USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 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 Single : A 1 GLY N :NH3+ -154:sc= -0.894! (180deg=-3.55!) USER MOD Single : A 2 SER OG : rot 69:sc= 1.27 USER MOD Single : A 5 LYS NZ :NH3+ 170:sc=-0.00014 (180deg=-0.0959) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.08) USER MOD Single : A 17 ASN : amide:sc= -0.089 K(o=-0.089,f=-0.78) USER MOD Single : A 20 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=-0.013) USER MOD Single : A 29 LYS NZ :NH3+ -112:sc= -0.538 (180deg=-1.95!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0483 (180deg=-0.339) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0485 (180deg=-0.293) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0.902 (180deg=0.902) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 1.15 (180deg=0.354) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.462 -11.291 10.956 1.00 0.00 N ATOM 2 CA GLY A 1 7.467 -12.252 10.463 1.00 0.00 C ATOM 3 C GLY A 1 7.090 -13.685 10.794 1.00 0.00 C ATOM 4 O GLY A 1 7.790 -14.363 11.568 1.00 0.00 O ATOM 0 H1 GLY A 1 6.491 -10.430 10.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.515 -11.718 10.897 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.671 -11.047 11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.573 -12.145 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.437 -12.021 10.903 1.00 0.00 H new ATOM 10 N SER A 2 5.987 -14.147 10.202 1.00 0.00 N ATOM 11 CA SER A 2 5.464 -15.499 10.416 1.00 0.00 C ATOM 12 C SER A 2 6.383 -16.579 9.811 1.00 0.00 C ATOM 13 O SER A 2 5.960 -17.367 8.970 1.00 0.00 O ATOM 14 CB SER A 2 4.057 -15.614 9.804 1.00 0.00 C ATOM 15 OG SER A 2 3.189 -14.604 10.306 1.00 0.00 O ATOM 0 H SER A 2 5.427 -13.590 9.556 1.00 0.00 H new ATOM 0 HA SER A 2 5.420 -15.668 11.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.123 -15.533 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.641 -16.597 10.026 1.00 0.00 H new ATOM 0 HG SER A 2 3.470 -13.731 9.961 1.00 0.00 H new ATOM 21 N VAL A 3 7.624 -16.619 10.270 1.00 0.00 N ATOM 22 CA VAL A 3 8.609 -17.582 9.784 1.00 0.00 C ATOM 23 C VAL A 3 9.498 -18.063 10.930 1.00 0.00 C ATOM 24 O VAL A 3 10.081 -19.141 10.860 1.00 0.00 O ATOM 25 CB VAL A 3 9.511 -16.988 8.659 1.00 0.00 C ATOM 26 CG1 VAL A 3 8.716 -16.756 7.380 1.00 0.00 C ATOM 27 CG2 VAL A 3 10.174 -15.692 9.118 1.00 0.00 C ATOM 0 H VAL A 3 7.980 -15.988 10.988 1.00 0.00 H new ATOM 0 HA VAL A 3 8.049 -18.419 9.367 1.00 0.00 H new ATOM 0 HB VAL A 3 10.293 -17.717 8.444 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.372 -16.341 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.304 -17.703 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.903 -16.058 7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.797 -15.298 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.407 -14.961 9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.792 -15.890 9.994 1.00 0.00 H new ATOM 37 N GLU A 4 9.563 -17.261 11.997 1.00 0.00 N ATOM 38 CA GLU A 4 10.419 -17.560 13.159 1.00 0.00 C ATOM 39 C GLU A 4 10.211 -16.527 14.246 1.00 0.00 C ATOM 40 O GLU A 4 10.316 -16.829 15.433 1.00 0.00 O ATOM 41 CB GLU A 4 11.896 -17.616 12.743 1.00 0.00 C ATOM 42 CG GLU A 4 12.839 -18.097 13.833 1.00 0.00 C ATOM 43 CD GLU A 4 12.455 -19.457 14.365 1.00 0.00 C ATOM 44 OE1 GLU A 4 12.441 -19.633 15.601 1.00 0.00 O ATOM 45 OE2 GLU A 4 12.144 -20.352 13.553 1.00 0.00 O ATOM 0 H GLU A 4 9.032 -16.395 12.084 1.00 0.00 H new ATOM 0 HA GLU A 4 10.138 -18.537 13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.993 -18.274 11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.208 -16.622 12.422 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.855 -18.137 13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.842 -17.377 14.651 1.00 0.00 H new ATOM 52 N LYS A 5 9.905 -15.308 13.846 1.00 0.00 N ATOM 53 CA LYS A 5 9.591 -14.277 14.804 1.00 0.00 C ATOM 54 C LYS A 5 8.117 -14.326 15.131 1.00 0.00 C ATOM 55 O LYS A 5 7.607 -13.489 15.867 1.00 0.00 O ATOM 56 CB LYS A 5 9.990 -12.891 14.295 1.00 0.00 C ATOM 57 CG LYS A 5 11.482 -12.624 14.382 1.00 0.00 C ATOM 58 CD LYS A 5 11.817 -11.190 14.013 1.00 0.00 C ATOM 59 CE LYS A 5 13.279 -10.876 14.295 1.00 0.00 C ATOM 60 NZ LYS A 5 14.194 -11.760 13.535 1.00 0.00 N ATOM 0 H LYS A 5 9.868 -15.013 12.870 1.00 0.00 H new ATOM 0 HA LYS A 5 10.168 -14.461 15.710 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.669 -12.786 13.258 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.459 -12.133 14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.830 -12.831 15.394 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.013 -13.305 13.717 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.604 -11.024 12.957 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.181 -10.508 14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.483 -9.837 14.038 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.474 -10.984 15.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.169 -11.408 13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.140 -12.726 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.916 -11.768 12.533 1.00 0.00 H new ATOM 74 N LEU A 6 7.441 -15.354 14.589 1.00 0.00 N ATOM 75 CA LEU A 6 6.011 -15.553 14.805 1.00 0.00 C ATOM 76 C LEU A 6 5.715 -15.632 16.281 1.00 0.00 C ATOM 77 O LEU A 6 4.689 -15.153 16.733 1.00 0.00 O ATOM 78 CB LEU A 6 5.508 -16.827 14.100 1.00 0.00 C ATOM 79 CG LEU A 6 4.003 -17.103 14.221 1.00 0.00 C ATOM 80 CD1 LEU A 6 3.193 -15.964 13.615 1.00 0.00 C ATOM 81 CD2 LEU A 6 3.650 -18.421 13.556 1.00 0.00 C ATOM 0 H LEU A 6 7.873 -16.061 13.994 1.00 0.00 H new ATOM 0 HA LEU A 6 5.486 -14.699 14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.763 -16.760 13.042 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.049 -17.682 14.505 1.00 0.00 H new ATOM 0 HG LEU A 6 3.753 -17.171 15.280 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.129 -16.182 13.712 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.423 -15.036 14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.447 -15.858 12.560 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.579 -18.601 13.651 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.919 -18.379 12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.198 -19.230 14.038 1.00 0.00 H new ATOM 93 N THR A 7 6.614 -16.277 17.026 1.00 0.00 N ATOM 94 CA THR A 7 6.487 -16.337 18.483 1.00 0.00 C ATOM 95 C THR A 7 6.171 -14.940 19.070 1.00 0.00 C ATOM 96 O THR A 7 5.258 -14.791 19.884 1.00 0.00 O ATOM 97 CB THR A 7 7.765 -16.906 19.138 1.00 0.00 C ATOM 98 OG1 THR A 7 8.086 -18.175 18.550 1.00 0.00 O ATOM 99 CG2 THR A 7 7.576 -17.080 20.641 1.00 0.00 C ATOM 0 H THR A 7 7.430 -16.760 16.650 1.00 0.00 H new ATOM 0 HA THR A 7 5.658 -17.008 18.707 1.00 0.00 H new ATOM 0 HB THR A 7 8.579 -16.201 18.968 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.898 -18.532 18.966 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.490 -17.482 21.079 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.351 -16.114 21.094 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.752 -17.768 20.827 1.00 0.00 H new ATOM 107 N ALA A 8 6.925 -13.931 18.641 1.00 0.00 N ATOM 108 CA ALA A 8 6.686 -12.554 19.086 1.00 0.00 C ATOM 109 C ALA A 8 5.515 -11.917 18.331 1.00 0.00 C ATOM 110 O ALA A 8 4.625 -11.299 18.944 1.00 0.00 O ATOM 111 CB ALA A 8 7.947 -11.700 18.939 1.00 0.00 C ATOM 0 H ALA A 8 7.703 -14.036 17.990 1.00 0.00 H new ATOM 0 HA ALA A 8 6.422 -12.596 20.143 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.740 -10.684 19.276 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.748 -12.127 19.543 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.253 -11.680 17.893 1.00 0.00 H new ATOM 117 N ASP A 9 5.514 -12.079 17.006 1.00 0.00 N ATOM 118 CA ASP A 9 4.457 -11.517 16.147 1.00 0.00 C ATOM 119 C ASP A 9 3.078 -11.955 16.600 1.00 0.00 C ATOM 120 O ASP A 9 2.116 -11.222 16.449 1.00 0.00 O ATOM 121 CB ASP A 9 4.645 -11.921 14.676 1.00 0.00 C ATOM 122 CG ASP A 9 5.848 -11.290 14.010 1.00 0.00 C ATOM 123 OD1 ASP A 9 5.920 -10.056 13.951 1.00 0.00 O ATOM 124 OD2 ASP A 9 6.705 -12.038 13.491 1.00 0.00 O ATOM 0 H ASP A 9 6.233 -12.595 16.499 1.00 0.00 H new ATOM 0 HA ASP A 9 4.538 -10.434 16.234 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.738 -13.005 14.617 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.749 -11.647 14.118 1.00 0.00 H new ATOM 129 N ALA A 10 2.994 -13.154 17.159 1.00 0.00 N ATOM 130 CA ALA A 10 1.719 -13.730 17.617 1.00 0.00 C ATOM 131 C ALA A 10 0.958 -12.785 18.536 1.00 0.00 C ATOM 132 O ALA A 10 -0.261 -12.686 18.453 1.00 0.00 O ATOM 133 CB ALA A 10 1.939 -15.074 18.314 1.00 0.00 C ATOM 0 H ALA A 10 3.800 -13.760 17.311 1.00 0.00 H new ATOM 0 HA ALA A 10 1.112 -13.889 16.726 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.980 -15.475 18.641 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.406 -15.772 17.619 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.588 -14.934 19.179 1.00 0.00 H new ATOM 139 N GLU A 11 1.674 -12.078 19.392 1.00 0.00 N ATOM 140 CA GLU A 11 1.027 -11.163 20.322 1.00 0.00 C ATOM 141 C GLU A 11 0.616 -9.899 19.584 1.00 0.00 C ATOM 142 O GLU A 11 -0.512 -9.412 19.723 1.00 0.00 O ATOM 143 CB GLU A 11 1.952 -10.824 21.503 1.00 0.00 C ATOM 144 CG GLU A 11 2.414 -12.037 22.298 1.00 0.00 C ATOM 145 CD GLU A 11 3.191 -11.664 23.539 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.219 -10.966 23.417 1.00 0.00 O ATOM 147 OE2 GLU A 11 2.794 -12.086 24.643 1.00 0.00 O ATOM 0 H GLU A 11 2.691 -12.117 19.465 1.00 0.00 H new ATOM 0 HA GLU A 11 0.140 -11.648 20.730 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.827 -10.296 21.125 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.432 -10.140 22.174 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.545 -12.630 22.584 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.035 -12.667 21.662 1.00 0.00 H new ATOM 154 N LEU A 12 1.540 -9.389 18.791 1.00 0.00 N ATOM 155 CA LEU A 12 1.330 -8.187 17.979 1.00 0.00 C ATOM 156 C LEU A 12 0.164 -8.372 17.005 1.00 0.00 C ATOM 157 O LEU A 12 -0.840 -7.649 17.055 1.00 0.00 O ATOM 158 CB LEU A 12 2.604 -7.874 17.160 1.00 0.00 C ATOM 159 CG LEU A 12 3.849 -7.345 17.915 1.00 0.00 C ATOM 160 CD1 LEU A 12 4.131 -8.120 19.194 1.00 0.00 C ATOM 161 CD2 LEU A 12 5.053 -7.423 17.000 1.00 0.00 C ATOM 0 H LEU A 12 2.469 -9.796 18.686 1.00 0.00 H new ATOM 0 HA LEU A 12 1.102 -7.366 18.659 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.895 -8.784 16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.339 -7.139 16.400 1.00 0.00 H new ATOM 0 HG LEU A 12 3.647 -6.313 18.202 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.014 -7.707 19.682 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.275 -8.040 19.864 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.307 -9.168 18.953 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.933 -7.052 17.525 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.217 -8.459 16.702 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.876 -6.814 16.113 1.00 0.00 H new ATOM 173 N GLN A 13 0.308 -9.355 16.131 1.00 0.00 N ATOM 174 CA GLN A 13 -0.652 -9.624 15.075 1.00 0.00 C ATOM 175 C GLN A 13 -2.010 -10.064 15.613 1.00 0.00 C ATOM 176 O GLN A 13 -3.001 -10.003 14.897 1.00 0.00 O ATOM 177 CB GLN A 13 -0.098 -10.665 14.106 1.00 0.00 C ATOM 178 CG GLN A 13 1.248 -10.280 13.502 1.00 0.00 C ATOM 179 CD GLN A 13 1.779 -11.322 12.541 1.00 0.00 C ATOM 180 OE1 GLN A 13 1.481 -12.505 12.665 1.00 0.00 O ATOM 181 NE2 GLN A 13 2.579 -10.888 11.586 1.00 0.00 N ATOM 0 H GLN A 13 1.103 -9.994 16.136 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.812 -8.686 14.543 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.006 -11.616 14.628 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.817 -10.820 13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.148 -9.328 12.980 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.971 -10.129 14.304 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.801 -9.895 11.519 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.975 -11.546 10.915 1.00 0.00 H new ATOM 190 N ARG A 14 -2.055 -10.515 16.861 1.00 0.00 N ATOM 191 CA ARG A 14 -3.334 -10.892 17.469 1.00 0.00 C ATOM 192 C ARG A 14 -4.093 -9.646 17.896 1.00 0.00 C ATOM 193 O ARG A 14 -5.286 -9.511 17.633 1.00 0.00 O ATOM 194 CB ARG A 14 -3.151 -11.824 18.673 1.00 0.00 C ATOM 195 CG ARG A 14 -4.464 -12.212 19.329 1.00 0.00 C ATOM 196 CD ARG A 14 -4.250 -13.066 20.559 1.00 0.00 C ATOM 197 NE ARG A 14 -5.515 -13.364 21.233 1.00 0.00 N ATOM 198 CZ ARG A 14 -5.636 -14.144 22.303 1.00 0.00 C ATOM 199 NH1 ARG A 14 -4.569 -14.750 22.814 1.00 0.00 N ATOM 200 NH2 ARG A 14 -6.829 -14.318 22.862 1.00 0.00 N ATOM 0 H ARG A 14 -1.241 -10.629 17.465 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.904 -11.435 16.715 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.632 -12.727 18.351 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.514 -11.335 19.410 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.013 -11.311 19.604 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.081 -12.755 18.613 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.760 -13.997 20.276 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.582 -12.551 21.249 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.364 -12.943 20.855 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.653 -14.617 22.385 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.666 -15.348 23.635 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.648 -13.854 22.470 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.925 -14.916 23.683 1.00 0.00 H new ATOM 214 N LEU A 15 -3.385 -8.728 18.545 1.00 0.00 N ATOM 215 CA LEU A 15 -3.977 -7.473 18.994 1.00 0.00 C ATOM 216 C LEU A 15 -4.488 -6.682 17.800 1.00 0.00 C ATOM 217 O LEU A 15 -5.583 -6.121 17.830 1.00 0.00 O ATOM 218 CB LEU A 15 -2.940 -6.644 19.764 1.00 0.00 C ATOM 219 CG LEU A 15 -3.423 -5.291 20.290 1.00 0.00 C ATOM 220 CD1 LEU A 15 -4.499 -5.473 21.350 1.00 0.00 C ATOM 221 CD2 LEU A 15 -2.257 -4.491 20.842 1.00 0.00 C ATOM 0 H LEU A 15 -2.396 -8.830 18.773 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.813 -7.697 19.657 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.586 -7.235 20.609 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.083 -6.474 19.112 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.860 -4.738 19.459 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.826 -4.497 21.708 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.348 -6.004 20.919 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.095 -6.049 22.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.617 -3.531 21.212 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.791 -5.043 21.658 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.524 -4.324 20.052 1.00 0.00 H new ATOM 233 N LYS A 16 -3.688 -6.654 16.756 1.00 0.00 N ATOM 234 CA LYS A 16 -4.038 -5.956 15.528 1.00 0.00 C ATOM 235 C LYS A 16 -4.985 -6.798 14.674 1.00 0.00 C ATOM 236 O LYS A 16 -5.618 -6.289 13.752 1.00 0.00 O ATOM 237 CB LYS A 16 -2.773 -5.642 14.725 1.00 0.00 C ATOM 238 CG LYS A 16 -1.737 -4.815 15.477 1.00 0.00 C ATOM 239 CD LYS A 16 -0.430 -4.712 14.694 1.00 0.00 C ATOM 240 CE LYS A 16 -0.627 -4.013 13.357 1.00 0.00 C ATOM 241 NZ LYS A 16 0.620 -3.987 12.550 1.00 0.00 N ATOM 0 H LYS A 16 -2.777 -7.112 16.730 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.541 -5.027 15.797 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.314 -6.580 14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.057 -5.108 13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.132 -3.816 15.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.545 -5.267 16.450 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.306 -4.166 15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.027 -5.711 14.526 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.411 -4.521 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.968 -2.992 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.424 -3.563 11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.341 -3.423 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.970 -4.958 12.420 1.00 0.00 H new ATOM 255 N ASN A 17 -5.095 -8.086 15.019 1.00 0.00 N ATOM 256 CA ASN A 17 -5.877 -9.059 14.247 1.00 0.00 C ATOM 257 C ASN A 17 -5.507 -8.999 12.768 1.00 0.00 C ATOM 258 O ASN A 17 -6.333 -8.670 11.914 1.00 0.00 O ATOM 259 CB ASN A 17 -7.387 -8.857 14.434 1.00 0.00 C ATOM 260 CG ASN A 17 -8.203 -9.970 13.788 1.00 0.00 C ATOM 261 OD1 ASN A 17 -7.767 -11.121 13.716 1.00 0.00 O ATOM 262 ND2 ASN A 17 -9.383 -9.635 13.306 1.00 0.00 N ATOM 0 H ASN A 17 -4.644 -8.484 15.843 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.629 -10.049 14.629 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.616 -8.812 15.499 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.679 -7.899 14.004 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.968 -10.338 12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.711 -8.672 13.384 1.00 0.00 H new ATOM 269 N GLU A 18 -4.254 -9.296 12.477 1.00 0.00 N ATOM 270 CA GLU A 18 -3.769 -9.246 11.116 1.00 0.00 C ATOM 271 C GLU A 18 -4.099 -10.540 10.356 1.00 0.00 C ATOM 272 O GLU A 18 -5.072 -10.578 9.605 1.00 0.00 O ATOM 273 CB GLU A 18 -2.257 -8.921 11.071 1.00 0.00 C ATOM 274 CG GLU A 18 -1.907 -7.534 11.584 1.00 0.00 C ATOM 275 CD GLU A 18 -2.622 -6.426 10.840 1.00 0.00 C ATOM 276 OE1 GLU A 18 -2.230 -6.125 9.698 1.00 0.00 O ATOM 277 OE2 GLU A 18 -3.564 -5.845 11.400 1.00 0.00 O ATOM 0 H GLU A 18 -3.556 -9.574 13.167 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.289 -8.434 10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.719 -9.662 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.906 -9.016 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.156 -7.472 12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.831 -7.383 11.501 1.00 0.00 H new ATOM 284 N ARG A 19 -3.307 -11.602 10.570 1.00 0.00 N ATOM 285 CA ARG A 19 -3.498 -12.885 9.890 1.00 0.00 C ATOM 286 C ARG A 19 -3.576 -12.711 8.362 1.00 0.00 C ATOM 287 O ARG A 19 -4.309 -13.421 7.672 1.00 0.00 O ATOM 288 CB ARG A 19 -4.737 -13.612 10.424 1.00 0.00 C ATOM 289 CG ARG A 19 -4.758 -15.086 10.068 1.00 0.00 C ATOM 290 CD ARG A 19 -5.889 -15.816 10.744 1.00 0.00 C ATOM 291 NE ARG A 19 -5.791 -17.253 10.524 1.00 0.00 N ATOM 292 CZ ARG A 19 -5.978 -18.171 11.465 1.00 0.00 C ATOM 293 NH1 ARG A 19 -6.353 -17.809 12.692 1.00 0.00 N ATOM 294 NH2 ARG A 19 -5.802 -19.452 11.176 1.00 0.00 N ATOM 0 H ARG A 19 -2.519 -11.592 11.218 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.625 -13.501 10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.775 -13.505 11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.632 -13.135 10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.850 -15.196 8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.810 -15.541 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.873 -15.607 11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.842 -15.450 10.362 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.563 -17.576 9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.497 -16.823 12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.495 -18.518 13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.524 -19.729 10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.944 -20.161 11.895 1.00 0.00 H new ATOM 308 N HIS A 20 -2.827 -11.750 7.842 1.00 0.00 N ATOM 309 CA HIS A 20 -2.759 -11.543 6.405 1.00 0.00 C ATOM 310 C HIS A 20 -1.320 -11.570 5.927 1.00 0.00 C ATOM 311 O HIS A 20 -1.052 -11.448 4.737 1.00 0.00 O ATOM 312 CB HIS A 20 -3.434 -10.229 5.991 1.00 0.00 C ATOM 313 CG HIS A 20 -4.929 -10.272 6.065 1.00 0.00 C ATOM 314 ND1 HIS A 20 -5.697 -11.095 5.267 1.00 0.00 N ATOM 315 CD2 HIS A 20 -5.797 -9.603 6.852 1.00 0.00 C ATOM 316 CE1 HIS A 20 -6.973 -10.925 5.565 1.00 0.00 C ATOM 317 NE2 HIS A 20 -7.061 -10.029 6.523 1.00 0.00 N ATOM 0 H HIS A 20 -2.260 -11.104 8.392 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.302 -12.361 5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.070 -9.426 6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.136 -9.983 4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.545 -8.868 7.602 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.803 -11.436 5.100 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.927 -9.703 6.952 1.00 0.00 H new ATOM 325 N GLU A 21 -0.396 -11.763 6.860 1.00 0.00 N ATOM 326 CA GLU A 21 1.023 -11.781 6.528 1.00 0.00 C ATOM 327 C GLU A 21 1.372 -13.037 5.744 1.00 0.00 C ATOM 328 O GLU A 21 2.267 -13.025 4.911 1.00 0.00 O ATOM 329 CB GLU A 21 1.898 -11.664 7.787 1.00 0.00 C ATOM 330 CG GLU A 21 3.388 -11.569 7.489 1.00 0.00 C ATOM 331 CD GLU A 21 4.218 -11.355 8.729 1.00 0.00 C ATOM 332 OE1 GLU A 21 4.238 -12.250 9.599 1.00 0.00 O ATOM 333 OE2 GLU A 21 4.867 -10.304 8.840 1.00 0.00 O ATOM 0 H GLU A 21 -0.602 -11.909 7.848 1.00 0.00 H new ATOM 0 HA GLU A 21 1.229 -10.913 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.592 -10.783 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.718 -12.529 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.714 -12.483 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.563 -10.748 6.793 1.00 0.00 H new ATOM 340 N GLU A 22 0.642 -14.114 5.998 1.00 0.00 N ATOM 341 CA GLU A 22 0.853 -15.360 5.280 1.00 0.00 C ATOM 342 C GLU A 22 0.431 -15.199 3.825 1.00 0.00 C ATOM 343 O GLU A 22 1.044 -15.771 2.921 1.00 0.00 O ATOM 344 CB GLU A 22 0.100 -16.536 5.937 1.00 0.00 C ATOM 345 CG GLU A 22 -1.362 -16.254 6.277 1.00 0.00 C ATOM 346 CD GLU A 22 -1.534 -15.643 7.653 1.00 0.00 C ATOM 347 OE1 GLU A 22 -2.012 -16.347 8.558 1.00 0.00 O ATOM 348 OE2 GLU A 22 -1.169 -14.464 7.836 1.00 0.00 O ATOM 0 H GLU A 22 -0.101 -14.149 6.696 1.00 0.00 H new ATOM 0 HA GLU A 22 1.917 -15.595 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.143 -17.395 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.623 -16.818 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.781 -15.580 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.929 -17.183 6.223 1.00 0.00 H new ATOM 355 N ALA A 23 -0.616 -14.413 3.608 1.00 0.00 N ATOM 356 CA ALA A 23 -1.086 -14.123 2.257 1.00 0.00 C ATOM 357 C ALA A 23 -0.089 -13.227 1.542 1.00 0.00 C ATOM 358 O ALA A 23 0.257 -13.462 0.381 1.00 0.00 O ATOM 359 CB ALA A 23 -2.472 -13.474 2.279 1.00 0.00 C ATOM 0 H ALA A 23 -1.156 -13.965 4.348 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.170 -15.065 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.795 -13.270 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.182 -14.149 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.427 -12.540 2.839 1.00 0.00 H new ATOM 365 N GLU A 24 0.391 -12.207 2.251 1.00 0.00 N ATOM 366 CA GLU A 24 1.379 -11.293 1.697 1.00 0.00 C ATOM 367 C GLU A 24 2.688 -12.023 1.441 1.00 0.00 C ATOM 368 O GLU A 24 3.433 -11.681 0.526 1.00 0.00 O ATOM 369 CB GLU A 24 1.614 -10.110 2.636 1.00 0.00 C ATOM 370 CG GLU A 24 0.360 -9.308 2.944 1.00 0.00 C ATOM 371 CD GLU A 24 0.669 -8.017 3.661 1.00 0.00 C ATOM 372 OE1 GLU A 24 0.767 -6.975 2.987 1.00 0.00 O ATOM 373 OE2 GLU A 24 0.840 -8.037 4.895 1.00 0.00 O ATOM 0 H GLU A 24 0.110 -11.996 3.209 1.00 0.00 H new ATOM 0 HA GLU A 24 0.995 -10.911 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.036 -10.479 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.357 -9.448 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.166 -9.088 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.312 -9.909 3.556 1.00 0.00 H new ATOM 380 N LEU A 25 2.955 -13.032 2.262 1.00 0.00 N ATOM 381 CA LEU A 25 4.142 -13.862 2.124 1.00 0.00 C ATOM 382 C LEU A 25 4.173 -14.503 0.741 1.00 0.00 C ATOM 383 O LEU A 25 5.199 -14.506 0.072 1.00 0.00 O ATOM 384 CB LEU A 25 4.153 -14.944 3.212 1.00 0.00 C ATOM 385 CG LEU A 25 5.424 -15.783 3.316 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.602 -14.922 3.746 1.00 0.00 C ATOM 387 CD2 LEU A 25 5.221 -16.936 4.289 1.00 0.00 C ATOM 0 H LEU A 25 2.353 -13.296 3.042 1.00 0.00 H new ATOM 0 HA LEU A 25 5.028 -13.238 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.980 -14.463 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.313 -15.616 3.036 1.00 0.00 H new ATOM 0 HG LEU A 25 5.645 -16.196 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.498 -15.539 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.761 -14.131 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.392 -14.478 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.136 -17.525 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.975 -16.541 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.406 -17.569 3.938 1.00 0.00 H new ATOM 399 N GLU A 26 3.024 -15.022 0.309 1.00 0.00 N ATOM 400 CA GLU A 26 2.906 -15.636 -1.014 1.00 0.00 C ATOM 401 C GLU A 26 3.171 -14.605 -2.101 1.00 0.00 C ATOM 402 O GLU A 26 3.802 -14.902 -3.116 1.00 0.00 O ATOM 403 CB GLU A 26 1.515 -16.248 -1.213 1.00 0.00 C ATOM 404 CG GLU A 26 1.238 -17.474 -0.356 1.00 0.00 C ATOM 405 CD GLU A 26 2.257 -18.569 -0.565 1.00 0.00 C ATOM 406 OE1 GLU A 26 2.330 -19.120 -1.685 1.00 0.00 O ATOM 407 OE2 GLU A 26 2.982 -18.899 0.392 1.00 0.00 O ATOM 0 H GLU A 26 2.162 -15.030 0.855 1.00 0.00 H new ATOM 0 HA GLU A 26 3.649 -16.431 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.763 -15.490 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.398 -16.519 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.231 -17.185 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.244 -17.858 -0.587 1.00 0.00 H new ATOM 414 N ARG A 27 2.692 -13.392 -1.870 1.00 0.00 N ATOM 415 CA ARG A 27 2.900 -12.291 -2.811 1.00 0.00 C ATOM 416 C ARG A 27 4.391 -11.997 -2.940 1.00 0.00 C ATOM 417 O ARG A 27 4.901 -11.764 -4.038 1.00 0.00 O ATOM 418 CB ARG A 27 2.143 -11.028 -2.349 1.00 0.00 C ATOM 419 CG ARG A 27 2.231 -9.858 -3.316 1.00 0.00 C ATOM 420 CD ARG A 27 1.417 -8.670 -2.819 1.00 0.00 C ATOM 421 NE ARG A 27 1.971 -8.086 -1.592 1.00 0.00 N ATOM 422 CZ ARG A 27 1.262 -7.816 -0.488 1.00 0.00 C ATOM 423 NH1 ARG A 27 -0.017 -8.173 -0.406 1.00 0.00 N ATOM 424 NH2 ARG A 27 1.847 -7.212 0.545 1.00 0.00 N ATOM 0 H ARG A 27 2.156 -13.141 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 27 2.508 -12.585 -3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.094 -11.282 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.537 -10.716 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.273 -9.562 -3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.869 -10.166 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.381 -7.907 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.391 -8.988 -2.636 1.00 0.00 H new ATOM 0 HE ARG A 27 2.968 -7.870 -1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.463 -8.655 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.552 -7.965 0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.833 -6.956 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.309 -7.005 1.387 1.00 0.00 H new ATOM 438 N LEU A 28 5.082 -12.038 -1.810 1.00 0.00 N ATOM 439 CA LEU A 28 6.518 -11.811 -1.769 1.00 0.00 C ATOM 440 C LEU A 28 7.265 -12.919 -2.512 1.00 0.00 C ATOM 441 O LEU A 28 8.153 -12.643 -3.322 1.00 0.00 O ATOM 442 CB LEU A 28 7.002 -11.736 -0.319 1.00 0.00 C ATOM 443 CG LEU A 28 6.386 -10.631 0.540 1.00 0.00 C ATOM 444 CD1 LEU A 28 6.873 -10.738 1.976 1.00 0.00 C ATOM 445 CD2 LEU A 28 6.715 -9.263 -0.032 1.00 0.00 C ATOM 0 H LEU A 28 4.664 -12.229 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 28 6.726 -10.862 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.801 -12.695 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.084 -11.603 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 28 5.303 -10.755 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.424 -9.944 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.586 -11.706 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.958 -10.641 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.268 -8.490 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.796 -9.129 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.317 -9.186 -1.044 1.00 0.00 H new ATOM 457 N LYS A 29 6.884 -14.174 -2.242 1.00 0.00 N ATOM 458 CA LYS A 29 7.512 -15.332 -2.889 1.00 0.00 C ATOM 459 C LYS A 29 7.296 -15.282 -4.396 1.00 0.00 C ATOM 460 O LYS A 29 8.133 -15.737 -5.176 1.00 0.00 O ATOM 461 CB LYS A 29 6.922 -16.652 -2.364 1.00 0.00 C ATOM 462 CG LYS A 29 6.908 -16.807 -0.850 1.00 0.00 C ATOM 463 CD LYS A 29 8.296 -16.731 -0.246 1.00 0.00 C ATOM 464 CE LYS A 29 8.245 -17.006 1.249 1.00 0.00 C ATOM 465 NZ LYS A 29 9.546 -16.764 1.912 1.00 0.00 N ATOM 0 H LYS A 29 6.145 -14.413 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 29 8.576 -15.291 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.900 -16.744 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.490 -17.479 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.282 -16.028 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.454 -17.763 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.950 -17.455 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.723 -15.744 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.484 -16.373 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.942 -18.040 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.942 -17.668 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.203 -16.322 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.408 -16.132 2.726 1.00 0.00 H new ATOM 479 N SER A 30 6.168 -14.725 -4.792 1.00 0.00 N ATOM 480 CA SER A 30 5.805 -14.652 -6.190 1.00 0.00 C ATOM 481 C SER A 30 6.568 -13.534 -6.905 1.00 0.00 C ATOM 482 O SER A 30 7.036 -13.717 -8.035 1.00 0.00 O ATOM 483 CB SER A 30 4.285 -14.453 -6.348 1.00 0.00 C ATOM 484 OG SER A 30 3.883 -14.618 -7.697 1.00 0.00 O ATOM 0 H SER A 30 5.483 -14.314 -4.158 1.00 0.00 H new ATOM 0 HA SER A 30 6.082 -15.598 -6.654 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.755 -15.167 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.008 -13.457 -6.003 1.00 0.00 H new ATOM 0 HG SER A 30 2.914 -14.488 -7.768 1.00 0.00 H new ATOM 490 N GLU A 31 6.716 -12.393 -6.244 1.00 0.00 N ATOM 491 CA GLU A 31 7.381 -11.251 -6.854 1.00 0.00 C ATOM 492 C GLU A 31 8.901 -11.412 -6.850 1.00 0.00 C ATOM 493 O GLU A 31 9.530 -11.437 -7.914 1.00 0.00 O ATOM 494 CB GLU A 31 6.975 -9.946 -6.164 1.00 0.00 C ATOM 495 CG GLU A 31 7.508 -8.702 -6.860 1.00 0.00 C ATOM 496 CD GLU A 31 6.904 -7.424 -6.327 1.00 0.00 C ATOM 497 OE1 GLU A 31 7.667 -6.551 -5.850 1.00 0.00 O ATOM 498 OE2 GLU A 31 5.665 -7.280 -6.390 1.00 0.00 O ATOM 0 H GLU A 31 6.387 -12.235 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 31 7.056 -11.206 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.887 -9.890 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.336 -9.960 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.591 -8.662 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.306 -8.775 -7.929 1.00 0.00 H new ATOM 505 N ARG A 32 9.490 -11.549 -5.669 1.00 0.00 N ATOM 506 CA ARG A 32 10.939 -11.673 -5.550 1.00 0.00 C ATOM 507 C ARG A 32 11.324 -12.218 -4.179 1.00 0.00 C ATOM 508 O ARG A 32 11.020 -11.607 -3.155 1.00 0.00 O ATOM 509 CB ARG A 32 11.619 -10.315 -5.789 1.00 0.00 C ATOM 510 CG ARG A 32 13.137 -10.360 -5.697 1.00 0.00 C ATOM 511 CD ARG A 32 13.756 -8.990 -5.933 1.00 0.00 C ATOM 512 NE ARG A 32 13.540 -8.513 -7.299 1.00 0.00 N ATOM 513 CZ ARG A 32 13.801 -7.269 -7.710 1.00 0.00 C ATOM 514 NH1 ARG A 32 14.281 -6.372 -6.859 1.00 0.00 N ATOM 515 NH2 ARG A 32 13.591 -6.927 -8.976 1.00 0.00 N ATOM 0 H ARG A 32 8.989 -11.577 -4.781 1.00 0.00 H new ATOM 0 HA ARG A 32 11.282 -12.375 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.335 -9.946 -6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.242 -9.598 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.431 -10.728 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.525 -11.066 -6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.330 -8.275 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.826 -9.037 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 32 13.166 -9.173 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.452 -6.631 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.479 -5.423 -7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.230 -7.615 -9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.791 -5.977 -9.287 1.00 0.00 H new ATOM 529 N HIS A 33 12.012 -13.355 -4.167 1.00 0.00 N ATOM 530 CA HIS A 33 12.430 -14.002 -2.914 1.00 0.00 C ATOM 531 C HIS A 33 13.364 -13.112 -2.100 1.00 0.00 C ATOM 532 O HIS A 33 13.331 -13.126 -0.870 1.00 0.00 O ATOM 533 CB HIS A 33 13.093 -15.355 -3.191 1.00 0.00 C ATOM 534 CG HIS A 33 12.128 -16.417 -3.613 1.00 0.00 C ATOM 535 ND1 HIS A 33 11.692 -16.569 -4.910 1.00 0.00 N ATOM 536 CD2 HIS A 33 11.501 -17.379 -2.894 1.00 0.00 C ATOM 537 CE1 HIS A 33 10.838 -17.576 -4.973 1.00 0.00 C ATOM 538 NE2 HIS A 33 10.706 -18.082 -3.764 1.00 0.00 N ATOM 0 H HIS A 33 12.296 -13.854 -5.010 1.00 0.00 H new ATOM 0 HA HIS A 33 11.529 -14.168 -2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.846 -15.229 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.615 -15.686 -2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.607 -17.559 -1.834 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.335 -17.924 -5.863 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.109 -18.870 -3.514 1.00 0.00 H new ATOM 546 N ASP A 34 14.193 -12.345 -2.788 1.00 0.00 N ATOM 547 CA ASP A 34 15.104 -11.413 -2.112 1.00 0.00 C ATOM 548 C ASP A 34 14.319 -10.336 -1.369 1.00 0.00 C ATOM 549 O ASP A 34 14.614 -10.016 -0.211 1.00 0.00 O ATOM 550 CB ASP A 34 16.075 -10.762 -3.104 1.00 0.00 C ATOM 551 CG ASP A 34 16.900 -9.677 -2.458 1.00 0.00 C ATOM 552 OD1 ASP A 34 17.855 -9.996 -1.730 1.00 0.00 O ATOM 553 OD2 ASP A 34 16.594 -8.494 -2.668 1.00 0.00 O ATOM 0 H ASP A 34 14.260 -12.342 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 34 15.686 -11.988 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.737 -11.524 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.513 -10.342 -3.938 1.00 0.00 H new ATOM 558 N HIS A 35 13.308 -9.793 -2.037 1.00 0.00 N ATOM 559 CA HIS A 35 12.451 -8.775 -1.429 1.00 0.00 C ATOM 560 C HIS A 35 11.642 -9.393 -0.301 1.00 0.00 C ATOM 561 O HIS A 35 11.373 -8.747 0.708 1.00 0.00 O ATOM 562 CB HIS A 35 11.517 -8.123 -2.469 1.00 0.00 C ATOM 563 CG HIS A 35 10.541 -7.153 -1.870 1.00 0.00 C ATOM 564 ND1 HIS A 35 9.185 -7.374 -1.851 1.00 0.00 N ATOM 565 CD2 HIS A 35 10.732 -5.963 -1.251 1.00 0.00 C ATOM 566 CE1 HIS A 35 8.584 -6.368 -1.249 1.00 0.00 C ATOM 567 NE2 HIS A 35 9.499 -5.502 -0.875 1.00 0.00 N ATOM 0 H HIS A 35 13.060 -10.037 -2.996 1.00 0.00 H new ATOM 0 HA HIS A 35 13.090 -7.989 -1.027 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.121 -7.605 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.966 -8.905 -2.992 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.679 -5.471 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.520 -6.271 -1.090 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.319 -4.627 -0.383 1.00 0.00 H new ATOM 575 N ASP A 36 11.258 -10.650 -0.494 1.00 0.00 N ATOM 576 CA ASP A 36 10.534 -11.425 0.526 1.00 0.00 C ATOM 577 C ASP A 36 11.262 -11.374 1.858 1.00 0.00 C ATOM 578 O ASP A 36 10.691 -10.995 2.877 1.00 0.00 O ATOM 579 CB ASP A 36 10.367 -12.892 0.072 1.00 0.00 C ATOM 580 CG ASP A 36 10.054 -13.837 1.212 1.00 0.00 C ATOM 581 OD1 ASP A 36 10.998 -14.490 1.727 1.00 0.00 O ATOM 582 OD2 ASP A 36 8.884 -13.969 1.574 1.00 0.00 O ATOM 0 H ASP A 36 11.435 -11.165 -1.356 1.00 0.00 H new ATOM 0 HA ASP A 36 9.547 -10.980 0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.568 -12.948 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.282 -13.219 -0.422 1.00 0.00 H new ATOM 587 N LYS A 37 12.536 -11.723 1.828 1.00 0.00 N ATOM 588 CA LYS A 37 13.362 -11.737 3.031 1.00 0.00 C ATOM 589 C LYS A 37 13.469 -10.336 3.626 1.00 0.00 C ATOM 590 O LYS A 37 13.448 -10.156 4.851 1.00 0.00 O ATOM 591 CB LYS A 37 14.760 -12.292 2.715 1.00 0.00 C ATOM 592 CG LYS A 37 15.661 -12.435 3.927 1.00 0.00 C ATOM 593 CD LYS A 37 16.964 -13.145 3.575 1.00 0.00 C ATOM 594 CE LYS A 37 16.710 -14.567 3.076 1.00 0.00 C ATOM 595 NZ LYS A 37 15.908 -15.365 4.045 1.00 0.00 N ATOM 0 H LYS A 37 13.027 -12.003 0.979 1.00 0.00 H new ATOM 0 HA LYS A 37 12.887 -12.387 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.653 -13.267 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.244 -11.636 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.882 -11.449 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.140 -12.993 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.493 -12.578 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.611 -13.176 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.188 -14.528 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.664 -15.064 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.944 -16.370 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.299 -15.244 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.921 -15.038 4.031 1.00 0.00 H new ATOM 609 N LYS A 38 13.563 -9.351 2.756 1.00 0.00 N ATOM 610 CA LYS A 38 13.679 -7.961 3.178 1.00 0.00 C ATOM 611 C LYS A 38 12.398 -7.493 3.871 1.00 0.00 C ATOM 612 O LYS A 38 12.444 -6.931 4.955 1.00 0.00 O ATOM 613 CB LYS A 38 13.988 -7.052 1.973 1.00 0.00 C ATOM 614 CG LYS A 38 14.245 -5.597 2.333 1.00 0.00 C ATOM 615 CD LYS A 38 15.549 -5.431 3.097 1.00 0.00 C ATOM 616 CE LYS A 38 15.848 -3.964 3.372 1.00 0.00 C ATOM 617 NZ LYS A 38 16.026 -3.185 2.120 1.00 0.00 N ATOM 0 H LYS A 38 13.562 -9.484 1.745 1.00 0.00 H new ATOM 0 HA LYS A 38 14.502 -7.894 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.861 -7.444 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.152 -7.099 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.277 -4.997 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.419 -5.219 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.492 -5.975 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.366 -5.870 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.034 -3.532 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.751 -3.886 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.486 -2.278 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.619 -3.724 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.097 -3.007 1.687 1.00 0.00 H new ATOM 631 N GLU A 39 11.260 -7.770 3.250 1.00 0.00 N ATOM 632 CA GLU A 39 9.965 -7.312 3.765 1.00 0.00 C ATOM 633 C GLU A 39 9.540 -8.093 5.007 1.00 0.00 C ATOM 634 O GLU A 39 9.111 -7.503 5.997 1.00 0.00 O ATOM 635 CB GLU A 39 8.870 -7.419 2.688 1.00 0.00 C ATOM 636 CG GLU A 39 7.497 -6.955 3.158 1.00 0.00 C ATOM 637 CD GLU A 39 7.411 -5.457 3.358 1.00 0.00 C ATOM 638 OE1 GLU A 39 8.051 -4.928 4.289 1.00 0.00 O ATOM 639 OE2 GLU A 39 6.692 -4.796 2.581 1.00 0.00 O ATOM 0 H GLU A 39 11.201 -8.310 2.387 1.00 0.00 H new ATOM 0 HA GLU A 39 10.090 -6.266 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.166 -6.827 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.799 -8.455 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.747 -7.261 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.253 -7.455 4.095 1.00 0.00 H new ATOM 646 N ALA A 40 9.663 -9.415 4.948 1.00 0.00 N ATOM 647 CA ALA A 40 9.233 -10.284 6.057 1.00 0.00 C ATOM 648 C ALA A 40 9.860 -9.873 7.383 1.00 0.00 C ATOM 649 O ALA A 40 9.197 -9.898 8.426 1.00 0.00 O ATOM 650 CB ALA A 40 9.530 -11.755 5.761 1.00 0.00 C ATOM 0 H ALA A 40 10.055 -9.915 4.150 1.00 0.00 H new ATOM 0 HA ALA A 40 8.154 -10.161 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.200 -12.369 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.000 -12.059 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.602 -11.887 5.614 1.00 0.00 H new ATOM 656 N GLU A 41 11.123 -9.491 7.350 1.00 0.00 N ATOM 657 CA GLU A 41 11.803 -9.086 8.562 1.00 0.00 C ATOM 658 C GLU A 41 11.603 -7.599 8.836 1.00 0.00 C ATOM 659 O GLU A 41 11.494 -7.188 9.989 1.00 0.00 O ATOM 660 CB GLU A 41 13.286 -9.440 8.501 1.00 0.00 C ATOM 661 CG GLU A 41 13.534 -10.921 8.268 1.00 0.00 C ATOM 662 CD GLU A 41 14.962 -11.331 8.533 1.00 0.00 C ATOM 663 OE1 GLU A 41 15.745 -11.440 7.567 1.00 0.00 O ATOM 664 OE2 GLU A 41 15.301 -11.565 9.708 1.00 0.00 O ATOM 0 H GLU A 41 11.693 -9.453 6.505 1.00 0.00 H new ATOM 0 HA GLU A 41 11.361 -9.637 9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.758 -8.868 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.764 -9.139 9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.871 -11.500 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.276 -11.169 7.238 1.00 0.00 H new ATOM 671 N ARG A 42 11.525 -6.803 7.771 1.00 0.00 N ATOM 672 CA ARG A 42 11.327 -5.351 7.904 1.00 0.00 C ATOM 673 C ARG A 42 9.981 -5.049 8.548 1.00 0.00 C ATOM 674 O ARG A 42 9.892 -4.236 9.462 1.00 0.00 O ATOM 675 CB ARG A 42 11.413 -4.640 6.538 1.00 0.00 C ATOM 676 CG ARG A 42 11.261 -3.126 6.621 1.00 0.00 C ATOM 677 CD ARG A 42 11.235 -2.486 5.237 1.00 0.00 C ATOM 678 NE ARG A 42 10.031 -2.847 4.473 1.00 0.00 N ATOM 679 CZ ARG A 42 9.514 -2.106 3.485 1.00 0.00 C ATOM 680 NH1 ARG A 42 10.099 -0.970 3.120 1.00 0.00 N ATOM 681 NH2 ARG A 42 8.416 -2.506 2.863 1.00 0.00 N ATOM 0 H ARG A 42 11.595 -7.132 6.808 1.00 0.00 H new ATOM 0 HA ARG A 42 12.127 -4.974 8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.372 -4.875 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.638 -5.038 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.342 -2.881 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.085 -2.709 7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.285 -1.402 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.120 -2.794 4.681 1.00 0.00 H new ATOM 0 HE ARG A 42 9.559 -3.719 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.947 -0.658 3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.700 -0.410 2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.964 -3.379 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.022 -1.942 2.110 1.00 0.00 H new ATOM 695 N LYS A 43 8.944 -5.724 8.069 1.00 0.00 N ATOM 696 CA LYS A 43 7.583 -5.512 8.567 1.00 0.00 C ATOM 697 C LYS A 43 7.505 -5.743 10.074 1.00 0.00 C ATOM 698 O LYS A 43 7.010 -4.899 10.806 1.00 0.00 O ATOM 699 CB LYS A 43 6.580 -6.414 7.822 1.00 0.00 C ATOM 700 CG LYS A 43 5.122 -6.188 8.208 1.00 0.00 C ATOM 701 CD LYS A 43 4.178 -6.982 7.309 1.00 0.00 C ATOM 702 CE LYS A 43 4.201 -6.460 5.875 1.00 0.00 C ATOM 703 NZ LYS A 43 3.383 -7.297 4.959 1.00 0.00 N ATOM 0 H LYS A 43 9.016 -6.427 7.333 1.00 0.00 H new ATOM 0 HA LYS A 43 7.315 -4.473 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.689 -6.250 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.836 -7.456 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.970 -6.481 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.886 -5.126 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.463 -8.034 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.163 -6.923 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.829 -5.435 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.230 -6.432 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.428 -6.905 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.752 -8.269 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.395 -7.304 5.284 1.00 0.00 H new ATOM 717 N ALA A 44 8.024 -6.875 10.528 1.00 0.00 N ATOM 718 CA ALA A 44 7.994 -7.215 11.960 1.00 0.00 C ATOM 719 C ALA A 44 8.892 -6.287 12.773 1.00 0.00 C ATOM 720 O ALA A 44 8.512 -5.816 13.847 1.00 0.00 O ATOM 721 CB ALA A 44 8.406 -8.668 12.185 1.00 0.00 C ATOM 0 H ALA A 44 8.470 -7.576 9.936 1.00 0.00 H new ATOM 0 HA ALA A 44 6.967 -7.084 12.302 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.376 -8.894 13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.719 -9.327 11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.418 -8.821 11.810 1.00 0.00 H new ATOM 727 N LEU A 45 10.078 -6.019 12.248 1.00 0.00 N ATOM 728 CA LEU A 45 11.059 -5.178 12.930 1.00 0.00 C ATOM 729 C LEU A 45 10.560 -3.743 13.073 1.00 0.00 C ATOM 730 O LEU A 45 10.816 -3.087 14.084 1.00 0.00 O ATOM 731 CB LEU A 45 12.388 -5.200 12.160 1.00 0.00 C ATOM 732 CG LEU A 45 13.550 -4.423 12.783 1.00 0.00 C ATOM 733 CD1 LEU A 45 14.010 -5.085 14.068 1.00 0.00 C ATOM 734 CD2 LEU A 45 14.702 -4.315 11.795 1.00 0.00 C ATOM 0 H LEU A 45 10.389 -6.374 11.344 1.00 0.00 H new ATOM 0 HA LEU A 45 11.212 -5.580 13.932 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.697 -6.239 12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.210 -4.804 11.160 1.00 0.00 H new ATOM 0 HG LEU A 45 13.203 -3.418 13.024 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.837 -4.517 14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.184 -5.113 14.779 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.340 -6.102 13.855 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.522 -3.760 12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 45 15.045 -5.314 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.365 -3.794 10.899 1.00 0.00 H new ATOM 746 N GLU A 46 9.839 -3.275 12.073 1.00 0.00 N ATOM 747 CA GLU A 46 9.345 -1.901 12.060 1.00 0.00 C ATOM 748 C GLU A 46 8.001 -1.805 12.798 1.00 0.00 C ATOM 749 O GLU A 46 7.674 -0.772 13.386 1.00 0.00 O ATOM 750 CB GLU A 46 9.206 -1.401 10.599 1.00 0.00 C ATOM 751 CG GLU A 46 9.434 0.094 10.401 1.00 0.00 C ATOM 752 CD GLU A 46 8.395 0.954 11.071 1.00 0.00 C ATOM 753 OE1 GLU A 46 7.246 0.997 10.583 1.00 0.00 O ATOM 754 OE2 GLU A 46 8.722 1.607 12.083 1.00 0.00 O ATOM 0 H GLU A 46 9.578 -3.824 11.254 1.00 0.00 H new ATOM 0 HA GLU A 46 10.062 -1.264 12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.915 -1.946 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.208 -1.651 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.418 0.358 10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.443 0.314 9.333 1.00 0.00 H new ATOM 761 N ASP A 47 7.239 -2.889 12.777 1.00 0.00 N ATOM 762 CA ASP A 47 5.918 -2.895 13.423 1.00 0.00 C ATOM 763 C ASP A 47 6.036 -2.745 14.930 1.00 0.00 C ATOM 764 O ASP A 47 5.291 -1.976 15.544 1.00 0.00 O ATOM 765 CB ASP A 47 5.108 -4.153 13.083 1.00 0.00 C ATOM 766 CG ASP A 47 3.691 -4.081 13.633 1.00 0.00 C ATOM 767 OD1 ASP A 47 3.290 -4.980 14.391 1.00 0.00 O ATOM 768 OD2 ASP A 47 2.968 -3.112 13.309 1.00 0.00 O ATOM 0 H ASP A 47 7.500 -3.767 12.329 1.00 0.00 H new ATOM 0 HA ASP A 47 5.380 -2.034 13.025 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.071 -4.280 12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.611 -5.030 13.490 1.00 0.00 H new ATOM 773 N LYS A 48 6.967 -3.466 15.529 1.00 0.00 N ATOM 774 CA LYS A 48 7.148 -3.387 16.966 1.00 0.00 C ATOM 775 C LYS A 48 8.325 -2.450 17.322 1.00 0.00 C ATOM 776 O LYS A 48 9.130 -2.105 16.453 1.00 0.00 O ATOM 777 CB LYS A 48 7.365 -4.784 17.555 1.00 0.00 C ATOM 778 CG LYS A 48 8.650 -5.462 17.105 1.00 0.00 C ATOM 779 CD LYS A 48 8.660 -6.932 17.487 1.00 0.00 C ATOM 780 CE LYS A 48 9.989 -7.594 17.152 1.00 0.00 C ATOM 781 NZ LYS A 48 11.098 -7.080 17.996 1.00 0.00 N ATOM 0 H LYS A 48 7.602 -4.105 15.050 1.00 0.00 H new ATOM 0 HA LYS A 48 6.242 -2.967 17.403 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.369 -4.710 18.642 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.520 -5.416 17.282 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.757 -5.364 16.025 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.506 -4.961 17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.463 -7.031 18.554 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.855 -7.449 16.965 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.901 -8.672 17.287 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.224 -7.423 16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.904 -7.736 17.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.392 -6.144 17.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.776 -6.999 18.981 1.00 0.00 H new ATOM 795 N LEU A 49 8.434 -2.047 18.597 1.00 0.00 N ATOM 796 CA LEU A 49 9.501 -1.156 19.013 1.00 0.00 C ATOM 797 C LEU A 49 10.310 -1.783 20.132 1.00 0.00 C ATOM 798 O LEU A 49 11.203 -1.156 20.696 1.00 0.00 O ATOM 799 CB LEU A 49 8.949 0.212 19.456 1.00 0.00 C ATOM 800 CG LEU A 49 7.925 0.196 20.600 1.00 0.00 C ATOM 801 CD1 LEU A 49 8.205 1.333 21.572 1.00 0.00 C ATOM 802 CD2 LEU A 49 6.507 0.326 20.052 1.00 0.00 C ATOM 0 H LEU A 49 7.798 -2.327 19.343 1.00 0.00 H new ATOM 0 HA LEU A 49 10.152 -0.994 18.154 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.789 0.838 19.758 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.489 0.691 18.592 1.00 0.00 H new ATOM 0 HG LEU A 49 8.014 -0.755 21.125 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.472 1.311 22.379 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.206 1.218 21.988 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.138 2.286 21.047 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.795 0.313 20.877 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.412 1.265 19.506 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.299 -0.507 19.380 1.00 0.00 H new ATOM 814 N ALA A 50 9.995 -3.029 20.440 1.00 0.00 N ATOM 815 CA ALA A 50 10.684 -3.753 21.486 1.00 0.00 C ATOM 816 C ALA A 50 11.801 -4.591 20.891 1.00 0.00 C ATOM 817 O ALA A 50 11.784 -4.902 19.695 1.00 0.00 O ATOM 818 CB ALA A 50 9.706 -4.639 22.245 1.00 0.00 C ATOM 0 H ALA A 50 9.260 -3.561 19.974 1.00 0.00 H new ATOM 0 HA ALA A 50 11.117 -3.036 22.183 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.237 -5.178 23.029 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.927 -4.021 22.693 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.252 -5.353 21.557 1.00 0.00 H new ATOM 824 N ASP A 51 12.764 -4.959 21.717 1.00 0.00 N ATOM 825 CA ASP A 51 13.893 -5.760 21.263 1.00 0.00 C ATOM 826 C ASP A 51 13.492 -7.219 21.143 1.00 0.00 C ATOM 827 O ASP A 51 12.482 -7.635 21.710 1.00 0.00 O ATOM 828 CB ASP A 51 15.085 -5.625 22.217 1.00 0.00 C ATOM 829 CG ASP A 51 15.602 -4.206 22.316 1.00 0.00 C ATOM 830 OD1 ASP A 51 16.322 -3.761 21.394 1.00 0.00 O ATOM 831 OD2 ASP A 51 15.295 -3.526 23.321 1.00 0.00 O ATOM 0 H ASP A 51 12.789 -4.717 22.708 1.00 0.00 H new ATOM 0 HA ASP A 51 14.193 -5.389 20.283 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.791 -5.969 23.209 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.890 -6.277 21.879 1.00 0.00 H new ATOM 836 N TYR A 52 14.294 -7.985 20.410 1.00 0.00 N ATOM 837 CA TYR A 52 14.047 -9.410 20.179 1.00 0.00 C ATOM 838 C TYR A 52 12.715 -9.615 19.460 1.00 0.00 C ATOM 839 O TYR A 52 12.632 -9.270 18.267 1.00 0.00 O ATOM 840 CB TYR A 52 14.070 -10.204 21.495 1.00 0.00 C ATOM 841 CG TYR A 52 15.344 -10.049 22.296 1.00 0.00 C ATOM 842 CD1 TYR A 52 15.367 -9.272 23.446 1.00 0.00 C ATOM 843 CD2 TYR A 52 16.515 -10.681 21.907 1.00 0.00 C ATOM 844 CE1 TYR A 52 16.523 -9.130 24.186 1.00 0.00 C ATOM 845 CE2 TYR A 52 17.676 -10.542 22.643 1.00 0.00 C ATOM 846 CZ TYR A 52 17.672 -9.767 23.781 1.00 0.00 C ATOM 847 OH TYR A 52 18.825 -9.633 24.520 1.00 0.00 O ATOM 848 OXT TYR A 52 11.755 -10.125 20.088 1.00 0.00 O ATOM 0 H TYR A 52 15.138 -7.636 19.956 1.00 0.00 H new ATOM 0 HA TYR A 52 14.850 -9.786 19.545 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.228 -9.888 22.110 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.923 -11.260 21.270 1.00 0.00 H new ATOM 0 HD1 TYR A 52 14.466 -8.771 23.767 1.00 0.00 H new ATOM 0 HD2 TYR A 52 16.520 -11.291 21.016 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.525 -8.522 25.078 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.582 -11.039 22.327 1.00 0.00 H new ATOM 0 HH TYR A 52 19.545 -10.147 24.099 1.00 0.00 H new TER 858 TYR A 52