USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 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 60 SER OG : rot -58:sc= 0.297 USER MOD Set 1.2: A 64 ASN : amide:sc= -1.23 K(o=-0.93,f=-2.2) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.64 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0205 K(o=-0.02,f=-0.71) USER MOD Single : A 48 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.37) USER MOD Single : A 50 SER OG : rot 104:sc= 1.99 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -40:sc= -0.552 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 13 35.926 6.861 -25.950 1.00 70.12 N ATOM 71 CA ILE A 13 35.766 7.269 -24.560 1.00 72.41 C ATOM 72 C ILE A 13 37.101 7.250 -23.824 1.00 1.34 C ATOM 73 O ILE A 13 37.336 8.052 -22.920 1.00 11.15 O ATOM 74 CB ILE A 13 34.771 6.358 -23.816 1.00 52.32 C ATOM 75 CG1 ILE A 13 34.501 6.900 -22.411 1.00 34.02 C ATOM 76 CG2 ILE A 13 35.305 4.935 -23.747 1.00 2.21 C ATOM 77 CD1 ILE A 13 33.841 5.896 -21.492 1.00 22.13 C ATOM 0 HA ILE A 13 35.375 8.286 -24.574 1.00 72.41 H new ATOM 0 HB ILE A 13 33.831 6.346 -24.367 1.00 52.32 H new ATOM 0 HG12 ILE A 13 35.443 7.222 -21.967 1.00 34.02 H new ATOM 0 HG13 ILE A 13 33.866 7.783 -22.487 1.00 34.02 H new ATOM 0 HG21 ILE A 13 34.591 4.304 -23.218 1.00 2.21 H new ATOM 0 HG22 ILE A 13 35.450 4.552 -24.757 1.00 2.21 H new ATOM 0 HG23 ILE A 13 36.257 4.929 -23.216 1.00 2.21 H new ATOM 0 HD11 ILE A 13 33.680 6.349 -20.514 1.00 22.13 H new ATOM 0 HD12 ILE A 13 32.883 5.592 -21.913 1.00 22.13 H new ATOM 0 HD13 ILE A 13 34.484 5.022 -21.386 1.00 22.13 H new ATOM 89 N VAL A 14 37.976 6.330 -24.219 1.00 20.02 N ATOM 90 CA VAL A 14 39.290 6.208 -23.600 1.00 60.20 C ATOM 91 C VAL A 14 40.168 7.411 -23.931 1.00 63.32 C ATOM 92 O VAL A 14 40.852 7.951 -23.063 1.00 72.35 O ATOM 93 CB VAL A 14 40.007 4.922 -24.053 1.00 12.32 C ATOM 94 CG1 VAL A 14 41.514 5.072 -23.906 1.00 74.32 C ATOM 95 CG2 VAL A 14 39.502 3.724 -23.263 1.00 3.33 C ATOM 0 H VAL A 14 37.798 5.658 -24.965 1.00 20.02 H new ATOM 0 HA VAL A 14 39.129 6.165 -22.523 1.00 60.20 H new ATOM 0 HB VAL A 14 39.784 4.753 -25.106 1.00 12.32 H new ATOM 0 HG11 VAL A 14 42.004 4.154 -24.231 1.00 74.32 H new ATOM 0 HG12 VAL A 14 41.858 5.904 -24.520 1.00 74.32 H new ATOM 0 HG13 VAL A 14 41.760 5.265 -22.862 1.00 74.32 H new ATOM 0 HG21 VAL A 14 40.019 2.824 -23.596 1.00 3.33 H new ATOM 0 HG22 VAL A 14 39.694 3.881 -22.202 1.00 3.33 H new ATOM 0 HG23 VAL A 14 38.430 3.607 -23.424 1.00 3.33 H new ATOM 105 N ASN A 15 40.141 7.825 -25.194 1.00 33.41 N ATOM 106 CA ASN A 15 40.934 8.964 -25.641 1.00 33.23 C ATOM 107 C ASN A 15 40.279 10.278 -25.229 1.00 2.22 C ATOM 108 O ASN A 15 40.927 11.325 -25.199 1.00 31.42 O ATOM 109 CB ASN A 15 41.113 8.923 -27.160 1.00 50.34 C ATOM 110 CG ASN A 15 42.398 8.233 -27.573 1.00 63.34 C ATOM 111 OD1 ASN A 15 43.492 8.664 -27.210 1.00 74.23 O ATOM 112 ND2 ASN A 15 42.270 7.154 -28.337 1.00 31.41 N ATOM 0 H ASN A 15 39.579 7.389 -25.925 1.00 33.41 H new ATOM 0 HA ASN A 15 41.913 8.903 -25.165 1.00 33.23 H new ATOM 0 HB2 ASN A 15 40.265 8.405 -27.609 1.00 50.34 H new ATOM 0 HB3 ASN A 15 41.108 9.940 -27.551 1.00 50.34 H new ATOM 0 HD21 ASN A 15 43.099 6.647 -28.647 1.00 31.41 H new ATOM 0 HD22 ASN A 15 41.343 6.832 -28.614 1.00 31.41 H new ATOM 119 N SER A 16 38.990 10.217 -24.913 1.00 61.25 N ATOM 120 CA SER A 16 38.245 11.402 -24.506 1.00 63.32 C ATOM 121 C SER A 16 38.363 11.629 -23.002 1.00 1.40 C ATOM 122 O SER A 16 38.729 12.716 -22.553 1.00 32.32 O ATOM 123 CB SER A 16 36.772 11.264 -24.897 1.00 71.22 C ATOM 124 OG SER A 16 35.967 12.193 -24.192 1.00 54.23 O ATOM 0 H SER A 16 38.439 9.359 -24.931 1.00 61.25 H new ATOM 0 HA SER A 16 38.672 12.263 -25.021 1.00 63.32 H new ATOM 0 HB2 SER A 16 36.661 11.423 -25.970 1.00 71.22 H new ATOM 0 HB3 SER A 16 36.431 10.250 -24.688 1.00 71.22 H new ATOM 0 HG SER A 16 35.031 12.085 -24.461 1.00 54.23 H new ATOM 130 N VAL A 17 38.051 10.595 -22.228 1.00 34.32 N ATOM 131 CA VAL A 17 38.123 10.679 -20.773 1.00 5.45 C ATOM 132 C VAL A 17 39.560 10.885 -20.306 1.00 21.13 C ATOM 133 O VAL A 17 39.804 11.500 -19.267 1.00 11.24 O ATOM 134 CB VAL A 17 37.556 9.411 -20.109 1.00 50.14 C ATOM 135 CG1 VAL A 17 38.491 8.230 -20.323 1.00 42.15 C ATOM 136 CG2 VAL A 17 37.316 9.650 -18.625 1.00 64.40 C ATOM 0 H VAL A 17 37.746 9.689 -22.583 1.00 34.32 H new ATOM 0 HA VAL A 17 37.520 11.537 -20.475 1.00 5.45 H new ATOM 0 HB VAL A 17 36.600 9.174 -20.576 1.00 50.14 H new ATOM 0 HG11 VAL A 17 38.073 7.344 -19.846 1.00 42.15 H new ATOM 0 HG12 VAL A 17 38.607 8.047 -21.391 1.00 42.15 H new ATOM 0 HG13 VAL A 17 39.464 8.452 -19.885 1.00 42.15 H new ATOM 0 HG21 VAL A 17 36.915 8.744 -18.171 1.00 64.40 H new ATOM 0 HG22 VAL A 17 38.257 9.912 -18.142 1.00 64.40 H new ATOM 0 HG23 VAL A 17 36.604 10.465 -18.498 1.00 64.40 H new ATOM 146 N LEU A 18 40.508 10.366 -21.079 1.00 33.32 N ATOM 147 CA LEU A 18 41.922 10.492 -20.744 1.00 10.24 C ATOM 148 C LEU A 18 42.443 11.882 -21.099 1.00 73.52 C ATOM 149 O LEU A 18 43.209 12.481 -20.343 1.00 62.12 O ATOM 150 CB LEU A 18 42.738 9.427 -21.479 1.00 32.50 C ATOM 151 CG LEU A 18 44.206 9.305 -21.071 1.00 11.41 C ATOM 152 CD1 LEU A 18 44.331 8.612 -19.723 1.00 24.14 C ATOM 153 CD2 LEU A 18 44.995 8.556 -22.135 1.00 11.24 C ATOM 0 H LEU A 18 40.323 9.854 -21.942 1.00 33.32 H new ATOM 0 HA LEU A 18 42.030 10.346 -19.669 1.00 10.24 H new ATOM 0 HB2 LEU A 18 42.258 8.461 -21.326 1.00 32.50 H new ATOM 0 HB3 LEU A 18 42.695 9.639 -22.547 1.00 32.50 H new ATOM 0 HG LEU A 18 44.622 10.308 -20.979 1.00 11.41 H new ATOM 0 HD11 LEU A 18 45.383 8.535 -19.450 1.00 24.14 H new ATOM 0 HD12 LEU A 18 43.801 9.190 -18.966 1.00 24.14 H new ATOM 0 HD13 LEU A 18 43.898 7.614 -19.786 1.00 24.14 H new ATOM 0 HD21 LEU A 18 46.038 8.479 -21.828 1.00 11.24 H new ATOM 0 HD22 LEU A 18 44.579 7.557 -22.261 1.00 11.24 H new ATOM 0 HD23 LEU A 18 44.934 9.096 -23.080 1.00 11.24 H new ATOM 165 N LEU A 19 42.022 12.389 -22.252 1.00 20.44 N ATOM 166 CA LEU A 19 42.444 13.709 -22.707 1.00 14.23 C ATOM 167 C LEU A 19 41.764 14.808 -21.895 1.00 35.24 C ATOM 168 O LEU A 19 42.412 15.757 -21.452 1.00 74.45 O ATOM 169 CB LEU A 19 42.125 13.886 -24.192 1.00 24.43 C ATOM 170 CG LEU A 19 43.108 13.242 -25.171 1.00 63.32 C ATOM 171 CD1 LEU A 19 42.589 13.348 -26.597 1.00 73.03 C ATOM 172 CD2 LEU A 19 44.479 13.887 -25.051 1.00 13.55 C ATOM 0 H LEU A 19 41.389 11.906 -22.889 1.00 20.44 H new ATOM 0 HA LEU A 19 43.521 13.788 -22.562 1.00 14.23 H new ATOM 0 HB2 LEU A 19 41.133 13.476 -24.381 1.00 24.43 H new ATOM 0 HB3 LEU A 19 42.075 14.953 -24.408 1.00 24.43 H new ATOM 0 HG LEU A 19 43.202 12.186 -24.919 1.00 63.32 H new ATOM 0 HD11 LEU A 19 43.302 12.884 -27.279 1.00 73.03 H new ATOM 0 HD12 LEU A 19 41.629 12.838 -26.674 1.00 73.03 H new ATOM 0 HD13 LEU A 19 42.464 14.398 -26.862 1.00 73.03 H new ATOM 0 HD21 LEU A 19 45.165 13.416 -25.755 1.00 13.55 H new ATOM 0 HD22 LEU A 19 44.402 14.951 -25.276 1.00 13.55 H new ATOM 0 HD23 LEU A 19 44.855 13.757 -24.036 1.00 13.55 H new ATOM 184 N PHE A 20 40.457 14.671 -21.703 1.00 72.14 N ATOM 185 CA PHE A 20 39.689 15.651 -20.943 1.00 31.22 C ATOM 186 C PHE A 20 40.346 15.929 -19.595 1.00 0.42 C ATOM 187 O PHE A 20 40.439 17.080 -19.162 1.00 62.30 O ATOM 188 CB PHE A 20 38.257 15.155 -20.732 1.00 2.13 C ATOM 189 CG PHE A 20 37.329 16.212 -20.205 1.00 45.03 C ATOM 190 CD1 PHE A 20 37.402 16.622 -18.884 1.00 22.45 C ATOM 191 CD2 PHE A 20 36.382 16.796 -21.032 1.00 62.53 C ATOM 192 CE1 PHE A 20 36.550 17.593 -18.396 1.00 41.51 C ATOM 193 CE2 PHE A 20 35.527 17.769 -20.550 1.00 63.21 C ATOM 194 CZ PHE A 20 35.610 18.168 -19.229 1.00 24.13 C ATOM 0 H PHE A 20 39.907 13.891 -22.063 1.00 72.14 H new ATOM 0 HA PHE A 20 39.665 16.579 -21.514 1.00 31.22 H new ATOM 0 HB2 PHE A 20 37.868 14.780 -21.678 1.00 2.13 H new ATOM 0 HB3 PHE A 20 38.270 14.315 -20.037 1.00 2.13 H new ATOM 0 HD1 PHE A 20 38.135 16.177 -18.227 1.00 22.45 H new ATOM 0 HD2 PHE A 20 36.312 16.487 -22.065 1.00 62.53 H new ATOM 0 HE1 PHE A 20 36.619 17.903 -17.364 1.00 41.51 H new ATOM 0 HE2 PHE A 20 34.795 18.217 -21.205 1.00 63.21 H new ATOM 0 HZ PHE A 20 34.942 18.927 -18.849 1.00 24.13 H new ATOM 204 N LEU A 21 40.802 14.870 -18.934 1.00 45.01 N ATOM 205 CA LEU A 21 41.450 15.000 -17.634 1.00 23.15 C ATOM 206 C LEU A 21 42.675 15.905 -17.725 1.00 54.25 C ATOM 207 O LEU A 21 42.764 16.916 -17.028 1.00 33.33 O ATOM 208 CB LEU A 21 41.857 13.622 -17.107 1.00 54.43 C ATOM 209 CG LEU A 21 40.930 13.004 -16.061 1.00 40.24 C ATOM 210 CD1 LEU A 21 41.018 13.769 -14.749 1.00 50.31 C ATOM 211 CD2 LEU A 21 39.495 12.977 -16.569 1.00 32.32 C ATOM 0 H LEU A 21 40.735 13.912 -19.277 1.00 45.01 H new ATOM 0 HA LEU A 21 40.738 15.452 -16.943 1.00 23.15 H new ATOM 0 HB2 LEU A 21 41.926 12.937 -17.952 1.00 54.43 H new ATOM 0 HB3 LEU A 21 42.856 13.700 -16.678 1.00 54.43 H new ATOM 0 HG LEU A 21 41.251 11.978 -15.881 1.00 40.24 H new ATOM 0 HD11 LEU A 21 40.351 13.314 -14.017 1.00 50.31 H new ATOM 0 HD12 LEU A 21 42.042 13.736 -14.377 1.00 50.31 H new ATOM 0 HD13 LEU A 21 40.724 14.806 -14.912 1.00 50.31 H new ATOM 0 HD21 LEU A 21 38.849 12.534 -15.811 1.00 32.32 H new ATOM 0 HD22 LEU A 21 39.164 13.994 -16.778 1.00 32.32 H new ATOM 0 HD23 LEU A 21 39.443 12.384 -17.482 1.00 32.32 H new ATOM 223 N ALA A 22 43.614 15.536 -18.589 1.00 14.24 N ATOM 224 CA ALA A 22 44.832 16.317 -18.773 1.00 62.24 C ATOM 225 C ALA A 22 44.516 17.701 -19.331 1.00 3.43 C ATOM 226 O ALA A 22 45.329 18.621 -19.232 1.00 50.45 O ATOM 227 CB ALA A 22 45.796 15.582 -19.692 1.00 44.45 C ATOM 0 H ALA A 22 43.555 14.702 -19.173 1.00 14.24 H new ATOM 0 HA ALA A 22 45.304 16.446 -17.799 1.00 62.24 H new ATOM 0 HB1 ALA A 22 46.701 16.176 -19.821 1.00 44.45 H new ATOM 0 HB2 ALA A 22 46.054 14.618 -19.253 1.00 44.45 H new ATOM 0 HB3 ALA A 22 45.325 15.424 -20.662 1.00 44.45 H new ATOM 233 N PHE A 23 43.332 17.842 -19.918 1.00 20.24 N ATOM 234 CA PHE A 23 42.910 19.114 -20.494 1.00 2.24 C ATOM 235 C PHE A 23 42.465 20.083 -19.403 1.00 72.41 C ATOM 236 O PHE A 23 42.876 21.244 -19.382 1.00 24.52 O ATOM 237 CB PHE A 23 41.772 18.894 -21.493 1.00 34.44 C ATOM 238 CG PHE A 23 41.748 19.903 -22.605 1.00 54.14 C ATOM 239 CD1 PHE A 23 42.542 19.736 -23.727 1.00 2.12 C ATOM 240 CD2 PHE A 23 40.929 21.018 -22.528 1.00 55.43 C ATOM 241 CE1 PHE A 23 42.521 20.663 -24.753 1.00 12.11 C ATOM 242 CE2 PHE A 23 40.903 21.948 -23.550 1.00 73.03 C ATOM 243 CZ PHE A 23 41.701 21.771 -24.663 1.00 2.22 C ATOM 0 H PHE A 23 42.648 17.091 -20.007 1.00 20.24 H new ATOM 0 HA PHE A 23 43.762 19.549 -21.016 1.00 2.24 H new ATOM 0 HB2 PHE A 23 41.863 17.896 -21.921 1.00 34.44 H new ATOM 0 HB3 PHE A 23 40.821 18.928 -20.962 1.00 34.44 H new ATOM 0 HD1 PHE A 23 43.185 18.872 -23.802 1.00 2.12 H new ATOM 0 HD2 PHE A 23 40.304 21.162 -21.659 1.00 55.43 H new ATOM 0 HE1 PHE A 23 43.145 20.521 -25.623 1.00 12.11 H new ATOM 0 HE2 PHE A 23 40.259 22.812 -23.478 1.00 73.03 H new ATOM 0 HZ PHE A 23 41.684 22.498 -25.462 1.00 2.22 H new ATOM 253 N VAL A 24 41.620 19.599 -18.498 1.00 33.43 N ATOM 254 CA VAL A 24 41.119 20.421 -17.403 1.00 22.11 C ATOM 255 C VAL A 24 42.258 21.131 -16.682 1.00 1.34 C ATOM 256 O VAL A 24 42.280 22.358 -16.590 1.00 32.22 O ATOM 257 CB VAL A 24 40.328 19.578 -16.386 1.00 64.11 C ATOM 258 CG1 VAL A 24 39.844 20.445 -15.235 1.00 52.54 C ATOM 259 CG2 VAL A 24 39.159 18.880 -17.066 1.00 12.32 C ATOM 0 H VAL A 24 41.268 18.642 -18.502 1.00 33.43 H new ATOM 0 HA VAL A 24 40.454 21.164 -17.844 1.00 22.11 H new ATOM 0 HB VAL A 24 40.992 18.814 -15.980 1.00 64.11 H new ATOM 0 HG11 VAL A 24 39.287 19.832 -14.527 1.00 52.54 H new ATOM 0 HG12 VAL A 24 40.701 20.893 -14.732 1.00 52.54 H new ATOM 0 HG13 VAL A 24 39.197 21.233 -15.620 1.00 52.54 H new ATOM 0 HG21 VAL A 24 38.611 18.289 -16.332 1.00 12.32 H new ATOM 0 HG22 VAL A 24 38.493 19.625 -17.501 1.00 12.32 H new ATOM 0 HG23 VAL A 24 39.534 18.225 -17.853 1.00 12.32 H new ATOM 269 N VAL A 25 43.206 20.351 -16.172 1.00 71.33 N ATOM 270 CA VAL A 25 44.351 20.904 -15.459 1.00 41.41 C ATOM 271 C VAL A 25 45.015 22.015 -16.265 1.00 54.04 C ATOM 272 O VAL A 25 45.363 23.065 -15.725 1.00 55.14 O ATOM 273 CB VAL A 25 45.396 19.817 -15.147 1.00 13.01 C ATOM 274 CG1 VAL A 25 44.885 18.879 -14.064 1.00 52.34 C ATOM 275 CG2 VAL A 25 45.755 19.045 -16.406 1.00 5.42 C ATOM 0 H VAL A 25 43.203 19.333 -16.240 1.00 71.33 H new ATOM 0 HA VAL A 25 43.973 21.314 -14.522 1.00 41.41 H new ATOM 0 HB VAL A 25 46.299 20.303 -14.777 1.00 13.01 H new ATOM 0 HG11 VAL A 25 45.637 18.118 -13.857 1.00 52.34 H new ATOM 0 HG12 VAL A 25 44.684 19.447 -13.156 1.00 52.34 H new ATOM 0 HG13 VAL A 25 43.967 18.399 -14.402 1.00 52.34 H new ATOM 0 HG21 VAL A 25 46.495 18.281 -16.166 1.00 5.42 H new ATOM 0 HG22 VAL A 25 44.861 18.570 -16.809 1.00 5.42 H new ATOM 0 HG23 VAL A 25 46.168 19.729 -17.147 1.00 5.42 H new ATOM 285 N PHE A 26 45.186 21.778 -17.561 1.00 5.03 N ATOM 286 CA PHE A 26 45.808 22.758 -18.443 1.00 12.23 C ATOM 287 C PHE A 26 44.962 24.024 -18.532 1.00 54.24 C ATOM 288 O PHE A 26 45.485 25.139 -18.498 1.00 72.22 O ATOM 289 CB PHE A 26 46.008 22.166 -19.839 1.00 21.42 C ATOM 290 CG PHE A 26 47.429 21.771 -20.125 1.00 33.41 C ATOM 291 CD1 PHE A 26 47.913 20.537 -19.720 1.00 25.25 C ATOM 292 CD2 PHE A 26 48.280 22.632 -20.797 1.00 53.41 C ATOM 293 CE1 PHE A 26 49.220 20.171 -19.982 1.00 72.13 C ATOM 294 CE2 PHE A 26 49.588 22.271 -21.061 1.00 51.40 C ATOM 295 CZ PHE A 26 50.058 21.039 -20.653 1.00 25.41 C ATOM 0 H PHE A 26 44.902 20.915 -18.024 1.00 5.03 H new ATOM 0 HA PHE A 26 46.780 23.020 -18.025 1.00 12.23 H new ATOM 0 HB2 PHE A 26 45.367 21.291 -19.949 1.00 21.42 H new ATOM 0 HB3 PHE A 26 45.685 22.894 -20.583 1.00 21.42 H new ATOM 0 HD1 PHE A 26 47.262 19.854 -19.194 1.00 25.25 H new ATOM 0 HD2 PHE A 26 47.918 23.597 -21.119 1.00 53.41 H new ATOM 0 HE1 PHE A 26 49.585 19.206 -19.662 1.00 72.13 H new ATOM 0 HE2 PHE A 26 50.241 22.952 -21.586 1.00 51.40 H new ATOM 0 HZ PHE A 26 51.079 20.755 -20.858 1.00 25.41 H new ATOM 305 N LEU A 27 43.650 23.845 -18.647 1.00 73.35 N ATOM 306 CA LEU A 27 42.729 24.972 -18.741 1.00 33.12 C ATOM 307 C LEU A 27 42.693 25.757 -17.434 1.00 0.12 C ATOM 308 O LEU A 27 42.623 26.987 -17.437 1.00 62.10 O ATOM 309 CB LEU A 27 41.324 24.479 -19.092 1.00 43.41 C ATOM 310 CG LEU A 27 41.168 23.817 -20.461 1.00 51.14 C ATOM 311 CD1 LEU A 27 39.704 23.523 -20.747 1.00 44.33 C ATOM 312 CD2 LEU A 27 41.760 24.698 -21.551 1.00 4.00 C ATOM 0 H LEU A 27 43.201 22.930 -18.677 1.00 73.35 H new ATOM 0 HA LEU A 27 43.083 25.634 -19.531 1.00 33.12 H new ATOM 0 HB2 LEU A 27 41.009 23.768 -18.329 1.00 43.41 H new ATOM 0 HB3 LEU A 27 40.640 25.326 -19.040 1.00 43.41 H new ATOM 0 HG LEU A 27 41.712 22.873 -20.451 1.00 51.14 H new ATOM 0 HD11 LEU A 27 39.612 23.052 -21.726 1.00 44.33 H new ATOM 0 HD12 LEU A 27 39.312 22.852 -19.983 1.00 44.33 H new ATOM 0 HD13 LEU A 27 39.137 24.454 -20.738 1.00 44.33 H new ATOM 0 HD21 LEU A 27 41.640 24.210 -22.518 1.00 4.00 H new ATOM 0 HD22 LEU A 27 41.245 25.659 -21.562 1.00 4.00 H new ATOM 0 HD23 LEU A 27 42.820 24.857 -21.354 1.00 4.00 H new ATOM 324 N LEU A 28 42.744 25.040 -16.317 1.00 31.43 N ATOM 325 CA LEU A 28 42.720 25.669 -15.001 1.00 51.13 C ATOM 326 C LEU A 28 43.683 26.849 -14.944 1.00 4.52 C ATOM 327 O LEU A 28 43.282 27.979 -14.662 1.00 72.42 O ATOM 328 CB LEU A 28 43.080 24.649 -13.920 1.00 12.34 C ATOM 329 CG LEU A 28 41.998 23.626 -13.574 1.00 21.41 C ATOM 330 CD1 LEU A 28 42.482 22.685 -12.482 1.00 0.12 C ATOM 331 CD2 LEU A 28 40.717 24.327 -13.148 1.00 51.23 C ATOM 0 H LEU A 28 42.802 24.022 -16.296 1.00 31.43 H new ATOM 0 HA LEU A 28 41.711 26.039 -14.821 1.00 51.13 H new ATOM 0 HB2 LEU A 28 43.972 24.110 -14.240 1.00 12.34 H new ATOM 0 HB3 LEU A 28 43.343 25.190 -13.011 1.00 12.34 H new ATOM 0 HG LEU A 28 41.786 23.036 -14.465 1.00 21.41 H new ATOM 0 HD11 LEU A 28 41.698 21.964 -12.249 1.00 0.12 H new ATOM 0 HD12 LEU A 28 43.371 22.156 -12.825 1.00 0.12 H new ATOM 0 HD13 LEU A 28 42.724 23.259 -11.588 1.00 0.12 H new ATOM 0 HD21 LEU A 28 39.958 23.583 -12.906 1.00 51.23 H new ATOM 0 HD22 LEU A 28 40.914 24.943 -12.271 1.00 51.23 H new ATOM 0 HD23 LEU A 28 40.360 24.958 -13.962 1.00 51.23 H new ATOM 343 N VAL A 29 44.956 26.582 -15.217 1.00 1.35 N ATOM 344 CA VAL A 29 45.977 27.622 -15.201 1.00 73.14 C ATOM 345 C VAL A 29 45.926 28.463 -16.472 1.00 32.44 C ATOM 346 O VAL A 29 45.962 29.693 -16.419 1.00 21.31 O ATOM 347 CB VAL A 29 47.388 27.023 -15.051 1.00 71.43 C ATOM 348 CG1 VAL A 29 47.672 26.040 -16.177 1.00 10.21 C ATOM 349 CG2 VAL A 29 48.434 28.125 -15.019 1.00 14.43 C ATOM 0 H VAL A 29 45.305 25.653 -15.452 1.00 1.35 H new ATOM 0 HA VAL A 29 45.767 28.257 -14.340 1.00 73.14 H new ATOM 0 HB VAL A 29 47.436 26.481 -14.106 1.00 71.43 H new ATOM 0 HG11 VAL A 29 48.673 25.627 -16.055 1.00 10.21 H new ATOM 0 HG12 VAL A 29 46.940 25.233 -16.149 1.00 10.21 H new ATOM 0 HG13 VAL A 29 47.607 26.555 -17.135 1.00 10.21 H new ATOM 0 HG21 VAL A 29 49.425 27.683 -14.913 1.00 14.43 H new ATOM 0 HG22 VAL A 29 48.389 28.696 -15.946 1.00 14.43 H new ATOM 0 HG23 VAL A 29 48.239 28.787 -14.175 1.00 14.43 H new ATOM 359 N THR A 30 45.843 27.791 -17.616 1.00 61.25 N ATOM 360 CA THR A 30 45.787 28.475 -18.901 1.00 23.44 C ATOM 361 C THR A 30 44.767 29.607 -18.879 1.00 75.14 C ATOM 362 O THR A 30 44.930 30.618 -19.563 1.00 72.11 O ATOM 363 CB THR A 30 45.430 27.501 -20.041 1.00 21.24 C ATOM 364 OG1 THR A 30 46.545 26.645 -20.321 1.00 51.25 O ATOM 365 CG2 THR A 30 45.040 28.261 -21.299 1.00 23.33 C ATOM 0 H THR A 30 45.813 26.773 -17.678 1.00 61.25 H new ATOM 0 HA THR A 30 46.780 28.888 -19.082 1.00 23.44 H new ATOM 0 HB THR A 30 44.580 26.898 -19.722 1.00 21.24 H new ATOM 0 HG1 THR A 30 46.499 25.850 -19.750 1.00 51.25 H new ATOM 0 HG21 THR A 30 44.792 27.553 -22.090 1.00 23.33 H new ATOM 0 HG22 THR A 30 44.174 28.890 -21.091 1.00 23.33 H new ATOM 0 HG23 THR A 30 45.873 28.886 -21.620 1.00 23.33 H new ATOM 373 N LEU A 31 43.713 29.432 -18.087 1.00 12.34 N ATOM 374 CA LEU A 31 42.666 30.441 -17.974 1.00 31.30 C ATOM 375 C LEU A 31 43.218 31.737 -17.388 1.00 24.22 C ATOM 376 O LEU A 31 43.288 32.758 -18.071 1.00 5.12 O ATOM 377 CB LEU A 31 41.522 29.920 -17.103 1.00 54.35 C ATOM 378 CG LEU A 31 40.144 30.527 -17.371 1.00 21.34 C ATOM 379 CD1 LEU A 31 40.160 32.025 -17.111 1.00 3.01 C ATOM 380 CD2 LEU A 31 39.702 30.236 -18.798 1.00 44.11 C ATOM 0 H LEU A 31 43.562 28.601 -17.515 1.00 12.34 H new ATOM 0 HA LEU A 31 42.287 30.650 -18.974 1.00 31.30 H new ATOM 0 HB2 LEU A 31 41.453 28.840 -17.236 1.00 54.35 H new ATOM 0 HB3 LEU A 31 41.778 30.097 -16.058 1.00 54.35 H new ATOM 0 HG LEU A 31 39.428 30.069 -16.689 1.00 21.34 H new ATOM 0 HD11 LEU A 31 39.171 32.439 -17.307 1.00 3.01 H new ATOM 0 HD12 LEU A 31 40.432 32.211 -16.072 1.00 3.01 H new ATOM 0 HD13 LEU A 31 40.889 32.500 -17.767 1.00 3.01 H new ATOM 0 HD21 LEU A 31 38.720 30.675 -18.971 1.00 44.11 H new ATOM 0 HD22 LEU A 31 40.420 30.666 -19.496 1.00 44.11 H new ATOM 0 HD23 LEU A 31 39.649 29.158 -18.950 1.00 44.11 H new ATOM 392 N ALA A 32 43.611 31.685 -16.120 1.00 44.53 N ATOM 393 CA ALA A 32 44.161 32.854 -15.444 1.00 30.22 C ATOM 394 C ALA A 32 45.074 33.647 -16.373 1.00 50.11 C ATOM 395 O ALA A 32 45.029 34.878 -16.399 1.00 31.05 O ATOM 396 CB ALA A 32 44.917 32.433 -14.193 1.00 33.34 C ATOM 0 H ALA A 32 43.559 30.847 -15.540 1.00 44.53 H new ATOM 0 HA ALA A 32 43.331 33.499 -15.155 1.00 30.22 H new ATOM 0 HB1 ALA A 32 45.322 33.316 -13.698 1.00 33.34 H new ATOM 0 HB2 ALA A 32 44.238 31.916 -13.514 1.00 33.34 H new ATOM 0 HB3 ALA A 32 45.733 31.765 -14.469 1.00 33.34 H new ATOM 402 N ILE A 33 45.899 32.936 -17.133 1.00 51.01 N ATOM 403 CA ILE A 33 46.822 33.574 -18.063 1.00 42.43 C ATOM 404 C ILE A 33 46.119 34.657 -18.878 1.00 20.15 C ATOM 405 O ILE A 33 46.579 35.798 -18.942 1.00 72.20 O ATOM 406 CB ILE A 33 47.449 32.550 -19.026 1.00 31.13 C ATOM 407 CG1 ILE A 33 48.071 31.393 -18.240 1.00 42.01 C ATOM 408 CG2 ILE A 33 48.494 33.221 -19.906 1.00 64.12 C ATOM 409 CD1 ILE A 33 48.912 30.468 -19.091 1.00 33.11 C ATOM 0 H ILE A 33 45.947 31.917 -17.123 1.00 51.01 H new ATOM 0 HA ILE A 33 47.612 34.027 -17.463 1.00 42.43 H new ATOM 0 HB ILE A 33 46.665 32.149 -19.668 1.00 31.13 H new ATOM 0 HG12 ILE A 33 48.689 31.799 -17.439 1.00 42.01 H new ATOM 0 HG13 ILE A 33 47.276 30.816 -17.768 1.00 42.01 H new ATOM 0 HG21 ILE A 33 48.928 32.484 -20.581 1.00 64.12 H new ATOM 0 HG22 ILE A 33 48.025 34.014 -20.488 1.00 64.12 H new ATOM 0 HG23 ILE A 33 49.278 33.646 -19.280 1.00 64.12 H new ATOM 0 HD11 ILE A 33 49.321 29.672 -18.468 1.00 33.11 H new ATOM 0 HD12 ILE A 33 48.293 30.033 -19.876 1.00 33.11 H new ATOM 0 HD13 ILE A 33 49.729 31.031 -19.543 1.00 33.11 H new ATOM 421 N LEU A 34 45.003 34.292 -19.498 1.00 73.44 N ATOM 422 CA LEU A 34 44.234 35.231 -20.306 1.00 25.42 C ATOM 423 C LEU A 34 44.005 36.537 -19.554 1.00 42.01 C ATOM 424 O LEU A 34 43.857 37.599 -20.160 1.00 51.34 O ATOM 425 CB LEU A 34 42.892 34.615 -20.702 1.00 22.41 C ATOM 426 CG LEU A 34 42.305 35.082 -22.035 1.00 11.12 C ATOM 427 CD1 LEU A 34 41.198 34.144 -22.490 1.00 71.12 C ATOM 428 CD2 LEU A 34 41.785 36.508 -21.919 1.00 33.45 C ATOM 0 H LEU A 34 44.610 33.352 -19.457 1.00 73.44 H new ATOM 0 HA LEU A 34 44.807 35.448 -21.208 1.00 25.42 H new ATOM 0 HB2 LEU A 34 43.009 33.532 -20.739 1.00 22.41 H new ATOM 0 HB3 LEU A 34 42.170 34.831 -19.915 1.00 22.41 H new ATOM 0 HG LEU A 34 43.097 35.065 -22.784 1.00 11.12 H new ATOM 0 HD11 LEU A 34 40.793 34.493 -23.440 1.00 71.12 H new ATOM 0 HD12 LEU A 34 41.601 33.139 -22.615 1.00 71.12 H new ATOM 0 HD13 LEU A 34 40.405 34.127 -21.742 1.00 71.12 H new ATOM 0 HD21 LEU A 34 41.371 36.823 -22.877 1.00 33.45 H new ATOM 0 HD22 LEU A 34 41.008 36.551 -21.156 1.00 33.45 H new ATOM 0 HD23 LEU A 34 42.603 37.172 -21.641 1.00 33.45 H new ATOM 440 N THR A 35 43.978 36.453 -18.228 1.00 34.21 N ATOM 441 CA THR A 35 43.768 37.628 -17.391 1.00 15.22 C ATOM 442 C THR A 35 44.863 38.665 -17.614 1.00 12.03 C ATOM 443 O THR A 35 44.589 39.860 -17.712 1.00 0.02 O ATOM 444 CB THR A 35 43.728 37.254 -15.898 1.00 55.12 C ATOM 445 OG1 THR A 35 42.871 36.125 -15.699 1.00 73.34 O ATOM 446 CG2 THR A 35 43.235 38.425 -15.059 1.00 44.43 C ATOM 0 H THR A 35 44.099 35.583 -17.710 1.00 34.21 H new ATOM 0 HA THR A 35 42.806 38.052 -17.678 1.00 15.22 H new ATOM 0 HB THR A 35 44.740 37.002 -15.582 1.00 55.12 H new ATOM 0 HG1 THR A 35 43.304 35.320 -16.052 1.00 73.34 H new ATOM 0 HG21 THR A 35 43.215 38.137 -14.008 1.00 44.43 H new ATOM 0 HG22 THR A 35 43.906 39.274 -15.190 1.00 44.43 H new ATOM 0 HG23 THR A 35 42.231 38.704 -15.378 1.00 44.43 H new ATOM 454 N ALA A 36 46.106 38.199 -17.693 1.00 25.10 N ATOM 455 CA ALA A 36 47.242 39.086 -17.907 1.00 23.22 C ATOM 456 C ALA A 36 46.959 40.080 -19.028 1.00 22.12 C ATOM 457 O ALA A 36 47.439 41.214 -19.002 1.00 43.33 O ATOM 458 CB ALA A 36 48.492 38.276 -18.221 1.00 53.31 C ATOM 0 H ALA A 36 46.351 37.212 -17.612 1.00 25.10 H new ATOM 0 HA ALA A 36 47.408 39.651 -16.990 1.00 23.22 H new ATOM 0 HB1 ALA A 36 49.333 38.951 -18.379 1.00 53.31 H new ATOM 0 HB2 ALA A 36 48.713 37.610 -17.387 1.00 53.31 H new ATOM 0 HB3 ALA A 36 48.326 37.686 -19.123 1.00 53.31 H new ATOM 464 N LEU A 37 46.178 39.649 -20.013 1.00 33.30 N ATOM 465 CA LEU A 37 45.831 40.501 -21.144 1.00 52.15 C ATOM 466 C LEU A 37 44.825 41.572 -20.731 1.00 10.05 C ATOM 467 O LEU A 37 44.968 42.741 -21.089 1.00 63.24 O ATOM 468 CB LEU A 37 45.257 39.660 -22.285 1.00 61.42 C ATOM 469 CG LEU A 37 46.277 38.930 -23.160 1.00 75.20 C ATOM 470 CD1 LEU A 37 47.248 39.919 -23.786 1.00 70.11 C ATOM 471 CD2 LEU A 37 47.028 37.886 -22.345 1.00 45.44 C ATOM 0 H LEU A 37 45.773 38.714 -20.051 1.00 33.30 H new ATOM 0 HA LEU A 37 46.740 40.995 -21.487 1.00 52.15 H new ATOM 0 HB2 LEU A 37 44.579 38.921 -21.859 1.00 61.42 H new ATOM 0 HB3 LEU A 37 44.659 40.310 -22.924 1.00 61.42 H new ATOM 0 HG LEU A 37 45.742 38.421 -23.961 1.00 75.20 H new ATOM 0 HD11 LEU A 37 47.966 39.381 -24.405 1.00 70.11 H new ATOM 0 HD12 LEU A 37 46.697 40.629 -24.403 1.00 70.11 H new ATOM 0 HD13 LEU A 37 47.778 40.456 -22.999 1.00 70.11 H new ATOM 0 HD21 LEU A 37 47.750 37.376 -22.983 1.00 45.44 H new ATOM 0 HD22 LEU A 37 47.552 38.374 -21.523 1.00 45.44 H new ATOM 0 HD23 LEU A 37 46.321 37.159 -21.944 1.00 45.44 H new ATOM 483 N ARG A 38 43.813 41.164 -19.974 1.00 71.33 N ATOM 484 CA ARG A 38 42.784 42.088 -19.511 1.00 31.31 C ATOM 485 C ARG A 38 43.410 43.309 -18.845 1.00 15.24 C ATOM 486 O ARG A 38 43.191 44.444 -19.271 1.00 53.01 O ATOM 487 CB ARG A 38 41.841 41.387 -18.532 1.00 33.11 C ATOM 488 CG ARG A 38 40.371 41.664 -18.798 1.00 62.20 C ATOM 489 CD ARG A 38 39.848 40.831 -19.957 1.00 72.51 C ATOM 490 NE ARG A 38 39.498 39.475 -19.542 1.00 62.40 N ATOM 491 CZ ARG A 38 39.176 38.505 -20.392 1.00 53.32 C ATOM 492 NH1 ARG A 38 39.158 38.742 -21.696 1.00 11.01 N ATOM 493 NH2 ARG A 38 38.870 37.297 -19.938 1.00 75.13 N ATOM 0 H ARG A 38 43.683 40.200 -19.668 1.00 71.33 H new ATOM 0 HA ARG A 38 42.214 42.421 -20.378 1.00 31.31 H new ATOM 0 HB2 ARG A 38 42.014 40.312 -18.581 1.00 33.11 H new ATOM 0 HB3 ARG A 38 42.084 41.703 -17.517 1.00 33.11 H new ATOM 0 HG2 ARG A 38 39.791 41.447 -17.901 1.00 62.20 H new ATOM 0 HG3 ARG A 38 40.233 42.723 -19.018 1.00 62.20 H new ATOM 0 HD2 ARG A 38 38.971 41.317 -20.386 1.00 72.51 H new ATOM 0 HD3 ARG A 38 40.603 40.786 -20.741 1.00 72.51 H new ATOM 0 HE ARG A 38 39.501 39.260 -18.545 1.00 62.40 H new ATOM 0 HH11 ARG A 38 39.392 39.670 -22.049 1.00 11.01 H new ATOM 0 HH12 ARG A 38 38.911 37.996 -22.347 1.00 11.01 H new ATOM 0 HH21 ARG A 38 38.881 37.111 -18.935 1.00 75.13 H new ATOM 0 HH22 ARG A 38 38.623 36.554 -20.592 1.00 75.13 H new ATOM 507 N LEU A 39 44.192 43.070 -17.797 1.00 61.42 N ATOM 508 CA LEU A 39 44.851 44.149 -17.071 1.00 12.44 C ATOM 509 C LEU A 39 45.596 45.075 -18.028 1.00 62.02 C ATOM 510 O LEU A 39 45.720 46.273 -17.777 1.00 62.40 O ATOM 511 CB LEU A 39 45.823 43.576 -16.038 1.00 14.52 C ATOM 512 CG LEU A 39 45.195 42.777 -14.896 1.00 33.30 C ATOM 513 CD1 LEU A 39 45.129 41.300 -15.252 1.00 43.33 C ATOM 514 CD2 LEU A 39 45.977 42.982 -13.607 1.00 4.41 C ATOM 0 H LEU A 39 44.385 42.137 -17.432 1.00 61.42 H new ATOM 0 HA LEU A 39 44.084 44.729 -16.557 1.00 12.44 H new ATOM 0 HB2 LEU A 39 46.535 42.933 -16.556 1.00 14.52 H new ATOM 0 HB3 LEU A 39 46.392 44.400 -15.608 1.00 14.52 H new ATOM 0 HG LEU A 39 44.179 43.139 -14.741 1.00 33.30 H new ATOM 0 HD11 LEU A 39 44.679 40.747 -14.428 1.00 43.33 H new ATOM 0 HD12 LEU A 39 44.525 41.169 -16.150 1.00 43.33 H new ATOM 0 HD13 LEU A 39 46.136 40.924 -15.434 1.00 43.33 H new ATOM 0 HD21 LEU A 39 45.515 42.406 -12.806 1.00 4.41 H new ATOM 0 HD22 LEU A 39 47.005 42.648 -13.748 1.00 4.41 H new ATOM 0 HD23 LEU A 39 45.972 44.039 -13.343 1.00 4.41 H new ATOM 526 N ALA A 40 46.086 44.510 -19.127 1.00 51.21 N ATOM 527 CA ALA A 40 46.814 45.286 -20.124 1.00 64.31 C ATOM 528 C ALA A 40 45.932 46.375 -20.723 1.00 43.22 C ATOM 529 O ALA A 40 46.421 47.424 -21.140 1.00 4.32 O ATOM 530 CB ALA A 40 47.345 44.372 -21.218 1.00 25.15 C ATOM 0 H ALA A 40 45.992 43.519 -19.349 1.00 51.21 H new ATOM 0 HA ALA A 40 47.656 45.769 -19.629 1.00 64.31 H new ATOM 0 HB1 ALA A 40 47.886 44.964 -21.956 1.00 25.15 H new ATOM 0 HB2 ALA A 40 48.017 43.634 -20.781 1.00 25.15 H new ATOM 0 HB3 ALA A 40 46.512 43.862 -21.702 1.00 25.15 H new ATOM 536 N ALA A 41 44.628 46.119 -20.765 1.00 20.31 N ATOM 537 CA ALA A 41 43.677 47.078 -21.313 1.00 31.30 C ATOM 538 C ALA A 41 43.618 48.341 -20.460 1.00 13.14 C ATOM 539 O ALA A 41 43.616 49.456 -20.983 1.00 30.43 O ATOM 540 CB ALA A 41 42.297 46.448 -21.423 1.00 44.41 C ATOM 0 H ALA A 41 44.206 45.255 -20.426 1.00 20.31 H new ATOM 0 HA ALA A 41 44.016 47.360 -22.310 1.00 31.30 H new ATOM 0 HB1 ALA A 41 41.597 47.175 -21.834 1.00 44.41 H new ATOM 0 HB2 ALA A 41 42.345 45.579 -22.080 1.00 44.41 H new ATOM 0 HB3 ALA A 41 41.959 46.137 -20.434 1.00 44.41 H new ATOM 546 N TYR A 42 43.571 48.159 -19.144 1.00 5.33 N ATOM 547 CA TYR A 42 43.509 49.284 -18.219 1.00 31.44 C ATOM 548 C TYR A 42 44.782 50.122 -18.294 1.00 22.33 C ATOM 549 O TYR A 42 44.796 51.286 -17.898 1.00 50.21 O ATOM 550 CB TYR A 42 43.298 48.784 -16.789 1.00 65.23 C ATOM 551 CG TYR A 42 41.854 48.470 -16.465 1.00 51.30 C ATOM 552 CD1 TYR A 42 41.147 47.523 -17.195 1.00 34.25 C ATOM 553 CD2 TYR A 42 41.197 49.121 -15.428 1.00 75.51 C ATOM 554 CE1 TYR A 42 39.829 47.233 -16.903 1.00 72.21 C ATOM 555 CE2 TYR A 42 39.880 48.837 -15.127 1.00 44.12 C ATOM 556 CZ TYR A 42 39.199 47.893 -15.868 1.00 4.24 C ATOM 557 OH TYR A 42 37.886 47.607 -15.572 1.00 4.33 O ATOM 0 H TYR A 42 43.575 47.243 -18.695 1.00 5.33 H new ATOM 0 HA TYR A 42 42.665 49.912 -18.506 1.00 31.44 H new ATOM 0 HB2 TYR A 42 43.900 47.889 -16.633 1.00 65.23 H new ATOM 0 HB3 TYR A 42 43.663 49.538 -16.092 1.00 65.23 H new ATOM 0 HD1 TYR A 42 41.637 47.004 -18.006 1.00 34.25 H new ATOM 0 HD2 TYR A 42 41.726 49.862 -14.847 1.00 75.51 H new ATOM 0 HE1 TYR A 42 39.294 46.494 -17.481 1.00 72.21 H new ATOM 0 HE2 TYR A 42 39.385 49.351 -14.316 1.00 44.12 H new ATOM 0 HH TYR A 42 37.594 48.158 -14.816 1.00 4.33 H new ATOM 567 N ALA A 43 45.850 49.518 -18.805 1.00 2.14 N ATOM 568 CA ALA A 43 47.128 50.208 -18.935 1.00 64.31 C ATOM 569 C ALA A 43 47.005 51.424 -19.846 1.00 32.34 C ATOM 570 O ALA A 43 47.893 52.275 -19.884 1.00 13.11 O ATOM 571 CB ALA A 43 48.191 49.255 -19.463 1.00 71.33 C ATOM 0 H ALA A 43 45.856 48.553 -19.136 1.00 2.14 H new ATOM 0 HA ALA A 43 47.427 50.557 -17.946 1.00 64.31 H new ATOM 0 HB1 ALA A 43 49.140 49.783 -19.555 1.00 71.33 H new ATOM 0 HB2 ALA A 43 48.306 48.420 -18.772 1.00 71.33 H new ATOM 0 HB3 ALA A 43 47.889 48.878 -20.440 1.00 71.33 H new ATOM 577 N ALA A 44 45.900 51.499 -20.580 1.00 64.40 N ATOM 578 CA ALA A 44 45.661 52.612 -21.490 1.00 42.45 C ATOM 579 C ALA A 44 45.048 53.799 -20.756 1.00 11.41 C ATOM 580 O ALA A 44 44.910 54.884 -21.319 1.00 54.33 O ATOM 581 CB ALA A 44 44.759 52.174 -22.634 1.00 43.30 C ATOM 0 H ALA A 44 45.156 50.802 -20.562 1.00 64.40 H new ATOM 0 HA ALA A 44 46.621 52.927 -21.899 1.00 42.45 H new ATOM 0 HB1 ALA A 44 44.589 53.015 -23.306 1.00 43.30 H new ATOM 0 HB2 ALA A 44 45.236 51.362 -23.183 1.00 43.30 H new ATOM 0 HB3 ALA A 44 43.805 51.830 -22.234 1.00 43.30 H new ATOM 587 N ASN A 45 44.682 53.585 -19.497 1.00 54.45 N ATOM 588 CA ASN A 45 44.083 54.639 -18.685 1.00 43.25 C ATOM 589 C ASN A 45 45.088 55.190 -17.679 1.00 11.22 C ATOM 590 O ASN A 45 45.550 56.324 -17.807 1.00 15.51 O ATOM 591 CB ASN A 45 42.849 54.108 -17.952 1.00 72.44 C ATOM 592 CG ASN A 45 41.748 53.685 -18.904 1.00 60.25 C ATOM 593 OD1 ASN A 45 41.915 52.754 -19.692 1.00 3.11 O ATOM 594 ND2 ASN A 45 40.611 54.371 -18.836 1.00 31.42 N ATOM 0 H ASN A 45 44.789 52.692 -19.016 1.00 54.45 H new ATOM 0 HA ASN A 45 43.782 55.448 -19.350 1.00 43.25 H new ATOM 0 HB2 ASN A 45 43.136 53.258 -17.332 1.00 72.44 H new ATOM 0 HB3 ASN A 45 42.469 54.878 -17.281 1.00 72.44 H new ATOM 0 HD21 ASN A 45 39.834 54.133 -19.452 1.00 31.42 H new ATOM 0 HD22 ASN A 45 40.516 55.136 -18.168 1.00 31.42 H new ATOM 601 N ILE A 46 45.422 54.381 -16.681 1.00 71.45 N ATOM 602 CA ILE A 46 46.374 54.787 -15.654 1.00 71.34 C ATOM 603 C ILE A 46 47.542 53.810 -15.571 1.00 44.41 C ATOM 604 O ILE A 46 48.675 54.151 -15.913 1.00 71.01 O ATOM 605 CB ILE A 46 45.702 54.885 -14.271 1.00 3.24 C ATOM 606 CG1 ILE A 46 44.413 54.061 -14.246 1.00 52.44 C ATOM 607 CG2 ILE A 46 45.417 56.338 -13.924 1.00 71.32 C ATOM 608 CD1 ILE A 46 43.932 53.735 -12.850 1.00 3.21 C ATOM 0 H ILE A 46 45.048 53.440 -16.561 1.00 71.45 H new ATOM 0 HA ILE A 46 46.746 55.771 -15.939 1.00 71.34 H new ATOM 0 HB ILE A 46 46.383 54.480 -13.522 1.00 3.24 H new ATOM 0 HG12 ILE A 46 43.631 54.608 -14.772 1.00 52.44 H new ATOM 0 HG13 ILE A 46 44.575 53.132 -14.792 1.00 52.44 H new ATOM 0 HG21 ILE A 46 44.942 56.392 -12.944 1.00 71.32 H new ATOM 0 HG22 ILE A 46 46.352 56.898 -13.905 1.00 71.32 H new ATOM 0 HG23 ILE A 46 44.752 56.767 -14.673 1.00 71.32 H new ATOM 0 HD11 ILE A 46 43.014 53.150 -12.909 1.00 3.21 H new ATOM 0 HD12 ILE A 46 44.696 53.160 -12.327 1.00 3.21 H new ATOM 0 HD13 ILE A 46 43.738 54.660 -12.307 1.00 3.21 H new ATOM 620 N VAL A 47 47.259 52.594 -15.116 1.00 60.30 N ATOM 621 CA VAL A 47 48.286 51.566 -14.991 1.00 3.24 C ATOM 622 C VAL A 47 47.816 50.244 -15.587 1.00 42.00 C ATOM 623 O VAL A 47 46.640 50.081 -15.910 1.00 73.44 O ATOM 624 CB VAL A 47 48.679 51.343 -13.519 1.00 32.51 C ATOM 625 CG1 VAL A 47 50.116 50.854 -13.419 1.00 32.40 C ATOM 626 CG2 VAL A 47 48.485 52.619 -12.716 1.00 61.24 C ATOM 0 H VAL A 47 46.327 52.296 -14.828 1.00 60.30 H new ATOM 0 HA VAL A 47 49.157 51.919 -15.542 1.00 3.24 H new ATOM 0 HB VAL A 47 48.028 50.575 -13.100 1.00 32.51 H new ATOM 0 HG11 VAL A 47 50.376 50.702 -12.372 1.00 32.40 H new ATOM 0 HG12 VAL A 47 50.218 49.913 -13.959 1.00 32.40 H new ATOM 0 HG13 VAL A 47 50.784 51.597 -13.855 1.00 32.40 H new ATOM 0 HG21 VAL A 47 48.768 52.442 -11.678 1.00 61.24 H new ATOM 0 HG22 VAL A 47 49.109 53.410 -13.133 1.00 61.24 H new ATOM 0 HG23 VAL A 47 47.439 52.921 -12.761 1.00 61.24 H new ATOM 636 N ASN A 48 48.743 49.302 -15.729 1.00 41.43 N ATOM 637 CA ASN A 48 48.423 47.993 -16.286 1.00 50.35 C ATOM 638 C ASN A 48 47.808 47.085 -15.225 1.00 52.51 C ATOM 639 O ASN A 48 48.080 45.885 -15.185 1.00 1.41 O ATOM 640 CB ASN A 48 49.680 47.341 -16.864 1.00 14.13 C ATOM 641 CG ASN A 48 50.854 47.399 -15.905 1.00 23.21 C ATOM 642 OD1 ASN A 48 50.823 46.797 -14.831 1.00 65.10 O ATOM 643 ND2 ASN A 48 51.898 48.124 -16.291 1.00 52.34 N ATOM 0 H ASN A 48 49.721 49.421 -15.466 1.00 41.43 H new ATOM 0 HA ASN A 48 47.694 48.134 -17.084 1.00 50.35 H new ATOM 0 HB2 ASN A 48 49.466 46.301 -17.110 1.00 14.13 H new ATOM 0 HB3 ASN A 48 49.950 47.840 -17.795 1.00 14.13 H new ATOM 0 HD21 ASN A 48 52.718 48.199 -15.689 1.00 52.34 H new ATOM 0 HD22 ASN A 48 51.880 48.606 -17.190 1.00 52.34 H new ATOM 650 N VAL A 49 46.977 47.668 -14.366 1.00 63.54 N ATOM 651 CA VAL A 49 46.321 46.912 -13.305 1.00 5.42 C ATOM 652 C VAL A 49 44.807 46.914 -13.484 1.00 23.22 C ATOM 653 O VAL A 49 44.222 47.912 -13.904 1.00 53.52 O ATOM 654 CB VAL A 49 46.663 47.482 -11.917 1.00 34.24 C ATOM 655 CG1 VAL A 49 45.946 46.700 -10.826 1.00 50.12 C ATOM 656 CG2 VAL A 49 48.167 47.468 -11.691 1.00 34.02 C ATOM 0 H VAL A 49 46.742 48.660 -14.384 1.00 63.54 H new ATOM 0 HA VAL A 49 46.690 45.889 -13.371 1.00 5.42 H new ATOM 0 HB VAL A 49 46.321 48.516 -11.875 1.00 34.24 H new ATOM 0 HG11 VAL A 49 46.200 47.118 -9.852 1.00 50.12 H new ATOM 0 HG12 VAL A 49 44.869 46.766 -10.979 1.00 50.12 H new ATOM 0 HG13 VAL A 49 46.255 45.655 -10.864 1.00 50.12 H new ATOM 0 HG21 VAL A 49 48.391 47.875 -10.705 1.00 34.02 H new ATOM 0 HG22 VAL A 49 48.535 46.444 -11.753 1.00 34.02 H new ATOM 0 HG23 VAL A 49 48.655 48.076 -12.453 1.00 34.02 H new ATOM 666 N SER A 50 44.178 45.788 -13.163 1.00 42.23 N ATOM 667 CA SER A 50 42.730 45.658 -13.291 1.00 11.41 C ATOM 668 C SER A 50 42.221 44.456 -12.503 1.00 63.42 C ATOM 669 O SER A 50 43.004 43.703 -11.921 1.00 52.11 O ATOM 670 CB SER A 50 42.338 45.520 -14.763 1.00 4.41 C ATOM 671 OG SER A 50 40.930 45.527 -14.919 1.00 73.10 O ATOM 0 H SER A 50 44.647 44.953 -12.813 1.00 42.23 H new ATOM 0 HA SER A 50 42.271 46.559 -12.883 1.00 11.41 H new ATOM 0 HB2 SER A 50 42.775 46.337 -15.337 1.00 4.41 H new ATOM 0 HB3 SER A 50 42.747 44.594 -15.166 1.00 4.41 H new ATOM 0 HG SER A 50 40.643 46.399 -15.262 1.00 73.10 H new ATOM 677 N LEU A 51 40.904 44.281 -12.487 1.00 1.15 N ATOM 678 CA LEU A 51 40.288 43.170 -11.771 1.00 61.33 C ATOM 679 C LEU A 51 38.984 42.747 -12.439 1.00 42.43 C ATOM 680 O LEU A 51 38.617 43.267 -13.494 1.00 33.45 O ATOM 681 CB LEU A 51 40.025 43.559 -10.315 1.00 3.32 C ATOM 682 CG LEU A 51 41.262 43.844 -9.463 1.00 10.02 C ATOM 683 CD1 LEU A 51 41.619 45.321 -9.516 1.00 50.44 C ATOM 684 CD2 LEU A 51 41.033 43.400 -8.025 1.00 40.52 C ATOM 0 H LEU A 51 40.242 44.895 -12.962 1.00 1.15 H new ATOM 0 HA LEU A 51 40.978 42.327 -11.797 1.00 61.33 H new ATOM 0 HB2 LEU A 51 39.390 44.445 -10.306 1.00 3.32 H new ATOM 0 HB3 LEU A 51 39.460 42.756 -9.842 1.00 3.32 H new ATOM 0 HG LEU A 51 42.098 43.275 -9.870 1.00 10.02 H new ATOM 0 HD11 LEU A 51 42.502 45.504 -8.904 1.00 50.44 H new ATOM 0 HD12 LEU A 51 41.826 45.608 -10.547 1.00 50.44 H new ATOM 0 HD13 LEU A 51 40.785 45.911 -9.136 1.00 50.44 H new ATOM 0 HD21 LEU A 51 41.924 43.610 -7.433 1.00 40.52 H new ATOM 0 HD22 LEU A 51 40.184 43.941 -7.608 1.00 40.52 H new ATOM 0 HD23 LEU A 51 40.827 42.330 -8.003 1.00 40.52 H new ATOM 696 N VAL A 52 38.285 41.802 -11.818 1.00 42.22 N ATOM 697 CA VAL A 52 37.020 41.311 -12.351 1.00 51.35 C ATOM 698 C VAL A 52 35.865 41.635 -11.410 1.00 73.13 C ATOM 699 O VAL A 52 34.699 41.430 -11.746 1.00 63.05 O ATOM 700 CB VAL A 52 37.062 39.791 -12.589 1.00 33.44 C ATOM 701 CG1 VAL A 52 36.952 39.040 -11.270 1.00 45.24 C ATOM 702 CG2 VAL A 52 35.958 39.370 -13.546 1.00 63.11 C ATOM 0 H VAL A 52 38.574 41.361 -10.945 1.00 42.22 H new ATOM 0 HA VAL A 52 36.862 41.815 -13.304 1.00 51.35 H new ATOM 0 HB VAL A 52 38.020 39.539 -13.044 1.00 33.44 H new ATOM 0 HG11 VAL A 52 36.983 37.967 -11.459 1.00 45.24 H new ATOM 0 HG12 VAL A 52 37.783 39.319 -10.622 1.00 45.24 H new ATOM 0 HG13 VAL A 52 36.011 39.295 -10.783 1.00 45.24 H new ATOM 0 HG21 VAL A 52 36.003 38.292 -13.702 1.00 63.11 H new ATOM 0 HG22 VAL A 52 34.989 39.635 -13.123 1.00 63.11 H new ATOM 0 HG23 VAL A 52 36.089 39.881 -14.500 1.00 63.11 H new ATOM 712 N LYS A 53 36.197 42.143 -10.228 1.00 35.20 N ATOM 713 CA LYS A 53 35.188 42.498 -9.236 1.00 12.24 C ATOM 714 C LYS A 53 34.210 43.524 -9.798 1.00 21.12 C ATOM 715 O LYS A 53 32.991 43.362 -9.723 1.00 32.44 O ATOM 716 CB LYS A 53 35.856 43.051 -7.975 1.00 1.42 C ATOM 717 CG LYS A 53 34.918 43.860 -7.095 1.00 11.42 C ATOM 718 CD LYS A 53 33.772 43.011 -6.573 1.00 70.30 C ATOM 719 CE LYS A 53 32.486 43.815 -6.464 1.00 30.02 C ATOM 720 NZ LYS A 53 31.587 43.283 -5.403 1.00 62.11 N ATOM 0 H LYS A 53 37.158 42.318 -9.933 1.00 35.20 H new ATOM 0 HA LYS A 53 34.633 41.596 -8.980 1.00 12.24 H new ATOM 0 HB2 LYS A 53 36.260 42.222 -7.395 1.00 1.42 H new ATOM 0 HB3 LYS A 53 36.699 43.678 -8.266 1.00 1.42 H new ATOM 0 HG2 LYS A 53 35.474 44.277 -6.256 1.00 11.42 H new ATOM 0 HG3 LYS A 53 34.520 44.701 -7.663 1.00 11.42 H new ATOM 0 HD2 LYS A 53 33.616 42.161 -7.237 1.00 70.30 H new ATOM 0 HD3 LYS A 53 34.033 42.607 -5.595 1.00 70.30 H new ATOM 0 HE2 LYS A 53 32.726 44.856 -6.248 1.00 30.02 H new ATOM 0 HE3 LYS A 53 31.966 43.800 -7.422 1.00 30.02 H new ATOM 0 HZ1 LYS A 53 30.722 43.858 -5.361 1.00 62.11 H new ATOM 0 HZ2 LYS A 53 31.337 42.297 -5.622 1.00 62.11 H new ATOM 0 HZ3 LYS A 53 32.073 43.321 -4.485 1.00 62.11 H new ATOM 734 N PRO A 54 34.752 44.606 -10.376 1.00 22.12 N ATOM 735 CA PRO A 54 33.945 45.678 -10.965 1.00 43.14 C ATOM 736 C PRO A 54 33.230 45.235 -12.237 1.00 20.32 C ATOM 737 O PRO A 54 32.377 45.949 -12.764 1.00 45.32 O ATOM 738 CB PRO A 54 34.974 46.766 -11.281 1.00 21.44 C ATOM 739 CG PRO A 54 36.261 46.032 -11.447 1.00 52.14 C ATOM 740 CD PRO A 54 36.196 44.865 -10.502 1.00 31.35 C ATOM 0 HA PRO A 54 33.152 46.005 -10.293 1.00 43.14 H new ATOM 0 HB2 PRO A 54 34.709 47.311 -12.187 1.00 21.44 H new ATOM 0 HB3 PRO A 54 35.036 47.498 -10.476 1.00 21.44 H new ATOM 0 HG2 PRO A 54 36.388 45.695 -12.476 1.00 52.14 H new ATOM 0 HG3 PRO A 54 37.110 46.675 -11.215 1.00 52.14 H new ATOM 0 HD2 PRO A 54 36.726 43.999 -10.897 1.00 31.35 H new ATOM 0 HD3 PRO A 54 36.647 45.103 -9.539 1.00 31.35 H new ATOM 748 N THR A 55 33.585 44.050 -12.727 1.00 43.33 N ATOM 749 CA THR A 55 32.978 43.512 -13.938 1.00 41.32 C ATOM 750 C THR A 55 31.748 42.674 -13.611 1.00 23.41 C ATOM 751 O THR A 55 31.072 42.168 -14.507 1.00 41.14 O ATOM 752 CB THR A 55 33.978 42.649 -14.731 1.00 75.33 C ATOM 753 OG1 THR A 55 34.041 41.333 -14.170 1.00 43.25 O ATOM 754 CG2 THR A 55 35.363 43.277 -14.720 1.00 60.12 C ATOM 0 H THR A 55 34.289 43.446 -12.304 1.00 43.33 H new ATOM 0 HA THR A 55 32.681 44.365 -14.549 1.00 41.32 H new ATOM 0 HB THR A 55 33.633 42.588 -15.763 1.00 75.33 H new ATOM 0 HG1 THR A 55 34.013 41.393 -13.192 1.00 43.25 H new ATOM 0 HG21 THR A 55 36.051 42.650 -15.286 1.00 60.12 H new ATOM 0 HG22 THR A 55 35.317 44.267 -15.174 1.00 60.12 H new ATOM 0 HG23 THR A 55 35.714 43.365 -13.692 1.00 60.12 H new ATOM 762 N VAL A 56 31.460 42.530 -12.321 1.00 32.24 N ATOM 763 CA VAL A 56 30.310 41.754 -11.875 1.00 4.03 C ATOM 764 C VAL A 56 29.018 42.287 -12.486 1.00 71.40 C ATOM 765 O VAL A 56 28.133 41.517 -12.860 1.00 40.11 O ATOM 766 CB VAL A 56 30.183 41.768 -10.340 1.00 4.11 C ATOM 767 CG1 VAL A 56 31.340 41.016 -9.701 1.00 4.44 C ATOM 768 CG2 VAL A 56 30.117 43.198 -9.825 1.00 41.52 C ATOM 0 H VAL A 56 32.009 42.942 -11.566 1.00 32.24 H new ATOM 0 HA VAL A 56 30.471 40.729 -12.209 1.00 4.03 H new ATOM 0 HB VAL A 56 29.257 41.263 -10.065 1.00 4.11 H new ATOM 0 HG11 VAL A 56 31.233 41.037 -8.616 1.00 4.44 H new ATOM 0 HG12 VAL A 56 31.337 39.982 -10.046 1.00 4.44 H new ATOM 0 HG13 VAL A 56 32.281 41.489 -9.982 1.00 4.44 H new ATOM 0 HG21 VAL A 56 30.027 43.190 -8.739 1.00 41.52 H new ATOM 0 HG22 VAL A 56 31.025 43.730 -10.110 1.00 41.52 H new ATOM 0 HG23 VAL A 56 29.251 43.701 -10.257 1.00 41.52 H new ATOM 778 N TYR A 57 28.918 43.608 -12.583 1.00 63.41 N ATOM 779 CA TYR A 57 27.733 44.244 -13.147 1.00 30.12 C ATOM 780 C TYR A 57 27.368 43.623 -14.492 1.00 22.14 C ATOM 781 O TYR A 57 26.196 43.548 -14.857 1.00 40.34 O ATOM 782 CB TYR A 57 27.966 45.746 -13.314 1.00 52.03 C ATOM 783 CG TYR A 57 28.799 46.099 -14.525 1.00 41.53 C ATOM 784 CD1 TYR A 57 30.121 45.685 -14.629 1.00 53.13 C ATOM 785 CD2 TYR A 57 28.264 46.848 -15.566 1.00 44.55 C ATOM 786 CE1 TYR A 57 30.885 46.007 -15.734 1.00 21.43 C ATOM 787 CE2 TYR A 57 29.020 47.173 -16.676 1.00 55.12 C ATOM 788 CZ TYR A 57 30.330 46.750 -16.754 1.00 3.34 C ATOM 789 OH TYR A 57 31.088 47.071 -17.857 1.00 15.14 O ATOM 0 H TYR A 57 29.642 44.259 -12.279 1.00 63.41 H new ATOM 0 HA TYR A 57 26.904 44.085 -12.457 1.00 30.12 H new ATOM 0 HB2 TYR A 57 27.002 46.249 -13.388 1.00 52.03 H new ATOM 0 HB3 TYR A 57 28.458 46.130 -12.421 1.00 52.03 H new ATOM 0 HD1 TYR A 57 30.559 45.102 -13.833 1.00 53.13 H new ATOM 0 HD2 TYR A 57 27.239 47.182 -15.506 1.00 44.55 H new ATOM 0 HE1 TYR A 57 31.912 45.678 -15.798 1.00 21.43 H new ATOM 0 HE2 TYR A 57 28.588 47.754 -17.477 1.00 55.12 H new ATOM 0 HH TYR A 57 30.548 47.597 -18.483 1.00 15.14 H new ATOM 799 N VAL A 58 28.384 43.177 -15.225 1.00 24.13 N ATOM 800 CA VAL A 58 28.172 42.561 -16.530 1.00 75.41 C ATOM 801 C VAL A 58 27.564 41.170 -16.388 1.00 71.42 C ATOM 802 O VAL A 58 26.728 40.761 -17.194 1.00 74.11 O ATOM 803 CB VAL A 58 29.490 42.454 -17.320 1.00 43.04 C ATOM 804 CG1 VAL A 58 29.349 41.458 -18.461 1.00 22.31 C ATOM 805 CG2 VAL A 58 29.910 43.820 -17.842 1.00 72.33 C ATOM 0 H VAL A 58 29.361 43.231 -14.937 1.00 24.13 H new ATOM 0 HA VAL A 58 27.481 43.203 -17.075 1.00 75.41 H new ATOM 0 HB VAL A 58 30.268 42.092 -16.648 1.00 43.04 H new ATOM 0 HG11 VAL A 58 30.290 41.396 -19.008 1.00 22.31 H new ATOM 0 HG12 VAL A 58 29.098 40.477 -18.058 1.00 22.31 H new ATOM 0 HG13 VAL A 58 28.558 41.787 -19.135 1.00 22.31 H new ATOM 0 HG21 VAL A 58 30.843 43.726 -18.398 1.00 72.33 H new ATOM 0 HG22 VAL A 58 29.134 44.213 -18.499 1.00 72.33 H new ATOM 0 HG23 VAL A 58 30.054 44.501 -17.003 1.00 72.33 H new ATOM 815 N TYR A 59 27.988 40.447 -15.356 1.00 2.33 N ATOM 816 CA TYR A 59 27.486 39.100 -15.109 1.00 11.44 C ATOM 817 C TYR A 59 25.962 39.069 -15.163 1.00 64.31 C ATOM 818 O TYR A 59 25.370 38.212 -15.820 1.00 21.13 O ATOM 819 CB TYR A 59 27.970 38.595 -13.749 1.00 72.23 C ATOM 820 CG TYR A 59 27.745 37.115 -13.538 1.00 33.30 C ATOM 821 CD1 TYR A 59 28.215 36.183 -14.455 1.00 43.53 C ATOM 822 CD2 TYR A 59 27.065 36.649 -12.420 1.00 65.15 C ATOM 823 CE1 TYR A 59 28.010 34.830 -14.267 1.00 34.02 C ATOM 824 CE2 TYR A 59 26.857 35.297 -12.223 1.00 74.34 C ATOM 825 CZ TYR A 59 27.331 34.392 -13.149 1.00 11.04 C ATOM 826 OH TYR A 59 27.127 33.045 -12.956 1.00 21.54 O ATOM 0 H TYR A 59 28.678 40.771 -14.678 1.00 2.33 H new ATOM 0 HA TYR A 59 27.872 38.446 -15.891 1.00 11.44 H new ATOM 0 HB2 TYR A 59 29.034 38.810 -13.648 1.00 72.23 H new ATOM 0 HB3 TYR A 59 27.457 39.148 -12.962 1.00 72.23 H new ATOM 0 HD1 TYR A 59 28.750 36.522 -15.330 1.00 43.53 H new ATOM 0 HD2 TYR A 59 26.693 37.355 -11.693 1.00 65.15 H new ATOM 0 HE1 TYR A 59 28.379 34.119 -14.991 1.00 34.02 H new ATOM 0 HE2 TYR A 59 26.326 34.951 -11.348 1.00 74.34 H new ATOM 0 HH TYR A 59 26.634 32.905 -12.121 1.00 21.54 H new ATOM 836 N SER A 60 25.332 40.010 -14.467 1.00 62.34 N ATOM 837 CA SER A 60 23.876 40.088 -14.432 1.00 51.44 C ATOM 838 C SER A 60 23.311 40.316 -15.831 1.00 70.42 C ATOM 839 O SER A 60 22.411 39.601 -16.272 1.00 75.42 O ATOM 840 CB SER A 60 23.428 41.215 -13.499 1.00 42.45 C ATOM 841 OG SER A 60 22.014 41.277 -13.416 1.00 4.23 O ATOM 0 H SER A 60 25.806 40.728 -13.920 1.00 62.34 H new ATOM 0 HA SER A 60 23.494 39.139 -14.055 1.00 51.44 H new ATOM 0 HB2 SER A 60 23.847 41.057 -12.505 1.00 42.45 H new ATOM 0 HB3 SER A 60 23.816 42.167 -13.861 1.00 42.45 H new ATOM 0 HG SER A 60 21.640 41.417 -14.311 1.00 4.23 H new ATOM 847 N ARG A 61 23.845 41.315 -16.523 1.00 51.42 N ATOM 848 CA ARG A 61 23.394 41.639 -17.871 1.00 50.22 C ATOM 849 C ARG A 61 23.476 40.415 -18.779 1.00 41.31 C ATOM 850 O ARG A 61 22.517 40.081 -19.477 1.00 54.50 O ATOM 851 CB ARG A 61 24.234 42.777 -18.454 1.00 61.41 C ATOM 852 CG ARG A 61 24.203 44.046 -17.619 1.00 13.42 C ATOM 853 CD ARG A 61 24.550 45.271 -18.452 1.00 25.50 C ATOM 854 NE ARG A 61 25.026 46.377 -17.628 1.00 72.43 N ATOM 855 CZ ARG A 61 24.220 47.186 -16.947 1.00 35.23 C ATOM 856 NH1 ARG A 61 22.907 47.011 -16.993 1.00 12.21 N ATOM 857 NH2 ARG A 61 24.730 48.171 -16.218 1.00 43.42 N ATOM 0 H ARG A 61 24.592 41.915 -16.173 1.00 51.42 H new ATOM 0 HA ARG A 61 22.354 41.959 -17.812 1.00 50.22 H new ATOM 0 HB2 ARG A 61 25.267 42.442 -18.552 1.00 61.41 H new ATOM 0 HB3 ARG A 61 23.876 43.004 -19.458 1.00 61.41 H new ATOM 0 HG2 ARG A 61 23.212 44.171 -17.182 1.00 13.42 H new ATOM 0 HG3 ARG A 61 24.907 43.956 -16.792 1.00 13.42 H new ATOM 0 HD2 ARG A 61 25.315 45.008 -19.182 1.00 25.50 H new ATOM 0 HD3 ARG A 61 23.671 45.589 -19.012 1.00 25.50 H new ATOM 0 HE ARG A 61 26.032 46.538 -17.571 1.00 72.43 H new ATOM 0 HH11 ARG A 61 22.513 46.254 -17.552 1.00 12.21 H new ATOM 0 HH12 ARG A 61 22.291 47.633 -16.470 1.00 12.21 H new ATOM 0 HH21 ARG A 61 25.740 48.307 -16.180 1.00 43.42 H new ATOM 0 HH22 ARG A 61 24.112 48.792 -15.696 1.00 43.42 H new ATOM 871 N VAL A 62 24.627 39.750 -18.766 1.00 41.33 N ATOM 872 CA VAL A 62 24.834 38.564 -19.588 1.00 4.10 C ATOM 873 C VAL A 62 23.729 37.539 -19.360 1.00 21.42 C ATOM 874 O VAL A 62 23.219 36.937 -20.307 1.00 15.21 O ATOM 875 CB VAL A 62 26.196 37.909 -19.294 1.00 73.31 C ATOM 876 CG1 VAL A 62 26.208 36.464 -19.772 1.00 52.43 C ATOM 877 CG2 VAL A 62 27.320 38.702 -19.942 1.00 44.01 C ATOM 0 H VAL A 62 25.430 40.013 -18.195 1.00 41.33 H new ATOM 0 HA VAL A 62 24.814 38.891 -20.628 1.00 4.10 H new ATOM 0 HB VAL A 62 26.355 37.912 -18.216 1.00 73.31 H new ATOM 0 HG11 VAL A 62 27.178 36.017 -19.556 1.00 52.43 H new ATOM 0 HG12 VAL A 62 25.428 35.904 -19.257 1.00 52.43 H new ATOM 0 HG13 VAL A 62 26.026 36.435 -20.846 1.00 52.43 H new ATOM 0 HG21 VAL A 62 28.275 38.224 -19.724 1.00 44.01 H new ATOM 0 HG22 VAL A 62 27.168 38.733 -21.021 1.00 44.01 H new ATOM 0 HG23 VAL A 62 27.324 39.718 -19.547 1.00 44.01 H new ATOM 887 N LYS A 63 23.361 37.343 -18.099 1.00 34.31 N ATOM 888 CA LYS A 63 22.315 36.391 -17.745 1.00 53.44 C ATOM 889 C LYS A 63 20.943 36.912 -18.159 1.00 24.00 C ATOM 890 O LYS A 63 20.123 36.168 -18.696 1.00 61.03 O ATOM 891 CB LYS A 63 22.334 36.117 -16.239 1.00 23.13 C ATOM 892 CG LYS A 63 21.425 34.976 -15.816 1.00 30.15 C ATOM 893 CD LYS A 63 21.092 35.048 -14.336 1.00 40.12 C ATOM 894 CE LYS A 63 19.960 36.028 -14.066 1.00 12.12 C ATOM 895 NZ LYS A 63 19.252 35.721 -12.793 1.00 63.11 N ATOM 0 H LYS A 63 23.772 37.832 -17.304 1.00 34.31 H new ATOM 0 HA LYS A 63 22.509 35.461 -18.280 1.00 53.44 H new ATOM 0 HB2 LYS A 63 23.355 35.889 -15.933 1.00 23.13 H new ATOM 0 HB3 LYS A 63 22.037 37.022 -15.710 1.00 23.13 H new ATOM 0 HG2 LYS A 63 20.505 35.008 -16.399 1.00 30.15 H new ATOM 0 HG3 LYS A 63 21.908 34.024 -16.035 1.00 30.15 H new ATOM 0 HD2 LYS A 63 20.811 34.058 -13.977 1.00 40.12 H new ATOM 0 HD3 LYS A 63 21.978 35.350 -13.777 1.00 40.12 H new ATOM 0 HE2 LYS A 63 20.359 37.041 -14.024 1.00 12.12 H new ATOM 0 HE3 LYS A 63 19.250 35.999 -14.892 1.00 12.12 H new ATOM 0 HZ1 LYS A 63 18.488 36.411 -12.645 1.00 63.11 H new ATOM 0 HZ2 LYS A 63 18.849 34.764 -12.842 1.00 63.11 H new ATOM 0 HZ3 LYS A 63 19.924 35.773 -12.001 1.00 63.11 H new ATOM 909 N ASN A 64 20.701 38.194 -17.907 1.00 44.21 N ATOM 910 CA ASN A 64 19.427 38.814 -18.257 1.00 11.12 C ATOM 911 C ASN A 64 19.175 38.730 -19.759 1.00 21.51 C ATOM 912 O ASN A 64 18.031 38.796 -20.212 1.00 32.22 O ATOM 913 CB ASN A 64 19.409 40.276 -17.806 1.00 45.34 C ATOM 914 CG ASN A 64 19.743 40.433 -16.336 1.00 11.21 C ATOM 915 OD1 ASN A 64 20.500 41.325 -15.952 1.00 11.31 O ATOM 916 ND2 ASN A 64 19.178 39.565 -15.506 1.00 34.44 N ATOM 0 H ASN A 64 21.369 38.824 -17.462 1.00 44.21 H new ATOM 0 HA ASN A 64 18.633 38.272 -17.744 1.00 11.12 H new ATOM 0 HB2 ASN A 64 20.123 40.845 -18.401 1.00 45.34 H new ATOM 0 HB3 ASN A 64 18.424 40.701 -17.999 1.00 45.34 H new ATOM 0 HD21 ASN A 64 19.365 39.621 -14.505 1.00 34.44 H new ATOM 0 HD22 ASN A 64 18.557 38.842 -15.869 1.00 34.44 H new ATOM 923 N LEU A 65 20.249 38.582 -20.526 1.00 44.44 N ATOM 924 CA LEU A 65 20.144 38.487 -21.979 1.00 55.13 C ATOM 925 C LEU A 65 19.102 37.449 -22.383 1.00 54.13 C ATOM 926 O LEU A 65 18.067 37.819 -22.936 1.00 73.45 O ATOM 927 CB LEU A 65 21.501 38.128 -22.585 1.00 73.52 C ATOM 928 CG LEU A 65 21.861 38.834 -23.892 1.00 51.01 C ATOM 929 CD1 LEU A 65 23.193 38.328 -24.424 1.00 24.45 C ATOM 930 CD2 LEU A 65 20.762 38.636 -24.926 1.00 73.13 C ATOM 0 H LEU A 65 21.202 38.525 -20.167 1.00 44.44 H new ATOM 0 HA LEU A 65 19.828 39.458 -22.361 1.00 55.13 H new ATOM 0 HB2 LEU A 65 22.275 38.351 -21.850 1.00 73.52 H new ATOM 0 HB3 LEU A 65 21.526 37.052 -22.758 1.00 73.52 H new ATOM 0 HG LEU A 65 21.955 39.901 -23.691 1.00 51.01 H new ATOM 0 HD11 LEU A 65 23.432 38.842 -25.355 1.00 24.45 H new ATOM 0 HD12 LEU A 65 23.975 38.523 -23.690 1.00 24.45 H new ATOM 0 HD13 LEU A 65 23.127 37.256 -24.609 1.00 24.45 H new ATOM 0 HD21 LEU A 65 21.036 39.146 -25.850 1.00 73.13 H new ATOM 0 HD22 LEU A 65 20.635 37.571 -25.123 1.00 73.13 H new ATOM 0 HD23 LEU A 65 19.827 39.049 -24.547 1.00 73.13 H new