 1.00 0.00 H new ATOM 0 HA THR A 14 29.834 34.248 7.457 1.00 0.00 H new ATOM 0 HB THR A 14 30.891 35.657 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.142 35.336 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.464 34.006 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.701 33.189 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.018 33.269 5.334 1.00 0.00 H new ATOM 237 N LEU A 15 31.740 32.735 6.930 1.00 0.00 N ATOM 238 CA LEU A 15 32.879 31.817 6.928 1.00 0.00 C ATOM 239 C LEU A 15 32.773 30.828 5.763 1.00 0.00 C ATOM 240 O LEU A 15 31.718 30.240 5.529 1.00 0.00 O ATOM 241 CB LEU A 15 32.886 31.041 8.273 1.00 0.00 C ATOM 242 CG LEU A 15 34.274 31.076 8.934 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.490 32.438 9.597 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.351 29.980 10.004 1.00 0.00 C ATOM 0 H LEU A 15 30.833 32.269 6.953 1.00 0.00 H new ATOM 0 HA LEU A 15 33.802 32.384 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.149 31.474 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.590 30.006 8.099 1.00 0.00 H new ATOM 0 HG LEU A 15 35.041 30.911 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.474 32.463 10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.427 33.223 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.723 32.600 10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.333 30.001 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.583 30.153 10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.192 29.007 9.540 1.00 0.00 H new ATOM 256 N GLU A 16 33.883 30.629 5.064 1.00 0.00 N ATOM 257 CA GLU A 16 33.921 29.677 3.952 1.00 0.00 C ATOM 258 C GLU A 16 34.581 28.391 4.438 1.00 0.00 C ATOM 259 O GLU A 16 35.687 28.427 4.975 1.00 0.00 O ATOM 260 CB GLU A 16 34.707 30.254 2.772 1.00 0.00 C ATOM 261 CG GLU A 16 34.692 29.253 1.614 1.00 0.00 C ATOM 262 CD GLU A 16 35.327 29.877 0.376 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.041 30.853 0.532 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.088 29.371 -0.708 1.00 0.00 O ATOM 0 H GLU A 16 34.765 31.108 5.242 1.00 0.00 H new ATOM 0 HA GLU A 16 32.905 29.474 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.267 31.200 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.733 30.464 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.235 28.351 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.667 28.953 1.395 1.00 0.00 H new ATOM 271 N VAL A 17 33.908 27.257 4.246 1.00 0.00 N ATOM 272 CA VAL A 17 34.463 25.973 4.680 1.00 0.00 C ATOM 273 C VAL A 17 33.881 24.827 3.864 1.00 0.00 C ATOM 274 O VAL A 17 33.006 25.014 3.023 1.00 0.00 O ATOM 275 CB VAL A 17 34.189 25.752 6.180 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.681 25.657 6.447 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.871 24.470 6.698 1.00 0.00 C ATOM 0 H VAL A 17 32.992 27.199 3.800 1.00 0.00 H new ATOM 0 HA VAL A 17 35.541 25.995 4.518 1.00 0.00 H new ATOM 0 HB VAL A 17 34.604 26.610 6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.509 25.501 7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.197 26.582 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.264 24.821 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.656 24.347 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.492 23.609 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.949 24.547 6.553 1.00 0.00 H new ATOM 287 N GLU A 18 34.379 23.652 4.152 1.00 0.00 N ATOM 288 CA GLU A 18 33.926 22.417 3.490 1.00 0.00 C ATOM 289 C GLU A 18 32.949 21.675 4.409 1.00 0.00 C ATOM 290 O GLU A 18 33.091 21.731 5.629 1.00 0.00 O ATOM 291 CB GLU A 18 35.120 21.515 3.170 1.00 0.00 C ATOM 292 CG GLU A 18 36.175 22.318 2.406 1.00 0.00 C ATOM 293 CD GLU A 18 37.373 21.430 2.083 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.975 20.919 3.011 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.670 21.275 0.908 1.00 0.00 O ATOM 0 H GLU A 18 35.110 23.505 4.848 1.00 0.00 H new ATOM 0 HA GLU A 18 33.426 22.678 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.546 21.118 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.796 20.661 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.746 22.714 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.495 23.173 3.002 1.00 0.00 H new ATOM 302 N PRO A 19 31.970 20.979 3.879 1.00 0.00 N ATOM 303 CA PRO A 19 30.993 20.232 4.732 1.00 0.00 C ATOM 304 C PRO A 19 31.647 19.055 5.456 1.00 0.00 C ATOM 305 O PRO A 19 31.154 18.600 6.486 1.00 0.00 O ATOM 306 CB PRO A 19 29.921 19.758 3.733 1.00 0.00 C ATOM 307 CG PRO A 19 30.622 19.701 2.413 1.00 0.00 C ATOM 308 CD PRO A 19 31.676 20.815 2.442 1.00 0.00 C ATOM 0 HA PRO A 19 30.582 20.851 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.525 18.782 4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.077 20.447 3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 19 31.088 18.727 2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.920 19.850 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.568 20.538 1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.296 21.738 2.003 1.00 0.00 H new ATOM 316 N SER A 20 32.760 18.569 4.911 1.00 0.00 N ATOM 317 CA SER A 20 33.472 17.445 5.515 1.00 0.00 C ATOM 318 C SER A 20 34.469 17.942 6.556 1.00 0.00 C ATOM 319 O SER A 20 35.119 17.149 7.238 1.00 0.00 O ATOM 320 CB SER A 20 34.207 16.652 4.433 1.00 0.00 C ATOM 321 OG SER A 20 35.271 17.438 3.915 1.00 0.00 O ATOM 0 H SER A 20 33.186 18.933 4.059 1.00 0.00 H new ATOM 0 HA SER A 20 32.746 16.798 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.595 15.722 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.518 16.381 3.634 1.00 0.00 H new ATOM 0 HG SER A 20 35.745 16.932 3.223 1.00 0.00 H new ATOM 327 N ASP A 21 34.581 19.261 6.677 1.00 0.00 N ATOM 328 CA ASP A 21 35.493 19.855 7.643 1.00 0.00 C ATOM 329 C ASP A 21 35.062 19.500 9.058 1.00 0.00 C ATOM 330 O ASP A 21 33.880 19.298 9.323 1.00 0.00 O ATOM 331 CB ASP A 21 35.503 21.379 7.477 1.00 0.00 C ATOM 332 CG ASP A 21 36.798 21.967 8.025 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.523 21.235 8.675 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.042 23.138 7.791 1.00 0.00 O ATOM 0 H ASP A 21 34.054 19.934 6.121 1.00 0.00 H new ATOM 0 HA ASP A 21 36.495 19.464 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.397 21.637 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.650 21.813 7.999 1.00 0.00 H new ATOM 339 N THR A 22 36.021 19.450 9.967 1.00 0.00 N ATOM 340 CA THR A 22 35.728 19.144 11.364 1.00 0.00 C ATOM 341 C THR A 22 35.391 20.418 12.134 1.00 0.00 C ATOM 342 O THR A 22 35.590 21.533 11.646 1.00 0.00 O ATOM 343 CB THR A 22 36.924 18.445 12.017 1.00 0.00 C ATOM 344 OG1 THR A 22 38.086 19.242 11.851 1.00 0.00 O ATOM 345 CG2 THR A 22 37.135 17.079 11.360 1.00 0.00 C ATOM 0 H THR A 22 37.007 19.616 9.767 1.00 0.00 H new ATOM 0 HA THR A 22 34.866 18.478 11.394 1.00 0.00 H new ATOM 0 HB THR A 22 36.732 18.308 13.081 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.865 18.761 12.199 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.986 16.580 11.823 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.241 16.470 11.492 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.329 17.213 10.296 1.00 0.00 H new ATOM 353 N ILE A 23 34.910 20.249 13.351 1.00 0.00 N ATOM 354 CA ILE A 23 34.589 21.408 14.181 1.00 0.00 C ATOM 355 C ILE A 23 35.876 22.100 14.609 1.00 0.00 C ATOM 356 O ILE A 23 36.024 23.308 14.433 1.00 0.00 O ATOM 357 CB ILE A 23 33.774 20.985 15.405 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.616 20.077 14.971 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.208 22.221 16.107 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.857 20.708 13.798 1.00 0.00 C ATOM 0 H ILE A 23 34.734 19.343 13.785 1.00 0.00 H new ATOM 0 HA ILE A 23 33.986 22.105 13.600 1.00 0.00 H new ATOM 0 HB ILE A 23 34.425 20.443 16.091 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.001 19.099 14.681 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.937 19.917 15.808 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.629 21.912 16.977 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.027 22.865 16.426 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.564 22.768 15.418 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.038 20.053 13.500 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.456 21.675 14.102 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.536 20.845 12.957 1.00 0.00 H new ATOM 372 N GLU A 24 36.819 21.330 15.148 1.00 0.00 N ATOM 373 CA GLU A 24 38.099 21.892 15.569 1.00 0.00 C ATOM 374 C GLU A 24 38.645 22.811 14.480 1.00 0.00 C ATOM 375 O GLU A 24 39.381 23.759 14.756 1.00 0.00 O ATOM 376 CB GLU A 24 39.101 20.770 15.846 1.00 0.00 C ATOM 377 CG GLU A 24 39.025 19.727 14.731 1.00 0.00 C ATOM 378 CD GLU A 24 40.171 18.732 14.872 1.00 0.00 C ATOM 379 OE1 GLU A 24 41.293 19.101 14.566 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.910 17.613 15.284 1.00 0.00 O ATOM 0 H GLU A 24 36.723 20.326 15.302 1.00 0.00 H new ATOM 0 HA GLU A 24 37.947 22.467 16.483 1.00 0.00 H new ATOM 0 HB2 GLU A 24 40.110 21.177 15.908 1.00 0.00 H new ATOM 0 HB3 GLU A 24 38.885 20.305 16.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.070 19.204 14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.075 20.217 13.759 1.00 0.00 H new ATOM 387 N ASN A 25 38.252 22.534 13.245 1.00 0.00 N ATOM 388 CA ASN A 25 38.681 23.354 12.122 1.00 0.00 C ATOM 389 C ASN A 25 37.939 24.683 12.162 1.00 0.00 C ATOM 390 O ASN A 25 38.550 25.744 12.281 1.00 0.00 O ATOM 391 CB ASN A 25 38.406 22.648 10.793 1.00 0.00 C ATOM 392 CG ASN A 25 39.111 23.388 9.661 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.417 24.573 9.789 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.385 22.756 8.553 1.00 0.00 N ATOM 0 H ASN A 25 37.642 21.755 12.997 1.00 0.00 H new ATOM 0 HA ASN A 25 39.755 23.524 12.201 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.756 21.617 10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.333 22.613 10.604 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.854 23.244 7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.130 21.774 8.450 1.00 0.00 H new ATOM 401 N VAL A 26 36.613 24.620 12.060 1.00 0.00 N ATOM 402 CA VAL A 26 35.797 25.831 12.091 1.00 0.00 C ATOM 403 C VAL A 26 36.248 26.744 13.221 1.00 0.00 C ATOM 404 O VAL A 26 36.122 27.972 13.147 1.00 0.00 O ATOM 405 CB VAL A 26 34.330 25.458 12.290 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.488 26.724 12.448 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.856 24.678 11.075 1.00 0.00 C ATOM 0 H VAL A 26 36.086 23.753 11.956 1.00 0.00 H new ATOM 0 HA VAL A 26 35.915 26.357 11.144 1.00 0.00 H new ATOM 0 HB VAL A 26 34.223 24.850 13.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.442 26.450 12.590 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.836 27.287 13.314 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.584 27.339 11.553 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.809 24.405 11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.963 25.294 10.182 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.456 23.774 10.966 1.00 0.00 H new ATOM 417 N LYS A 27 36.790 26.129 14.255 1.00 0.00 N ATOM 418 CA LYS A 27 37.280 26.877 15.404 1.00 0.00 C ATOM 419 C LYS A 27 38.566 27.594 15.039 1.00 0.00 C ATOM 420 O LYS A 27 38.718 28.791 15.285 1.00 0.00 O ATOM 421 CB LYS A 27 37.540 25.928 16.576 1.00 0.00 C ATOM 422 CG LYS A 27 36.217 25.300 17.043 1.00 0.00 C ATOM 423 CD LYS A 27 36.356 24.800 18.485 1.00 0.00 C ATOM 424 CE LYS A 27 35.208 23.842 18.806 1.00 0.00 C ATOM 425 NZ LYS A 27 33.908 24.538 18.596 1.00 0.00 N ATOM 0 H LYS A 27 36.903 25.118 14.326 1.00 0.00 H new ATOM 0 HA LYS A 27 36.527 27.609 15.696 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.237 25.146 16.275 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.006 26.471 17.399 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.414 26.034 16.979 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.946 24.473 16.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.313 24.294 18.615 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.344 25.643 19.176 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.267 22.960 18.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.286 23.497 19.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.299 24.394 19.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.077 25.556 18.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.440 24.151 17.752 1.00 0.00 H new ATOM 439 N ALA A 28 39.487 26.849 14.446 1.00 0.00 N ATOM 440 CA ALA A 28 40.765 27.406 14.041 1.00 0.00 C ATOM 441 C ALA A 28 40.559 28.643 13.168 1.00 0.00 C ATOM 442 O ALA A 28 41.314 29.610 13.266 1.00 0.00 O ATOM 443 CB ALA A 28 41.548 26.340 13.269 1.00 0.00 C ATOM 0 H ALA A 28 39.371 25.858 14.235 1.00 0.00 H new ATOM 0 HA ALA A 28 41.325 27.706 14.926 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.510 26.748 12.960 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.710 25.473 13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.981 26.039 12.388 1.00 0.00 H new ATOM 449 N LYS A 29 39.523 28.610 12.334 1.00 0.00 N ATOM 450 CA LYS A 29 39.231 29.750 11.476 1.00 0.00 C ATOM 451 C LYS A 29 38.849 30.958 12.331 1.00 0.00 C ATOM 452 O LYS A 29 39.546 31.973 12.334 1.00 0.00 O ATOM 453 CB LYS A 29 38.095 29.412 10.513 1.00 0.00 C ATOM 454 CG LYS A 29 38.643 28.548 9.371 1.00 0.00 C ATOM 455 CD LYS A 29 37.493 27.859 8.642 1.00 0.00 C ATOM 456 CE LYS A 29 38.045 26.774 7.707 1.00 0.00 C ATOM 457 NZ LYS A 29 37.085 26.543 6.590 1.00 0.00 N ATOM 0 H LYS A 29 38.884 27.821 12.236 1.00 0.00 H new ATOM 0 HA LYS A 29 40.121 29.990 10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.302 28.880 11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.656 30.327 10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.208 29.167 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.333 27.802 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.807 27.415 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.924 28.591 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.013 27.079 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.204 25.849 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.418 25.750 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.148 26.316 6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 37.019 27.401 6.006 1.00 0.00 H new ATOM 471 N ILE A 30 37.731 30.845 13.044 1.00 0.00 N ATOM 472 CA ILE A 30 37.254 31.928 13.888 1.00 0.00 C ATOM 473 C ILE A 30 38.358 32.429 14.824 1.00 0.00 C ATOM 474 O ILE A 30 38.494 33.633 15.044 1.00 0.00 O ATOM 475 CB ILE A 30 36.053 31.424 14.694 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.846 31.258 13.762 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.703 32.428 15.791 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.784 30.400 14.454 1.00 0.00 C ATOM 0 H ILE A 30 37.141 30.013 13.052 1.00 0.00 H new ATOM 0 HA ILE A 30 36.956 32.769 13.262 1.00 0.00 H new ATOM 0 HB ILE A 30 36.306 30.466 15.148 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.432 32.234 13.508 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.156 30.790 12.828 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.848 32.062 16.360 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.557 32.551 16.458 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.454 33.388 15.339 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.925 30.281 13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.202 29.420 14.686 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.467 30.887 15.376 1.00 0.00 H new ATOM 490 N GLN A 31 39.137 31.506 15.376 1.00 0.00 N ATOM 491 CA GLN A 31 40.212 31.883 16.285 1.00 0.00 C ATOM 492 C GLN A 31 41.224 32.774 15.578 1.00 0.00 C ATOM 493 O GLN A 31 41.458 33.911 15.984 1.00 0.00 O ATOM 494 CB GLN A 31 40.921 30.632 16.816 1.00 0.00 C ATOM 495 CG GLN A 31 42.042 31.038 17.790 1.00 0.00 C ATOM 496 CD GLN A 31 43.294 31.444 17.017 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.576 30.889 15.955 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.059 32.392 17.484 1.00 0.00 N ATOM 0 H GLN A 31 39.046 30.503 15.213 1.00 0.00 H new ATOM 0 HA GLN A 31 39.774 32.433 17.118 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.205 29.985 17.322 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.337 30.060 15.987 1.00 0.00 H new ATOM 0 HG2 GLN A 31 41.708 31.866 18.415 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.272 30.207 18.457 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.823 32.850 18.364 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.893 32.675 16.969 1.00 0.00 H new ATOM 507 N ASP A 32 41.833 32.234 14.535 1.00 0.00 N ATOM 508 CA ASP A 32 42.841 32.966 13.781 1.00 0.00 C ATOM 509 C ASP A 32 42.353 34.362 13.380 1.00 0.00 C ATOM 510 O ASP A 32 43.141 35.306 13.352 1.00 0.00 O ATOM 511 CB ASP A 32 43.227 32.172 12.529 1.00 0.00 C ATOM 512 CG ASP A 32 44.297 32.925 11.745 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.997 34.001 11.256 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.400 32.414 11.647 1.00 0.00 O ATOM 0 H ASP A 32 41.648 31.292 14.190 1.00 0.00 H new ATOM 0 HA ASP A 32 43.711 33.092 14.425 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.598 31.187 12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.349 32.014 11.903 1.00 0.00 H new ATOM 519 N LYS A 33 41.068 34.489 13.046 1.00 0.00 N ATOM 520 CA LYS A 33 40.526 35.782 12.619 1.00 0.00 C ATOM 521 C LYS A 33 40.216 36.729 13.787 1.00 0.00 C ATOM 522 O LYS A 33 40.455 37.932 13.679 1.00 0.00 O ATOM 523 CB LYS A 33 39.250 35.575 11.810 1.00 0.00 C ATOM 524 CG LYS A 33 39.534 34.692 10.594 1.00 0.00 C ATOM 525 CD LYS A 33 38.211 34.342 9.908 1.00 0.00 C ATOM 526 CE LYS A 33 38.473 33.425 8.711 1.00 0.00 C ATOM 527 NZ LYS A 33 39.399 34.101 7.758 1.00 0.00 N ATOM 0 H LYS A 33 40.391 33.726 13.062 1.00 0.00 H new ATOM 0 HA LYS A 33 41.303 36.248 12.013 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.486 35.112 12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.856 36.538 11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.192 35.212 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.050 33.783 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.543 33.850 10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.710 35.252 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.906 32.484 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.534 33.183 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.073 33.940 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.414 35.122 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.357 33.713 7.871 1.00 0.00 H new ATOM 541 N GLU A 34 39.645 36.207 14.881 1.00 0.00 N ATOM 542 CA GLU A 34 39.268 37.061 16.028 1.00 0.00 C ATOM 543 C GLU A 34 40.113 36.794 17.275 1.00 0.00 C ATOM 544 O GLU A 34 39.821 37.332 18.342 1.00 0.00 O ATOM 545 CB GLU A 34 37.794 36.829 16.377 1.00 0.00 C ATOM 546 CG GLU A 34 36.912 37.226 15.191 1.00 0.00 C ATOM 547 CD GLU A 34 36.938 38.739 15.003 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.071 39.437 15.994 1.00 0.00 O ATOM 549 OE2 GLU A 34 36.821 39.176 13.870 1.00 0.00 O ATOM 0 H GLU A 34 39.435 35.216 15.001 1.00 0.00 H new ATOM 0 HA GLU A 34 39.445 38.092 15.723 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.631 35.781 16.629 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.522 37.414 17.256 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.264 36.733 14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.889 36.890 15.360 1.00 0.00 H new ATOM 556 N GLY A 35 41.176 36.014 17.145 1.00 0.00 N ATOM 557 CA GLY A 35 42.052 35.748 18.288 1.00 0.00 C ATOM 558 C GLY A 35 41.302 35.151 19.485 1.00 0.00 C ATOM 559 O GLY A 35 41.790 35.205 20.615 1.00 0.00 O ATOM 0 H GLY A 35 41.454 35.558 16.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.843 35.063 17.982 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.535 36.676 18.594 1.00 0.00 H new ATOM 563 N ILE A 36 40.120 34.586 19.244 1.00 0.00 N ATOM 564 CA ILE A 36 39.328 33.990 20.315 1.00 0.00 C ATOM 565 C ILE A 36 39.759 32.533 20.567 1.00 0.00 C ATOM 566 O ILE A 36 39.735 31.723 19.639 1.00 0.00 O ATOM 567 CB ILE A 36 37.859 34.020 19.918 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.468 35.470 19.640 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.016 33.462 21.063 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.040 35.526 19.122 1.00 0.00 C ATOM 0 H ILE A 36 39.692 34.529 18.320 1.00 0.00 H new ATOM 0 HA ILE A 36 39.485 34.560 21.230 1.00 0.00 H new ATOM 0 HB ILE A 36 37.690 33.414 19.028 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.558 36.062 20.551 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.148 35.906 18.908 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.963 33.482 20.783 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.317 32.435 21.270 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.165 34.070 21.955 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.765 36.562 18.925 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.964 34.949 18.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.365 35.107 19.869 1.00 0.00 H new ATOM 582 N PRO A 37 40.152 32.167 21.776 1.00 0.00 N ATOM 583 CA PRO A 37 40.589 30.772 22.069 1.00 0.00 C ATOM 584 C PRO A 37 39.394 29.798 22.184 1.00 0.00 C ATOM 585 O PRO A 37 38.425 30.080 22.902 1.00 0.00 O ATOM 586 CB PRO A 37 41.326 30.897 23.405 1.00 0.00 C ATOM 587 CG PRO A 37 40.671 32.049 24.087 1.00 0.00 C ATOM 588 CD PRO A 37 40.230 33.015 22.980 1.00 0.00 C ATOM 0 HA PRO A 37 41.209 30.361 21.273 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.237 29.984 23.994 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.391 31.077 23.256 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.816 31.717 24.676 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.362 32.536 24.775 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.267 33.472 23.209 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.946 33.827 22.851 1.00 0.00 H new ATOM 596 N PRO A 38 39.432 28.664 21.507 1.00 0.00 N ATOM 597 CA PRO A 38 38.330 27.659 21.563 1.00 0.00 C ATOM 598 C PRO A 38 37.798 27.433 22.980 1.00 0.00 C ATOM 599 O PRO A 38 36.740 26.830 23.165 1.00 0.00 O ATOM 600 CB PRO A 38 38.977 26.391 21.016 1.00 0.00 C ATOM 601 CG PRO A 38 40.007 26.877 20.056 1.00 0.00 C ATOM 602 CD PRO A 38 40.516 28.210 20.613 1.00 0.00 C ATOM 0 HA PRO A 38 37.458 27.986 20.996 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.427 25.800 21.814 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.244 25.754 20.521 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.821 26.158 19.962 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.581 27.008 19.061 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.453 28.084 21.155 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.703 28.930 19.816 1.00 0.00 H new ATOM 610 N ASP A 39 38.543 27.902 23.980 1.00 0.00 N ATOM 611 CA ASP A 39 38.132 27.728 25.373 1.00 0.00 C ATOM 612 C ASP A 39 37.089 28.764 25.782 1.00 0.00 C ATOM 613 O ASP A 39 36.147 28.452 26.509 1.00 0.00 O ATOM 614 CB ASP A 39 39.347 27.842 26.294 1.00 0.00 C ATOM 615 CG ASP A 39 40.252 26.627 26.120 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.790 25.642 25.567 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.395 26.700 26.543 1.00 0.00 O ATOM 0 H ASP A 39 39.424 28.400 23.855 1.00 0.00 H new ATOM 0 HA ASP A 39 37.687 26.737 25.466 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.901 28.753 26.067 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.021 27.917 27.331 1.00 0.00 H new ATOM 622 N GLN A 40 37.273 29.999 25.332 1.00 0.00 N ATOM 623 CA GLN A 40 36.351 31.072 25.678 1.00 0.00 C ATOM 624 C GLN A 40 35.110 31.051 24.797 1.00 0.00 C ATOM 625 O GLN A 40 34.072 31.597 25.176 1.00 0.00 O ATOM 626 CB GLN A 40 37.052 32.425 25.528 1.00 0.00 C ATOM 627 CG GLN A 40 38.070 32.589 26.655 1.00 0.00 C ATOM 628 CD GLN A 40 38.843 33.893 26.476 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.778 34.512 25.413 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.574 34.351 27.455 1.00 0.00 N ATOM 0 H GLN A 40 38.047 30.281 24.731 1.00 0.00 H new ATOM 0 HA GLN A 40 36.040 30.922 26.712 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.550 32.485 24.560 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.321 33.233 25.561 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.561 32.588 27.619 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.760 31.745 26.658 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.627 33.838 28.335 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.092 35.222 27.340 1.00 0.00 H new ATOM 639 N GLN A 41 35.205 30.433 23.616 1.00 0.00 N ATOM 640 CA GLN A 41 34.067 30.372 22.700 1.00 0.00 C ATOM 641 C GLN A 41 33.407 28.997 22.702 1.00 0.00 C ATOM 642 O GLN A 41 34.074 27.968 22.822 1.00 0.00 O ATOM 643 CB GLN A 41 34.531 30.698 21.283 1.00 0.00 C ATOM 644 CG GLN A 41 35.688 29.780 20.899 1.00 0.00 C ATOM 645 CD GLN A 41 36.172 30.104 19.490 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.414 29.983 18.529 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.400 30.513 19.309 1.00 0.00 N ATOM 0 H GLN A 41 36.050 29.973 23.276 1.00 0.00 H new ATOM 0 HA GLN A 41 33.333 31.102 23.040 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.706 30.573 20.582 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.845 31.740 21.223 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.507 29.898 21.609 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.369 28.739 20.951 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.027 30.613 20.107 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.731 30.732 18.370 1.00 0.00 H new ATOM 656 N ARG A 42 32.086 29.001 22.535 1.00 0.00 N ATOM 657 CA ARG A 42 31.293 27.774 22.481 1.00 0.00 C ATOM 658 C ARG A 42 30.372 27.869 21.274 1.00 0.00 C ATOM 659 O ARG A 42 29.723 28.896 21.068 1.00 0.00 O ATOM 660 CB ARG A 42 30.458 27.621 23.760 1.00 0.00 C ATOM 661 CG ARG A 42 31.369 27.303 24.965 1.00 0.00 C ATOM 662 CD ARG A 42 31.502 25.781 25.145 1.00 0.00 C ATOM 663 NE ARG A 42 31.423 25.110 23.851 1.00 0.00 N ATOM 664 CZ ARG A 42 31.963 23.912 23.662 1.00 0.00 C ATOM 665 NH1 ARG A 42 31.874 23.330 22.497 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.585 23.317 24.642 1.00 0.00 N ATOM 0 H ARG A 42 31.536 29.854 22.433 1.00 0.00 H new ATOM 0 HA ARG A 42 31.949 26.907 22.398 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.901 28.539 23.950 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.725 26.824 23.630 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.353 27.746 24.813 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.956 27.749 25.870 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.451 25.546 25.627 1.00 0.00 H new ATOM 0 HD3 ARG A 42 30.712 25.415 25.801 1.00 0.00 H new ATOM 0 HE ARG A 42 30.944 25.570 23.077 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.389 23.796 21.730 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.290 22.410 22.354 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.656 23.772 25.552 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.000 22.397 24.498 1.00 0.00 H new ATOM 680 N LEU A 43 30.316 26.817 20.462 1.00 0.00 N ATOM 681 CA LEU A 43 29.467 26.835 19.268 1.00 0.00 C ATOM 682 C LEU A 43 28.122 26.176 19.536 1.00 0.00 C ATOM 683 O LEU A 43 28.043 24.973 19.810 1.00 0.00 O ATOM 684 CB LEU A 43 30.157 26.109 18.121 1.00 0.00 C ATOM 685 CG LEU A 43 31.585 26.626 17.929 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.124 26.066 16.617 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.591 28.156 17.863 1.00 0.00 C ATOM 0 H LEU A 43 30.839 25.952 20.603 1.00 0.00 H new ATOM 0 HA LEU A 43 29.299 27.878 18.999 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.178 25.038 18.323 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.588 26.249 17.202 1.00 0.00 H new ATOM 0 HG LEU A 43 32.205 26.309 18.767 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.142 26.422 16.460 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.123 24.977 16.659 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.492 26.398 15.793 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.613 28.510 17.726 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.977 28.486 17.025 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.187 28.562 18.791 1.00 0.00 H new ATOM 699 N ILE A 44 27.066 26.980 19.451 1.00 0.00 N ATOM 700 CA ILE A 44 25.698 26.499 19.686 1.00 0.00 C ATOM 701 C ILE A 44 24.854 26.546 18.409 1.00 0.00 C ATOM 702 O ILE A 44 24.746 27.586 17.752 1.00 0.00 O ATOM 703 CB ILE A 44 25.018 27.366 20.750 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.916 27.494 21.989 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.679 26.737 21.151 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.337 26.110 22.496 1.00 0.00 C ATOM 0 H ILE A 44 27.127 27.972 19.221 1.00 0.00 H new ATOM 0 HA ILE A 44 25.769 25.464 20.021 1.00 0.00 H new ATOM 0 HB ILE A 44 24.846 28.359 20.334 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.801 28.082 21.744 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.385 28.029 22.776 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.198 27.357 21.908 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.033 26.667 20.276 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.852 25.739 21.555 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.973 26.222 23.374 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.450 25.534 22.761 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.888 25.588 21.714 1.00 0.00 H new ATOM 718 N PHE A 45 24.247 25.407 18.072 1.00 0.00 N ATOM 719 CA PHE A 45 23.395 25.300 16.889 1.00 0.00 C ATOM 720 C PHE A 45 22.225 24.366 17.179 1.00 0.00 C ATOM 721 O PHE A 45 22.422 23.225 17.593 1.00 0.00 O ATOM 722 CB PHE A 45 24.200 24.748 15.713 1.00 0.00 C ATOM 723 CG PHE A 45 23.343 24.714 14.472 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.360 25.786 13.574 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.539 23.599 14.218 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.573 25.741 12.416 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.750 23.552 13.061 1.00 0.00 C ATOM 728 CZ PHE A 45 21.766 24.624 12.161 1.00 0.00 C ATOM 0 H PHE A 45 24.331 24.542 18.606 1.00 0.00 H new ATOM 0 HA PHE A 45 23.018 26.291 16.636 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.080 25.368 15.541 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.558 23.745 15.945 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.979 26.648 13.773 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.526 22.773 14.914 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.588 26.567 11.720 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.130 22.690 12.864 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.156 24.590 11.270 1.00 0.00 H new ATOM 738 N ALA A 46 21.009 24.860 16.971 1.00 0.00 N ATOM 739 CA ALA A 46 19.818 24.057 17.222 1.00 0.00 C ATOM 740 C ALA A 46 19.811 23.526 18.655 1.00 0.00 C ATOM 741 O ALA A 46 19.321 22.429 18.913 1.00 0.00 O ATOM 742 CB ALA A 46 19.764 22.884 16.241 1.00 0.00 C ATOM 0 H ALA A 46 20.823 25.804 16.632 1.00 0.00 H new ATOM 0 HA ALA A 46 18.943 24.692 17.082 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.872 22.289 16.435 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.732 23.265 15.220 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.650 22.262 16.369 1.00 0.00 H new ATOM 748 N GLY A 47 20.341 24.320 19.583 1.00 0.00 N ATOM 749 CA GLY A 47 20.371 23.926 20.991 1.00 0.00 C ATOM 750 C GLY A 47 21.289 22.725 21.232 1.00 0.00 C ATOM 751 O GLY A 47 21.174 22.049 22.255 1.00 0.00 O ATOM 0 H GLY A 47 20.753 25.233 19.389 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.709 24.768 21.596 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.361 23.682 21.321 1.00 0.00 H new ATOM 755 N LYS A 48 22.207 22.467 20.297 1.00 0.00 N ATOM 756 CA LYS A 48 23.148 21.344 20.429 1.00 0.00 C ATOM 757 C LYS A 48 24.585 21.831 20.328 1.00 0.00 C ATOM 758 O LYS A 48 24.944 22.515 19.367 1.00 0.00 O ATOM 759 CB LYS A 48 22.898 20.313 19.331 1.00 0.00 C ATOM 760 CG LYS A 48 21.432 19.868 19.339 1.00 0.00 C ATOM 761 CD LYS A 48 21.193 18.858 20.463 1.00 0.00 C ATOM 762 CE LYS A 48 19.785 18.280 20.338 1.00 0.00 C ATOM 763 NZ LYS A 48 18.823 19.379 20.044 1.00 0.00 N ATOM 0 H LYS A 48 22.321 23.015 19.444 1.00 0.00 H new ATOM 0 HA LYS A 48 22.990 20.888 21.406 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.150 20.739 18.360 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.547 19.450 19.479 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.782 20.733 19.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.174 19.422 18.378 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.932 18.058 20.411 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.314 19.341 21.432 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.755 17.534 19.544 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.505 17.774 21.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.858 19.066 20.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.062 20.212 20.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.877 19.627 19.035 1.00 0.00 H new ATOM 777 N GLN A 49 25.417 21.462 21.298 1.00 0.00 N ATOM 778 CA GLN A 49 26.816 21.857 21.270 1.00 0.00 C ATOM 779 C GLN A 49 27.579 21.014 20.263 1.00 0.00 C ATOM 780 O GLN A 49 27.459 19.788 20.251 1.00 0.00 O ATOM 781 CB GLN A 49 27.446 21.697 22.646 1.00 0.00 C ATOM 782 CG GLN A 49 26.865 22.742 23.598 1.00 0.00 C ATOM 783 CD GLN A 49 27.413 22.528 25.005 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.208 21.470 25.598 1.00 0.00 O ATOM 785 NE2 GLN A 49 28.104 23.476 25.576 1.00 0.00 N ATOM 0 H GLN A 49 25.148 20.897 22.103 1.00 0.00 H new ATOM 0 HA GLN A 49 26.868 22.906 20.977 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.256 20.695 23.030 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.528 21.813 22.578 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.117 23.744 23.249 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.777 22.672 23.608 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.273 24.352 25.082 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.476 23.341 26.516 1.00 0.00 H new ATOM 794 N LEU A 50 28.345 21.667 19.403 1.00 0.00 N ATOM 795 CA LEU A 50 29.094 20.946 18.383 1.00 0.00 C ATOM 796 C LEU A 50 30.217 20.125 19.016 1.00 0.00 C ATOM 797 O LEU A 50 30.951 20.611 19.875 1.00 0.00 O ATOM 798 CB LEU A 50 29.666 21.940 17.369 1.00 0.00 C ATOM 799 CG LEU A 50 28.569 22.369 16.390 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.360 22.907 17.161 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.105 23.465 15.469 1.00 0.00 C ATOM 0 H LEU A 50 28.465 22.680 19.389 1.00 0.00 H new ATOM 0 HA LEU A 50 28.421 20.258 17.871 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.066 22.812 17.886 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.494 21.484 16.826 1.00 0.00 H new ATOM 0 HG LEU A 50 28.265 21.506 15.798 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.585 23.210 16.457 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.971 22.128 17.817 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.663 23.767 17.759 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.324 23.770 14.773 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.414 24.323 16.066 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.960 23.085 14.911 1.00 0.00 H new ATOM 813 N GLU A 51 30.331 18.867 18.581 1.00 0.00 N ATOM 814 CA GLU A 51 31.344 17.959 19.092 1.00 0.00 C ATOM 815 C GLU A 51 32.734 18.332 18.578 1.00 0.00 C ATOM 816 O GLU A 51 32.918 18.572 17.386 1.00 0.00 O ATOM 817 CB GLU A 51 30.996 16.535 18.670 1.00 0.00 C ATOM 818 CG GLU A 51 31.765 15.545 19.534 1.00 0.00 C ATOM 819 CD GLU A 51 31.578 14.129 19.000 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.440 13.750 18.772 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.573 13.448 18.817 1.00 0.00 O ATOM 0 H GLU A 51 29.725 18.458 17.870 1.00 0.00 H new ATOM 0 HA GLU A 51 31.362 18.032 20.179 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.924 16.366 18.772 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.244 16.385 17.619 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.824 15.803 19.541 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.416 15.602 20.565 1.00 0.00 H new ATOM 828 N ASP A 52 33.695 18.393 19.491 1.00 0.00 N ATOM 829 CA ASP A 52 35.061 18.756 19.148 1.00 0.00 C ATOM 830 C ASP A 52 35.713 17.762 18.180 1.00 0.00 C ATOM 831 O ASP A 52 36.940 17.691 18.118 1.00 0.00 O ATOM 832 CB ASP A 52 35.901 18.826 20.425 1.00 0.00 C ATOM 833 CG ASP A 52 35.263 19.786 21.423 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.207 20.313 21.116 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.840 19.979 22.481 1.00 0.00 O ATOM 0 H ASP A 52 33.550 18.194 20.481 1.00 0.00 H new ATOM 0 HA ASP A 52 35.021 19.724 18.649 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.986 17.834 20.868 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.912 19.157 20.186 1.00 0.00 H new ATOM 840 N GLY A 53 34.923 16.993 17.420 1.00 0.00 N ATOM 841 CA GLY A 53 35.528 16.032 16.492 1.00 0.00 C ATOM 842 C GLY A 53 34.561 15.529 15.412 1.00 0.00 C ATOM 843 O GLY A 53 34.829 14.506 14.783 1.00 0.00 O ATOM 0 H GLY A 53 33.903 17.014 17.426 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.388 16.497 16.010 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.903 15.179 17.058 1.00 0.00 H new ATOM 847 N ARG A 54 33.449 16.235 15.185 1.00 0.00 N ATOM 848 CA ARG A 54 32.481 15.808 14.152 1.00 0.00 C ATOM 849 C ARG A 54 32.607 16.663 12.893 1.00 0.00 C ATOM 850 O ARG A 54 33.276 17.699 12.891 1.00 0.00 O ATOM 851 CB ARG A 54 31.046 15.892 14.693 1.00 0.00 C ATOM 852 CG ARG A 54 30.055 15.336 13.654 1.00 0.00 C ATOM 853 CD ARG A 54 28.755 14.901 14.338 1.00 0.00 C ATOM 854 NE ARG A 54 29.027 13.909 15.373 1.00 0.00 N ATOM 855 CZ ARG A 54 29.283 12.641 15.060 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.533 11.776 16.005 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.280 12.258 13.811 1.00 0.00 N ATOM 0 H ARG A 54 33.194 17.086 15.686 1.00 0.00 H new ATOM 0 HA ARG A 54 32.707 14.774 13.893 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.966 15.327 15.622 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.797 16.927 14.927 1.00 0.00 H new ATOM 0 HG2 ARG A 54 29.842 16.096 12.902 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.501 14.489 13.133 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.261 15.768 14.778 1.00 0.00 H new ATOM 0 HD3 ARG A 54 28.070 14.485 13.599 1.00 0.00 H new ATOM 0 HE ARG A 54 29.021 14.192 16.353 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.532 12.072 16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 54 29.729 10.804 15.767 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.081 12.932 13.071 1.00 0.00 H new ATOM 0 HH22 ARG A 54 29.477 11.285 13.575 1.00 0.00 H new ATOM 871 N THR A 55 31.950 16.214 11.821 1.00 0.00 N ATOM 872 CA THR A 55 31.964 16.929 10.543 1.00 0.00 C ATOM 873 C THR A 55 30.675 17.728 10.368 1.00 0.00 C ATOM 874 O THR A 55 29.593 17.307 10.808 1.00 0.00 O ATOM 875 CB THR A 55 32.102 15.927 9.392 1.00 0.00 C ATOM 876 OG1 THR A 55 31.125 14.906 9.539 1.00 0.00 O ATOM 877 CG2 THR A 55 33.500 15.304 9.414 1.00 0.00 C ATOM 0 H THR A 55 31.400 15.355 11.813 1.00 0.00 H new ATOM 0 HA THR A 55 32.811 17.615 10.535 1.00 0.00 H new ATOM 0 HB THR A 55 31.954 16.442 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.209 14.264 8.803 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.594 14.592 8.594 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.249 16.088 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.654 14.788 10.362 1.00 0.00 H new ATOM 885 N LEU A 56 30.768 18.871 9.693 1.00 0.00 N ATOM 886 CA LEU A 56 29.591 19.671 9.461 1.00 0.00 C ATOM 887 C LEU A 56 28.558 18.845 8.707 1.00 0.00 C ATOM 888 O LEU A 56 27.367 18.958 8.963 1.00 0.00 O ATOM 889 CB LEU A 56 29.951 20.930 8.669 1.00 0.00 C ATOM 890 CG LEU A 56 30.630 21.959 9.591 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.058 21.506 9.924 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.682 23.307 8.874 1.00 0.00 C ATOM 0 H LEU A 56 31.633 19.250 9.308 1.00 0.00 H new ATOM 0 HA LEU A 56 29.172 19.980 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.617 20.673 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.052 21.362 8.229 1.00 0.00 H new ATOM 0 HG LEU A 56 30.061 22.047 10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.530 22.241 10.577 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.025 20.540 10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.635 21.415 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.161 24.044 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.253 23.206 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.669 23.634 8.640 1.00 0.00 H new ATOM 904 N SER A 57 29.012 18.031 7.754 1.00 0.00 N ATOM 905 CA SER A 57 28.101 17.211 6.956 1.00 0.00 C ATOM 906 C SER A 57 27.045 16.542 7.830 1.00 0.00 C ATOM 907 O SER A 57 25.867 16.476 7.457 1.00 0.00 O ATOM 908 CB SER A 57 28.889 16.139 6.205 1.00 0.00 C ATOM 909 OG SER A 57 28.007 15.412 5.361 1.00 0.00 O ATOM 0 H SER A 57 29.998 17.922 7.517 1.00 0.00 H new ATOM 0 HA SER A 57 27.596 17.867 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.679 16.600 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.372 15.465 6.912 1.00 0.00 H new ATOM 0 HG SER A 57 28.510 14.724 4.877 1.00 0.00 H new ATOM 915 N ASP A 58 27.457 16.073 9.003 1.00 0.00 N ATOM 916 CA ASP A 58 26.517 15.444 9.913 1.00 0.00 C ATOM 917 C ASP A 58 25.485 16.477 10.328 1.00 0.00 C ATOM 918 O ASP A 58 24.300 16.177 10.490 1.00 0.00 O ATOM 919 CB ASP A 58 27.245 14.917 11.153 1.00 0.00 C ATOM 920 CG ASP A 58 28.130 13.728 10.786 1.00 0.00 C ATOM 921 OD1 ASP A 58 27.822 13.064 9.811 1.00 0.00 O ATOM 922 OD2 ASP A 58 29.103 13.501 11.487 1.00 0.00 O ATOM 0 H ASP A 58 28.419 16.116 9.339 1.00 0.00 H new ATOM 0 HA ASP A 58 26.033 14.604 9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.853 15.709 11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 58 26.519 14.618 11.909 1.00 0.00 H new ATOM 927 N TYR A 59 25.962 17.705 10.486 1.00 0.00 N ATOM 928 CA TYR A 59 25.099 18.815 10.882 1.00 0.00 C ATOM 929 C TYR A 59 24.332 19.389 9.679 1.00 0.00 C ATOM 930 O TYR A 59 23.362 20.125 9.856 1.00 0.00 O ATOM 931 CB TYR A 59 25.955 19.916 11.520 1.00 0.00 C ATOM 932 CG TYR A 59 26.284 19.550 12.953 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.604 19.254 13.324 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.265 19.508 13.912 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.900 18.917 14.651 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.562 19.171 15.238 1.00 0.00 C ATOM 937 CZ TYR A 59 26.879 18.876 15.607 1.00 0.00 C ATOM 938 OH TYR A 59 27.170 18.542 16.914 1.00 0.00 O ATOM 0 H TYR A 59 26.940 17.959 10.347 1.00 0.00 H new ATOM 0 HA TYR A 59 24.368 18.442 11.599 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.874 20.050 10.950 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.421 20.866 11.492 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.392 19.286 12.586 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.248 19.736 13.628 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.916 18.689 14.936 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.774 19.139 15.976 1.00 0.00 H new ATOM 0 HH TYR A 59 26.348 18.562 17.447 1.00 0.00 H new ATOM 948 N ASN A 60 24.763 19.057 8.462 1.00 0.00 N ATOM 949 CA ASN A 60 24.089 19.563 7.267 1.00 0.00 C ATOM 950 C ASN A 60 22.744 18.874 7.086 1.00 0.00 C ATOM 951 O ASN A 60 21.718 19.521 6.871 1.00 0.00 O ATOM 952 CB ASN A 60 24.954 19.329 6.023 1.00 0.00 C ATOM 953 CG ASN A 60 26.160 20.265 6.044 1.00 0.00 C ATOM 954 OD1 ASN A 60 26.300 21.075 6.959 1.00 0.00 O ATOM 955 ND2 ASN A 60 27.039 20.205 5.081 1.00 0.00 N ATOM 0 H ASN A 60 25.562 18.450 8.279 1.00 0.00 H new ATOM 0 HA ASN A 60 23.930 20.634 7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.288 18.292 5.992 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.365 19.501 5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 60 27.844 20.831 5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 60 26.920 19.532 4.323 1.00 0.00 H new ATOM 962 N ILE A 61 22.739 17.550 7.197 1.00 0.00 N ATOM 963 CA ILE A 61 21.484 16.810 7.055 1.00 0.00 C ATOM 964 C ILE A 61 20.414 17.458 7.931 1.00 0.00 C ATOM 965 O ILE A 61 19.321 17.796 7.466 1.00 0.00 O ATOM 966 CB ILE A 61 21.689 15.347 7.464 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.641 14.676 6.472 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.345 14.618 7.463 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.061 13.308 7.016 1.00 0.00 C ATOM 0 H ILE A 61 23.563 16.977 7.380 1.00 0.00 H new ATOM 0 HA ILE A 61 21.162 16.837 6.014 1.00 0.00 H new ATOM 0 HB ILE A 61 22.116 15.304 8.466 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.153 14.561 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.519 15.302 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.495 13.578 7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.670 15.099 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.911 14.656 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.739 12.828 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.565 13.436 7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.178 12.684 7.152 1.00 0.00 H new ATOM 981 N GLN A 62 20.752 17.634 9.199 1.00 0.00 N ATOM 982 CA GLN A 62 19.843 18.248 10.155 1.00 0.00 C ATOM 983 C GLN A 62 19.734 19.753 9.888 1.00 0.00 C ATOM 984 O GLN A 62 19.771 20.561 10.818 1.00 0.00 O ATOM 985 CB GLN A 62 20.360 18.003 11.578 1.00 0.00 C ATOM 986 CG GLN A 62 19.235 18.215 12.593 1.00 0.00 C ATOM 987 CD GLN A 62 19.740 17.918 14.000 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.445 16.929 14.212 1.00 0.00 O ATOM 989 NE2 GLN A 62 19.425 18.718 14.982 1.00 0.00 N ATOM 0 H GLN A 62 21.653 17.359 9.591 1.00 0.00 H new ATOM 0 HA GLN A 62 18.854 17.803 10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.749 16.988 11.662 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.187 18.680 11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.872 19.241 12.537 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.392 17.566 12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.842 19.536 14.806 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.762 18.525 15.925 1.00 0.00 H new ATOM 998 N LYS A 63 19.590 20.125 8.614 1.00 0.00 N ATOM 999 CA LYS A 63 19.461 21.537 8.249 1.00 0.00 C ATOM 1000 C LYS A 63 18.050 22.068 8.555 1.00 0.00 C ATOM 1001 O LYS A 63 17.334 22.508 7.650 1.00 0.00 O ATOM 1002 CB LYS A 63 19.776 21.738 6.758 1.00 0.00 C ATOM 1003 CG LYS A 63 19.038 20.688 5.917 1.00 0.00 C ATOM 1004 CD LYS A 63 18.993 21.134 4.450 1.00 0.00 C ATOM 1005 CE LYS A 63 18.397 20.011 3.597 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.359 18.875 3.525 1.00 0.00 N ATOM 0 H LYS A 63 19.560 19.477 7.827 1.00 0.00 H new ATOM 0 HA LYS A 63 20.178 22.098 8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.478 22.739 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.850 21.659 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.541 19.725 5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.025 20.552 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.393 22.039 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.997 21.378 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.453 19.675 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.177 20.379 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.151 18.297 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.329 19.245 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.270 18.290 4.380 1.00 0.00 H new ATOM 1020 N GLU A 64 17.661 22.031 9.827 1.00 0.00 N ATOM 1021 CA GLU A 64 16.336 22.514 10.222 1.00 0.00 C ATOM 1022 C GLU A 64 16.144 23.954 9.755 1.00 0.00 C ATOM 1023 O GLU A 64 15.057 24.342 9.328 1.00 0.00 O ATOM 1024 CB GLU A 64 16.193 22.452 11.745 1.00 0.00 C ATOM 1025 CG GLU A 64 16.226 20.992 12.212 1.00 0.00 C ATOM 1026 CD GLU A 64 14.936 20.286 11.814 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.998 20.971 11.440 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.904 19.069 11.892 1.00 0.00 O ATOM 0 H GLU A 64 18.233 21.677 10.594 1.00 0.00 H new ATOM 0 HA GLU A 64 15.579 21.881 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.999 23.013 12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.257 22.920 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.081 20.480 11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.353 20.951 13.294 1.00 0.00 H new ATOM 1049 N THR A 66 18.882 27.615 8.481 1.00 0.00 N ATOM 1050 CA THR A 66 20.003 27.964 7.608 1.00 0.00 C ATOM 1051 C THR A 66 21.307 27.641 8.326 1.00 0.00 C ATOM 1052 O THR A 66 21.283 27.200 9.475 1.00 0.00 O ATOM 1053 CB THR A 66 19.947 29.460 7.254 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.418 30.187 8.355 1.00 0.00 O ATOM 1055 CG2 THR A 66 19.053 29.660 6.033 1.00 0.00 C ATOM 0 HA THR A 66 19.944 27.389 6.684 1.00 0.00 H new ATOM 0 HB THR A 66 20.951 29.820 7.031 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.880 29.588 8.914 1.00 0.00 H new ATOM 0 HG21 THR A 66 19.013 30.720 5.781 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.459 29.102 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.048 29.301 6.255 1.00 0.00 H new ATOM 1063 N LEU A 67 22.444 27.849 7.659 1.00 0.00 N ATOM 1064 CA LEU A 67 23.733 27.547 8.267 1.00 0.00 C ATOM 1065 C LEU A 67 24.170 28.680 9.190 1.00 0.00 C ATOM 1066 O LEU A 67 25.354 29.018 9.268 1.00 0.00 O ATOM 1067 CB LEU A 67 24.772 27.345 7.154 1.00 0.00 C ATOM 1068 CG LEU A 67 24.161 26.534 6.007 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.230 26.223 4.955 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.595 25.220 6.550 1.00 0.00 C ATOM 0 H LEU A 67 22.495 28.220 6.710 1.00 0.00 H new ATOM 0 HA LEU A 67 23.646 26.638 8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.114 28.312 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.646 26.828 7.551 1.00 0.00 H new ATOM 0 HG LEU A 67 23.363 27.118 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.785 25.646 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.633 27.155 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.034 25.646 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.161 24.645 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.395 24.643 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.825 25.434 7.291 1.00 0.00 H new ATOM 1082 N HIS A 68 23.202 29.249 9.896 1.00 0.00 N ATOM 1083 CA HIS A 68 23.481 30.328 10.833 1.00 0.00 C ATOM 1084 C HIS A 68 23.963 29.731 12.146 1.00 0.00 C ATOM 1085 O HIS A 68 23.304 28.871 12.730 1.00 0.00 O ATOM 1086 CB HIS A 68 22.215 31.151 11.071 1.00 0.00 C ATOM 1087 CG HIS A 68 21.795 31.802 9.784 1.00 0.00 C ATOM 1088 ND1 HIS A 68 22.640 31.885 8.690 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.624 32.408 9.400 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.974 32.522 7.709 1.00 0.00 C ATOM 1091 NE2 HIS A 68 20.741 32.862 8.089 1.00 0.00 N ATOM 0 H HIS A 68 22.219 28.982 9.838 1.00 0.00 H new ATOM 0 HA HIS A 68 24.251 30.980 10.421 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.416 30.510 11.445 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.398 31.909 11.832 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.746 32.516 10.020 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.387 32.732 6.734 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.035 33.350 7.537 1.00 0.00 H new ATOM 1100 N LEU A 69 25.127 30.180 12.596 1.00 0.00 N ATOM 1101 CA LEU A 69 25.720 29.683 13.833 1.00 0.00 C ATOM 1102 C LEU A 69 25.733 30.772 14.894 1.00 0.00 C ATOM 1103 O LEU A 69 26.024 31.933 14.599 1.00 0.00 O ATOM 1104 CB LEU A 69 27.152 29.218 13.528 1.00 0.00 C ATOM 1105 CG LEU A 69 27.873 28.785 14.810 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.067 27.692 15.522 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.260 28.245 14.446 1.00 0.00 C ATOM 0 H LEU A 69 25.683 30.891 12.121 1.00 0.00 H new ATOM 0 HA LEU A 69 25.130 28.851 14.218 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.126 28.387 12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.706 30.025 13.050 1.00 0.00 H new ATOM 0 HG LEU A 69 27.972 29.642 15.477 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.587 27.391 16.431 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.080 28.077 15.779 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.960 26.831 14.863 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.779 27.935 15.353 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.154 27.390 13.778 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.835 29.025 13.948 1.00 0.00 H new ATOM 1119 N VAL A 70 25.440 30.390 16.140 1.00 0.00 N ATOM 1120 CA VAL A 70 25.448 31.339 17.243 1.00 0.00 C ATOM 1121 C VAL A 70 26.711 31.153 18.066 1.00 0.00 C ATOM 1122 O VAL A 70 26.993 30.062 18.558 1.00 0.00 O ATOM 1123 CB VAL A 70 24.207 31.136 18.119 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.334 31.955 19.408 1.00 0.00 C ATOM 1125 CG2 VAL A 70 22.970 31.596 17.346 1.00 0.00 C ATOM 0 H VAL A 70 25.196 29.435 16.404 1.00 0.00 H new ATOM 0 HA VAL A 70 25.430 32.354 16.845 1.00 0.00 H new ATOM 0 HB VAL A 70 24.116 30.081 18.376 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.447 31.804 20.024 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.217 31.632 19.959 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.428 33.012 19.160 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.082 31.455 17.963 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.071 32.651 17.092 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.874 31.010 16.432 1.00 0.00 H new ATOM 1135 N LEU A 71 27.472 32.230 18.206 1.00 0.00 N ATOM 1136 CA LEU A 71 28.719 32.185 18.967 1.00 0.00 C ATOM 1137 C LEU A 71 28.506 32.625 20.411 1.00 0.00 C ATOM 1138 O LEU A 71 28.042 33.735 20.678 1.00 0.00 O ATOM 1139 CB LEU A 71 29.773 33.088 18.309 1.00 0.00 C ATOM 1140 CG LEU A 71 31.189 32.668 18.765 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.728 31.554 17.856 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.132 33.876 18.702 1.00 0.00 C ATOM 0 H LEU A 71 27.252 33.142 17.806 1.00 0.00 H new ATOM 0 HA LEU A 71 29.068 31.152 18.969 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.696 33.019 17.224 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.590 34.129 18.576 1.00 0.00 H new ATOM 0 HG LEU A 71 31.134 32.300 19.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.726 31.266 18.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.065 30.690 17.907 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.776 31.914 16.828 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.129 33.576 19.024 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.178 34.249 17.679 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.760 34.663 19.358 1.00 0.00 H new ATOM 1154 N ARG A 72 28.867 31.747 21.339 1.00 0.00 N ATOM 1155 CA ARG A 72 28.741 32.033 22.767 1.00 0.00 C ATOM 1156 C ARG A 72 30.102 32.462 23.307 1.00 0.00 C ATOM 1157 O ARG A 72 31.116 31.845 22.994 1.00 0.00 O ATOM 1158 CB ARG A 72 28.251 30.760 23.505 1.00 0.00 C ATOM 1159 CG ARG A 72 26.759 30.863 23.847 1.00 0.00 C ATOM 1160 CD ARG A 72 26.574 31.687 25.126 1.00 0.00 C ATOM 1161 NE ARG A 72 26.978 30.907 26.289 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.189 29.962 26.789 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.571 29.275 27.831 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.030 29.723 26.239 1.00 0.00 N ATOM 0 H ARG A 72 29.251 30.826 21.129 1.00 0.00 H new ATOM 0 HA ARG A 72 28.019 32.834 22.927 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.425 29.884 22.881 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.828 30.620 24.419 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.219 31.329 23.023 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.338 29.867 23.982 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.166 32.600 25.068 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.531 31.989 25.225 1.00 0.00 H new ATOM 0 HE ARG A 72 27.881 31.090 26.726 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.476 29.463 28.262 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.965 28.550 28.214 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.731 30.261 25.426 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.424 28.998 26.622 1.00 0.00 H new