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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -0.0966 (180deg=-0.379) USER MOD Single : A 7 THR OG1 : rot 47:sc= 0.45 USER MOD Single : A 13 GLN : amide:sc= -0.0539 X(o=-0.054,f=-0.045) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.076 (180deg=-0.427) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 20 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=-0.0095) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -18:sc= 0.416 USER MOD Single : A 33 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.4!) USER MOD Single : A 35 HIS : no HD1:sc= 0.00368 X(o=0.0037,f=-0.37) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= -0.0238 (180deg=-0.169) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc=-0.00729 (180deg=-0.168) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0427 (180deg=-0.283) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 1.6 (180deg=0.797) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.315 -6.967 18.886 1.00 0.00 N ATOM 2 CA GLY A 1 -1.517 -6.910 17.649 1.00 0.00 C ATOM 3 C GLY A 1 -2.373 -7.057 16.412 1.00 0.00 C ATOM 4 O GLY A 1 -2.753 -6.060 15.792 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.688 -6.862 19.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.015 -6.197 18.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.807 -7.882 18.940 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.981 -5.962 17.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.766 -7.700 17.666 1.00 0.00 H new ATOM 10 N SER A 2 -2.670 -8.310 16.047 1.00 0.00 N ATOM 11 CA SER A 2 -3.492 -8.628 14.873 1.00 0.00 C ATOM 12 C SER A 2 -2.771 -8.264 13.567 1.00 0.00 C ATOM 13 O SER A 2 -3.368 -8.272 12.482 1.00 0.00 O ATOM 14 CB SER A 2 -4.852 -7.928 14.957 1.00 0.00 C ATOM 15 OG SER A 2 -5.540 -8.293 16.147 1.00 0.00 O ATOM 0 H SER A 2 -2.347 -9.132 16.557 1.00 0.00 H new ATOM 0 HA SER A 2 -3.660 -9.705 14.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.711 -6.847 14.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.455 -8.192 14.088 1.00 0.00 H new ATOM 0 HG SER A 2 -6.405 -7.833 16.179 1.00 0.00 H new ATOM 21 N VAL A 3 -1.480 -7.987 13.674 1.00 0.00 N ATOM 22 CA VAL A 3 -0.658 -7.640 12.529 1.00 0.00 C ATOM 23 C VAL A 3 -0.255 -8.932 11.788 1.00 0.00 C ATOM 24 O VAL A 3 0.927 -9.253 11.663 1.00 0.00 O ATOM 25 CB VAL A 3 0.620 -6.878 12.975 1.00 0.00 C ATOM 26 CG1 VAL A 3 1.322 -6.249 11.780 1.00 0.00 C ATOM 27 CG2 VAL A 3 0.278 -5.814 14.001 1.00 0.00 C ATOM 0 H VAL A 3 -0.974 -7.997 14.560 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.232 -6.990 11.868 1.00 0.00 H new ATOM 0 HB VAL A 3 1.298 -7.599 13.432 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.214 -5.721 12.118 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.608 -7.029 11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.648 -5.546 11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.187 -5.292 14.300 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.423 -5.102 13.567 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.175 -6.283 14.874 1.00 0.00 H new ATOM 37 N GLU A 4 -1.259 -9.677 11.322 1.00 0.00 N ATOM 38 CA GLU A 4 -1.031 -10.934 10.643 1.00 0.00 C ATOM 39 C GLU A 4 -2.079 -11.155 9.571 1.00 0.00 C ATOM 40 O GLU A 4 -1.750 -11.411 8.416 1.00 0.00 O ATOM 41 CB GLU A 4 -1.023 -12.095 11.650 1.00 0.00 C ATOM 42 CG GLU A 4 -2.155 -12.039 12.668 1.00 0.00 C ATOM 43 CD GLU A 4 -2.164 -13.226 13.597 1.00 0.00 C ATOM 44 OE1 GLU A 4 -3.185 -13.944 13.639 1.00 0.00 O ATOM 45 OE2 GLU A 4 -1.154 -13.458 14.283 1.00 0.00 O ATOM 0 H GLU A 4 -2.242 -9.420 11.408 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.054 -10.896 10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.085 -13.036 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.071 -12.096 12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.065 -11.125 13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.108 -11.988 12.142 1.00 0.00 H new ATOM 52 N LYS A 5 -3.343 -11.033 9.954 1.00 0.00 N ATOM 53 CA LYS A 5 -4.443 -11.190 9.023 1.00 0.00 C ATOM 54 C LYS A 5 -4.473 -10.005 8.074 1.00 0.00 C ATOM 55 O LYS A 5 -4.899 -10.116 6.926 1.00 0.00 O ATOM 56 CB LYS A 5 -5.761 -11.286 9.789 1.00 0.00 C ATOM 57 CG LYS A 5 -6.972 -11.550 8.917 1.00 0.00 C ATOM 58 CD LYS A 5 -8.236 -11.643 9.748 1.00 0.00 C ATOM 59 CE LYS A 5 -9.460 -11.848 8.872 1.00 0.00 C ATOM 60 NZ LYS A 5 -9.621 -10.752 7.878 1.00 0.00 N ATOM 0 H LYS A 5 -3.629 -10.824 10.911 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.306 -12.106 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.680 -12.082 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.918 -10.357 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.075 -10.752 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.829 -12.478 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.149 -12.469 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.355 -10.733 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.378 -12.802 8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.350 -11.903 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.591 -10.763 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.438 -9.837 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.947 -10.889 7.098 1.00 0.00 H new ATOM 74 N LEU A 6 -4.011 -8.873 8.571 1.00 0.00 N ATOM 75 CA LEU A 6 -3.950 -7.673 7.779 1.00 0.00 C ATOM 76 C LEU A 6 -2.679 -7.667 6.910 1.00 0.00 C ATOM 77 O LEU A 6 -2.749 -7.914 5.707 1.00 0.00 O ATOM 78 CB LEU A 6 -4.039 -6.414 8.677 1.00 0.00 C ATOM 79 CG LEU A 6 -5.280 -6.323 9.572 1.00 0.00 C ATOM 80 CD1 LEU A 6 -5.203 -5.098 10.468 1.00 0.00 C ATOM 81 CD2 LEU A 6 -6.549 -6.290 8.735 1.00 0.00 C ATOM 0 H LEU A 6 -3.672 -8.766 9.527 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.810 -7.653 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.153 -6.379 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.009 -5.531 8.038 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.310 -7.212 10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.093 -5.050 11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.317 -5.164 11.099 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.145 -4.200 9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.416 -6.225 9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.528 -5.422 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.614 -7.199 8.137 1.00 0.00 H new ATOM 93 N THR A 7 -1.515 -7.424 7.528 1.00 0.00 N ATOM 94 CA THR A 7 -0.281 -7.358 6.841 1.00 0.00 C ATOM 95 C THR A 7 0.823 -7.775 7.820 1.00 0.00 C ATOM 96 O THR A 7 1.193 -6.984 8.684 1.00 0.00 O ATOM 97 CB THR A 7 0.010 -5.908 6.376 1.00 0.00 C ATOM 98 OG1 THR A 7 -0.280 -4.984 7.439 1.00 0.00 O ATOM 99 CG2 THR A 7 -0.802 -5.539 5.148 1.00 0.00 C ATOM 0 H THR A 7 -1.436 -7.270 8.533 1.00 0.00 H new ATOM 0 HA THR A 7 -0.318 -8.011 5.969 1.00 0.00 H new ATOM 0 HB THR A 7 1.066 -5.851 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.111 -5.314 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.570 -4.516 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.555 -6.217 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.865 -5.619 5.377 1.00 0.00 H new ATOM 107 N ALA A 8 1.327 -8.981 7.724 1.00 0.00 N ATOM 108 CA ALA A 8 2.443 -9.380 8.577 1.00 0.00 C ATOM 109 C ALA A 8 3.736 -8.875 7.979 1.00 0.00 C ATOM 110 O ALA A 8 4.633 -8.411 8.683 1.00 0.00 O ATOM 111 CB ALA A 8 2.496 -10.900 8.750 1.00 0.00 C ATOM 0 H ALA A 8 0.997 -9.699 7.079 1.00 0.00 H new ATOM 0 HA ALA A 8 2.300 -8.941 9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.338 -11.164 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.569 -11.247 9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.619 -11.373 7.776 1.00 0.00 H new ATOM 117 N ASP A 9 3.793 -8.925 6.664 1.00 0.00 N ATOM 118 CA ASP A 9 4.983 -8.514 5.910 1.00 0.00 C ATOM 119 C ASP A 9 5.294 -7.042 6.150 1.00 0.00 C ATOM 120 O ASP A 9 6.455 -6.638 6.231 1.00 0.00 O ATOM 121 CB ASP A 9 4.797 -8.778 4.408 1.00 0.00 C ATOM 122 CG ASP A 9 3.811 -7.832 3.752 1.00 0.00 C ATOM 123 OD1 ASP A 9 2.594 -7.940 4.031 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.250 -6.980 2.961 1.00 0.00 O ATOM 0 H ASP A 9 3.023 -9.249 6.079 1.00 0.00 H new ATOM 0 HA ASP A 9 5.825 -9.109 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.762 -8.690 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.456 -9.804 4.266 1.00 0.00 H new ATOM 129 N ALA A 10 4.246 -6.257 6.275 1.00 0.00 N ATOM 130 CA ALA A 10 4.363 -4.811 6.511 1.00 0.00 C ATOM 131 C ALA A 10 5.091 -4.506 7.809 1.00 0.00 C ATOM 132 O ALA A 10 5.733 -3.463 7.936 1.00 0.00 O ATOM 133 CB ALA A 10 2.993 -4.138 6.506 1.00 0.00 C ATOM 0 H ALA A 10 3.284 -6.591 6.218 1.00 0.00 H new ATOM 0 HA ALA A 10 4.955 -4.405 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.112 -3.069 6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.514 -4.295 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.373 -4.569 7.292 1.00 0.00 H new ATOM 139 N GLU A 11 5.017 -5.421 8.762 1.00 0.00 N ATOM 140 CA GLU A 11 5.683 -5.231 10.044 1.00 0.00 C ATOM 141 C GLU A 11 7.124 -5.695 9.935 1.00 0.00 C ATOM 142 O GLU A 11 8.004 -5.235 10.658 1.00 0.00 O ATOM 143 CB GLU A 11 4.950 -5.999 11.157 1.00 0.00 C ATOM 144 CG GLU A 11 5.554 -5.819 12.538 1.00 0.00 C ATOM 145 CD GLU A 11 4.745 -6.500 13.616 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.839 -7.740 13.748 1.00 0.00 O ATOM 147 OE2 GLU A 11 4.014 -5.796 14.350 1.00 0.00 O ATOM 0 H GLU A 11 4.506 -6.299 8.675 1.00 0.00 H new ATOM 0 HA GLU A 11 5.665 -4.172 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.910 -5.675 11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.947 -7.061 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.568 -6.218 12.542 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.629 -4.755 12.762 1.00 0.00 H new ATOM 154 N LEU A 12 7.362 -6.567 8.976 1.00 0.00 N ATOM 155 CA LEU A 12 8.689 -7.116 8.752 1.00 0.00 C ATOM 156 C LEU A 12 9.537 -6.063 8.074 1.00 0.00 C ATOM 157 O LEU A 12 10.683 -5.816 8.458 1.00 0.00 O ATOM 158 CB LEU A 12 8.633 -8.374 7.871 1.00 0.00 C ATOM 159 CG LEU A 12 7.560 -9.413 8.221 1.00 0.00 C ATOM 160 CD1 LEU A 12 7.768 -10.676 7.428 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.529 -9.701 9.708 1.00 0.00 C ATOM 0 H LEU A 12 6.650 -6.914 8.334 1.00 0.00 H new ATOM 0 HA LEU A 12 9.120 -7.399 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.479 -8.060 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.606 -8.863 7.913 1.00 0.00 H new ATOM 0 HG LEU A 12 6.590 -8.996 7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.997 -11.401 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.708 -10.451 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.750 -11.091 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.757 -10.441 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.498 -10.087 10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.309 -8.782 10.252 1.00 0.00 H new ATOM 173 N GLN A 13 8.952 -5.430 7.064 1.00 0.00 N ATOM 174 CA GLN A 13 9.613 -4.362 6.344 1.00 0.00 C ATOM 175 C GLN A 13 9.805 -3.173 7.269 1.00 0.00 C ATOM 176 O GLN A 13 10.777 -2.435 7.157 1.00 0.00 O ATOM 177 CB GLN A 13 8.794 -3.951 5.116 1.00 0.00 C ATOM 178 CG GLN A 13 8.510 -5.094 4.144 1.00 0.00 C ATOM 179 CD GLN A 13 9.774 -5.763 3.640 1.00 0.00 C ATOM 180 OE1 GLN A 13 10.346 -5.355 2.635 1.00 0.00 O ATOM 181 NE2 GLN A 13 10.211 -6.799 4.330 1.00 0.00 N ATOM 0 H GLN A 13 8.013 -5.644 6.727 1.00 0.00 H new ATOM 0 HA GLN A 13 10.586 -4.715 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.846 -3.528 5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.326 -3.161 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.883 -5.837 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.944 -4.711 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.707 -7.108 5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.053 -7.291 4.032 1.00 0.00 H new ATOM 190 N ARG A 14 8.872 -3.013 8.200 1.00 0.00 N ATOM 191 CA ARG A 14 8.940 -1.940 9.188 1.00 0.00 C ATOM 192 C ARG A 14 10.186 -2.101 10.054 1.00 0.00 C ATOM 193 O ARG A 14 10.873 -1.126 10.357 1.00 0.00 O ATOM 194 CB ARG A 14 7.674 -1.923 10.062 1.00 0.00 C ATOM 195 CG ARG A 14 7.609 -0.777 11.057 1.00 0.00 C ATOM 196 CD ARG A 14 6.255 -0.734 11.740 1.00 0.00 C ATOM 197 NE ARG A 14 5.169 -0.519 10.774 1.00 0.00 N ATOM 198 CZ ARG A 14 3.989 -1.149 10.798 1.00 0.00 C ATOM 199 NH1 ARG A 14 3.719 -2.034 11.754 1.00 0.00 N ATOM 200 NH2 ARG A 14 3.078 -0.886 9.862 1.00 0.00 N ATOM 0 H ARG A 14 8.054 -3.616 8.292 1.00 0.00 H new ATOM 0 HA ARG A 14 9.001 -0.988 8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.800 -1.873 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.612 -2.865 10.607 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.395 -0.892 11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.793 0.167 10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.087 -1.669 12.275 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.246 0.064 12.482 1.00 0.00 H new ATOM 0 HE ARG A 14 5.326 0.161 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.413 -2.235 12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.818 -2.511 11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.281 -0.206 9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.178 -1.365 9.878 1.00 0.00 H new ATOM 214 N LEU A 15 10.485 -3.341 10.434 1.00 0.00 N ATOM 215 CA LEU A 15 11.669 -3.628 11.241 1.00 0.00 C ATOM 216 C LEU A 15 12.917 -3.435 10.406 1.00 0.00 C ATOM 217 O LEU A 15 13.957 -3.006 10.904 1.00 0.00 O ATOM 218 CB LEU A 15 11.629 -5.061 11.785 1.00 0.00 C ATOM 219 CG LEU A 15 10.421 -5.418 12.657 1.00 0.00 C ATOM 220 CD1 LEU A 15 10.523 -6.852 13.152 1.00 0.00 C ATOM 221 CD2 LEU A 15 10.292 -4.452 13.827 1.00 0.00 C ATOM 0 H LEU A 15 9.926 -4.161 10.197 1.00 0.00 H new ATOM 0 HA LEU A 15 11.682 -2.939 12.086 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.658 -5.749 10.940 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.535 -5.232 12.367 1.00 0.00 H new ATOM 0 HG LEU A 15 9.523 -5.330 12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.656 -7.086 13.769 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.555 -7.530 12.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.431 -6.969 13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.427 -4.726 14.431 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.193 -4.500 14.439 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.164 -3.438 13.449 1.00 0.00 H new ATOM 233 N LYS A 16 12.795 -3.738 9.124 1.00 0.00 N ATOM 234 CA LYS A 16 13.905 -3.558 8.189 1.00 0.00 C ATOM 235 C LYS A 16 14.226 -2.078 8.057 1.00 0.00 C ATOM 236 O LYS A 16 15.389 -1.683 8.054 1.00 0.00 O ATOM 237 CB LYS A 16 13.594 -4.165 6.807 1.00 0.00 C ATOM 238 CG LYS A 16 14.699 -3.937 5.780 1.00 0.00 C ATOM 239 CD LYS A 16 14.451 -4.710 4.493 1.00 0.00 C ATOM 240 CE LYS A 16 14.608 -6.213 4.698 1.00 0.00 C ATOM 241 NZ LYS A 16 15.975 -6.573 5.161 1.00 0.00 N ATOM 0 H LYS A 16 11.943 -4.109 8.703 1.00 0.00 H new ATOM 0 HA LYS A 16 14.772 -4.086 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.428 -5.236 6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.665 -3.736 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.771 -2.873 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.656 -4.238 6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.447 -4.496 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.148 -4.373 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.876 -6.558 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.394 -6.731 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.147 -7.583 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.677 -6.006 4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.058 -6.382 6.180 1.00 0.00 H new ATOM 255 N ASN A 17 13.182 -1.262 7.963 1.00 0.00 N ATOM 256 CA ASN A 17 13.340 0.193 7.895 1.00 0.00 C ATOM 257 C ASN A 17 13.962 0.708 9.171 1.00 0.00 C ATOM 258 O ASN A 17 14.844 1.565 9.143 1.00 0.00 O ATOM 259 CB ASN A 17 11.995 0.900 7.662 1.00 0.00 C ATOM 260 CG ASN A 17 11.512 0.811 6.229 1.00 0.00 C ATOM 261 OD1 ASN A 17 11.835 -0.129 5.502 1.00 0.00 O ATOM 262 ND2 ASN A 17 10.737 1.790 5.814 1.00 0.00 N ATOM 0 H ASN A 17 12.214 -1.581 7.932 1.00 0.00 H new ATOM 0 HA ASN A 17 13.992 0.413 7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.244 0.462 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.091 1.949 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.381 1.788 4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.493 2.551 6.448 1.00 0.00 H new ATOM 269 N GLU A 18 13.501 0.168 10.294 1.00 0.00 N ATOM 270 CA GLU A 18 14.010 0.547 11.599 1.00 0.00 C ATOM 271 C GLU A 18 15.514 0.268 11.673 1.00 0.00 C ATOM 272 O GLU A 18 16.293 1.108 12.135 1.00 0.00 O ATOM 273 CB GLU A 18 13.275 -0.226 12.697 1.00 0.00 C ATOM 274 CG GLU A 18 13.405 0.388 14.076 1.00 0.00 C ATOM 275 CD GLU A 18 12.670 1.706 14.185 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.477 1.690 14.555 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.280 2.761 13.908 1.00 0.00 O ATOM 0 H GLU A 18 12.768 -0.541 10.321 1.00 0.00 H new ATOM 0 HA GLU A 18 13.840 1.613 11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.218 -0.290 12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.658 -1.246 12.727 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.015 -0.307 14.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.459 0.542 14.306 1.00 0.00 H new ATOM 284 N ARG A 19 15.911 -0.910 11.201 1.00 0.00 N ATOM 285 CA ARG A 19 17.319 -1.286 11.172 1.00 0.00 C ATOM 286 C ARG A 19 18.082 -0.423 10.186 1.00 0.00 C ATOM 287 O ARG A 19 19.146 0.091 10.503 1.00 0.00 O ATOM 288 CB ARG A 19 17.498 -2.766 10.815 1.00 0.00 C ATOM 289 CG ARG A 19 17.026 -3.721 11.891 1.00 0.00 C ATOM 290 CD ARG A 19 17.278 -5.165 11.499 1.00 0.00 C ATOM 291 NE ARG A 19 17.035 -6.079 12.613 1.00 0.00 N ATOM 292 CZ ARG A 19 17.177 -7.405 12.548 1.00 0.00 C ATOM 293 NH1 ARG A 19 17.510 -7.990 11.400 1.00 0.00 N ATOM 294 NH2 ARG A 19 16.977 -8.147 13.632 1.00 0.00 N ATOM 0 H ARG A 19 15.277 -1.620 10.834 1.00 0.00 H new ATOM 0 HA ARG A 19 17.720 -1.126 12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.954 -2.975 9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.552 -2.955 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.541 -3.501 12.826 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.961 -3.572 12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.633 -5.432 10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.307 -5.275 11.156 1.00 0.00 H new ATOM 0 HE ARG A 19 16.736 -5.676 13.501 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.658 -7.425 10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.617 -9.003 11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.715 -7.703 14.512 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.085 -9.160 13.584 1.00 0.00 H new ATOM 308 N HIS A 20 17.525 -0.266 8.990 1.00 0.00 N ATOM 309 CA HIS A 20 18.138 0.549 7.930 1.00 0.00 C ATOM 310 C HIS A 20 18.419 1.970 8.438 1.00 0.00 C ATOM 311 O HIS A 20 19.519 2.495 8.260 1.00 0.00 O ATOM 312 CB HIS A 20 17.205 0.590 6.682 1.00 0.00 C ATOM 313 CG HIS A 20 17.805 1.208 5.450 1.00 0.00 C ATOM 314 ND1 HIS A 20 18.049 0.491 4.300 1.00 0.00 N ATOM 315 CD2 HIS A 20 18.167 2.481 5.176 1.00 0.00 C ATOM 316 CE1 HIS A 20 18.532 1.286 3.376 1.00 0.00 C ATOM 317 NE2 HIS A 20 18.615 2.504 3.878 1.00 0.00 N ATOM 0 H HIS A 20 16.639 -0.695 8.722 1.00 0.00 H new ATOM 0 HA HIS A 20 19.087 0.095 7.644 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.898 -0.429 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.302 1.142 6.942 1.00 0.00 H new ATOM 0 HD2 HIS A 20 18.114 3.322 5.851 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.814 0.994 2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 20 18.956 3.328 3.383 1.00 0.00 H new ATOM 325 N GLU A 21 17.422 2.572 9.071 1.00 0.00 N ATOM 326 CA GLU A 21 17.552 3.927 9.612 1.00 0.00 C ATOM 327 C GLU A 21 18.665 3.996 10.667 1.00 0.00 C ATOM 328 O GLU A 21 19.495 4.908 10.651 1.00 0.00 O ATOM 329 CB GLU A 21 16.219 4.406 10.218 1.00 0.00 C ATOM 330 CG GLU A 21 16.173 5.895 10.491 1.00 0.00 C ATOM 331 CD GLU A 21 16.294 6.708 9.222 1.00 0.00 C ATOM 332 OE1 GLU A 21 15.267 6.930 8.551 1.00 0.00 O ATOM 333 OE2 GLU A 21 17.419 7.130 8.886 1.00 0.00 O ATOM 0 H GLU A 21 16.509 2.145 9.225 1.00 0.00 H new ATOM 0 HA GLU A 21 17.818 4.588 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.407 4.145 9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.040 3.869 11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.237 6.143 10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.981 6.164 11.172 1.00 0.00 H new ATOM 340 N GLU A 22 18.697 3.006 11.557 1.00 0.00 N ATOM 341 CA GLU A 22 19.696 2.961 12.641 1.00 0.00 C ATOM 342 C GLU A 22 21.085 2.620 12.083 1.00 0.00 C ATOM 343 O GLU A 22 22.113 2.897 12.713 1.00 0.00 O ATOM 344 CB GLU A 22 19.277 1.922 13.708 1.00 0.00 C ATOM 345 CG GLU A 22 20.167 1.884 14.943 1.00 0.00 C ATOM 346 CD GLU A 22 20.180 3.193 15.702 1.00 0.00 C ATOM 347 OE1 GLU A 22 19.094 3.662 16.107 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.276 3.750 15.912 1.00 0.00 O ATOM 0 H GLU A 22 18.046 2.221 11.555 1.00 0.00 H new ATOM 0 HA GLU A 22 19.746 3.945 13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.254 2.134 14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.272 0.933 13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.825 1.089 15.606 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.185 1.634 14.643 1.00 0.00 H new ATOM 355 N ALA A 23 21.106 2.052 10.889 1.00 0.00 N ATOM 356 CA ALA A 23 22.356 1.649 10.254 1.00 0.00 C ATOM 357 C ALA A 23 23.040 2.853 9.642 1.00 0.00 C ATOM 358 O ALA A 23 24.243 3.058 9.822 1.00 0.00 O ATOM 359 CB ALA A 23 22.123 0.562 9.202 1.00 0.00 C ATOM 0 H ALA A 23 20.271 1.858 10.336 1.00 0.00 H new ATOM 0 HA ALA A 23 23.007 1.227 11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.075 0.285 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.678 -0.313 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.450 0.939 8.432 1.00 0.00 H new ATOM 365 N GLU A 24 22.270 3.663 8.933 1.00 0.00 N ATOM 366 CA GLU A 24 22.804 4.862 8.321 1.00 0.00 C ATOM 367 C GLU A 24 23.175 5.875 9.387 1.00 0.00 C ATOM 368 O GLU A 24 24.199 6.546 9.286 1.00 0.00 O ATOM 369 CB GLU A 24 21.811 5.461 7.336 1.00 0.00 C ATOM 370 CG GLU A 24 21.424 4.513 6.218 1.00 0.00 C ATOM 371 CD GLU A 24 20.683 5.207 5.110 1.00 0.00 C ATOM 372 OE1 GLU A 24 19.471 5.453 5.264 1.00 0.00 O ATOM 373 OE2 GLU A 24 21.310 5.516 4.075 1.00 0.00 O ATOM 0 H GLU A 24 21.275 3.510 8.769 1.00 0.00 H new ATOM 0 HA GLU A 24 23.703 4.591 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.912 5.761 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 24 22.240 6.365 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.322 4.046 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.803 3.713 6.622 1.00 0.00 H new ATOM 380 N LEU A 25 22.335 5.974 10.415 1.00 0.00 N ATOM 381 CA LEU A 25 22.599 6.857 11.546 1.00 0.00 C ATOM 382 C LEU A 25 23.956 6.531 12.177 1.00 0.00 C ATOM 383 O LEU A 25 24.692 7.426 12.595 1.00 0.00 O ATOM 384 CB LEU A 25 21.485 6.731 12.590 1.00 0.00 C ATOM 385 CG LEU A 25 21.610 7.644 13.812 1.00 0.00 C ATOM 386 CD1 LEU A 25 21.577 9.109 13.402 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.505 7.344 14.811 1.00 0.00 C ATOM 0 H LEU A 25 21.462 5.451 10.487 1.00 0.00 H new ATOM 0 HA LEU A 25 22.624 7.884 11.183 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.532 6.936 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.451 5.697 12.934 1.00 0.00 H new ATOM 0 HG LEU A 25 22.571 7.449 14.287 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.667 9.737 14.288 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.405 9.316 12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.634 9.325 12.899 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.607 8.001 15.675 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.535 7.510 14.342 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.579 6.306 15.134 1.00 0.00 H new ATOM 399 N GLU A 26 24.284 5.245 12.224 1.00 0.00 N ATOM 400 CA GLU A 26 25.556 4.792 12.768 1.00 0.00 C ATOM 401 C GLU A 26 26.717 5.312 11.917 1.00 0.00 C ATOM 402 O GLU A 26 27.721 5.797 12.445 1.00 0.00 O ATOM 403 CB GLU A 26 25.568 3.259 12.849 1.00 0.00 C ATOM 404 CG GLU A 26 26.848 2.657 13.410 1.00 0.00 C ATOM 405 CD GLU A 26 27.718 2.032 12.340 1.00 0.00 C ATOM 406 OE1 GLU A 26 27.281 1.028 11.728 1.00 0.00 O ATOM 407 OE2 GLU A 26 28.851 2.517 12.122 1.00 0.00 O ATOM 0 H GLU A 26 23.681 4.494 11.889 1.00 0.00 H new ATOM 0 HA GLU A 26 25.679 5.191 13.775 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.730 2.936 13.467 1.00 0.00 H new ATOM 0 HB3 GLU A 26 25.401 2.856 11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.414 3.433 13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.594 1.901 14.153 1.00 0.00 H new ATOM 414 N ARG A 27 26.555 5.235 10.602 1.00 0.00 N ATOM 415 CA ARG A 27 27.575 5.718 9.678 1.00 0.00 C ATOM 416 C ARG A 27 27.673 7.241 9.741 1.00 0.00 C ATOM 417 O ARG A 27 28.757 7.811 9.622 1.00 0.00 O ATOM 418 CB ARG A 27 27.267 5.272 8.247 1.00 0.00 C ATOM 419 CG ARG A 27 27.180 3.761 8.068 1.00 0.00 C ATOM 420 CD ARG A 27 28.460 3.068 8.513 1.00 0.00 C ATOM 421 NE ARG A 27 28.454 1.643 8.175 1.00 0.00 N ATOM 422 CZ ARG A 27 29.155 0.704 8.823 1.00 0.00 C ATOM 423 NH1 ARG A 27 29.879 1.021 9.890 1.00 0.00 N ATOM 424 NH2 ARG A 27 29.109 -0.557 8.413 1.00 0.00 N ATOM 0 H ARG A 27 25.728 4.843 10.151 1.00 0.00 H new ATOM 0 HA ARG A 27 28.532 5.290 9.976 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.323 5.718 7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 27 28.039 5.661 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 27 26.338 3.374 8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 27 26.985 3.529 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 27 29.317 3.550 8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 27 28.581 3.185 9.590 1.00 0.00 H new ATOM 0 HE ARG A 27 27.875 1.345 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 27 29.904 1.985 10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 27 30.410 0.300 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 27 28.540 -0.810 7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 27 29.643 -1.273 8.906 1.00 0.00 H new ATOM 438 N LEU A 28 26.527 7.885 9.941 1.00 0.00 N ATOM 439 CA LEU A 28 26.465 9.346 10.053 1.00 0.00 C ATOM 440 C LEU A 28 27.301 9.815 11.240 1.00 0.00 C ATOM 441 O LEU A 28 28.062 10.784 11.141 1.00 0.00 O ATOM 442 CB LEU A 28 25.005 9.825 10.208 1.00 0.00 C ATOM 443 CG LEU A 28 24.804 11.337 10.293 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.230 12.012 8.999 1.00 0.00 C ATOM 445 CD2 LEU A 28 23.354 11.662 10.614 1.00 0.00 C ATOM 0 H LEU A 28 25.624 7.420 10.030 1.00 0.00 H new ATOM 0 HA LEU A 28 26.870 9.778 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.428 9.448 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.588 9.371 11.107 1.00 0.00 H new ATOM 0 HG LEU A 28 25.431 11.721 11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.078 13.088 9.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.284 11.808 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 24.634 11.625 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.227 12.743 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.710 11.262 9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.084 11.214 11.570 1.00 0.00 H new ATOM 457 N LYS A 29 27.151 9.120 12.360 1.00 0.00 N ATOM 458 CA LYS A 29 27.935 9.414 13.552 1.00 0.00 C ATOM 459 C LYS A 29 29.409 9.128 13.293 1.00 0.00 C ATOM 460 O LYS A 29 30.282 9.926 13.654 1.00 0.00 O ATOM 461 CB LYS A 29 27.427 8.600 14.746 1.00 0.00 C ATOM 462 CG LYS A 29 26.001 8.940 15.145 1.00 0.00 C ATOM 463 CD LYS A 29 25.494 8.037 16.252 1.00 0.00 C ATOM 464 CE LYS A 29 24.093 8.438 16.684 1.00 0.00 C ATOM 465 NZ LYS A 29 23.532 7.514 17.699 1.00 0.00 N ATOM 0 H LYS A 29 26.493 8.348 12.468 1.00 0.00 H new ATOM 0 HA LYS A 29 27.823 10.471 13.792 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.486 7.539 14.504 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.085 8.769 15.598 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.953 9.978 15.473 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.349 8.850 14.276 1.00 0.00 H new ATOM 0 HD2 LYS A 29 25.490 7.002 15.909 1.00 0.00 H new ATOM 0 HD3 LYS A 29 26.170 8.088 17.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 24.116 9.450 17.090 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.438 8.458 15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.576 7.827 17.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.485 6.553 17.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.141 7.513 18.542 1.00 0.00 H new ATOM 479 N SER A 30 29.682 7.957 12.713 1.00 0.00 N ATOM 480 CA SER A 30 31.040 7.573 12.294 1.00 0.00 C ATOM 481 C SER A 30 31.762 8.721 11.579 1.00 0.00 C ATOM 482 O SER A 30 32.889 9.043 11.926 1.00 0.00 O ATOM 483 CB SER A 30 30.995 6.328 11.383 1.00 0.00 C ATOM 484 OG SER A 30 32.296 5.911 10.987 1.00 0.00 O ATOM 0 H SER A 30 28.974 7.248 12.519 1.00 0.00 H new ATOM 0 HA SER A 30 31.602 7.336 13.197 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.497 5.513 11.907 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.399 6.548 10.497 1.00 0.00 H new ATOM 0 HG SER A 30 32.931 6.645 11.125 1.00 0.00 H new ATOM 490 N GLU A 31 31.098 9.339 10.601 1.00 0.00 N ATOM 491 CA GLU A 31 31.692 10.447 9.837 1.00 0.00 C ATOM 492 C GLU A 31 32.235 11.545 10.755 1.00 0.00 C ATOM 493 O GLU A 31 33.362 12.008 10.581 1.00 0.00 O ATOM 494 CB GLU A 31 30.673 11.034 8.860 1.00 0.00 C ATOM 495 CG GLU A 31 30.286 10.088 7.737 1.00 0.00 C ATOM 496 CD GLU A 31 31.480 9.658 6.912 1.00 0.00 C ATOM 497 OE1 GLU A 31 32.026 10.500 6.162 1.00 0.00 O ATOM 498 OE2 GLU A 31 31.879 8.478 7.000 1.00 0.00 O ATOM 0 H GLU A 31 30.150 9.094 10.316 1.00 0.00 H new ATOM 0 HA GLU A 31 32.531 10.039 9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.776 11.316 9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 31 31.082 11.948 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 31 29.801 9.207 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 29.556 10.575 7.090 1.00 0.00 H new ATOM 505 N ARG A 32 31.432 11.949 11.733 1.00 0.00 N ATOM 506 CA ARG A 32 31.836 12.979 12.693 1.00 0.00 C ATOM 507 C ARG A 32 33.059 12.521 13.503 1.00 0.00 C ATOM 508 O ARG A 32 33.932 13.320 13.834 1.00 0.00 O ATOM 509 CB ARG A 32 30.666 13.316 13.630 1.00 0.00 C ATOM 510 CG ARG A 32 30.961 14.410 14.656 1.00 0.00 C ATOM 511 CD ARG A 32 31.265 15.748 13.991 1.00 0.00 C ATOM 512 NE ARG A 32 31.426 16.828 14.975 1.00 0.00 N ATOM 513 CZ ARG A 32 31.790 18.081 14.671 1.00 0.00 C ATOM 514 NH1 ARG A 32 32.077 18.408 13.417 1.00 0.00 N ATOM 515 NH2 ARG A 32 31.870 19.002 15.627 1.00 0.00 N ATOM 0 H ARG A 32 30.493 11.580 11.885 1.00 0.00 H new ATOM 0 HA ARG A 32 32.113 13.877 12.140 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.813 13.624 13.026 1.00 0.00 H new ATOM 0 HB3 ARG A 32 30.371 12.410 14.160 1.00 0.00 H new ATOM 0 HG2 ARG A 32 30.106 14.522 15.323 1.00 0.00 H new ATOM 0 HG3 ARG A 32 31.809 14.110 15.272 1.00 0.00 H new ATOM 0 HD2 ARG A 32 32.175 15.659 13.398 1.00 0.00 H new ATOM 0 HD3 ARG A 32 30.459 16.002 13.302 1.00 0.00 H new ATOM 0 HE ARG A 32 31.249 16.609 15.955 1.00 0.00 H new ATOM 0 HH11 ARG A 32 32.021 17.704 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 32 32.354 19.363 13.190 1.00 0.00 H new ATOM 0 HH21 ARG A 32 31.654 18.755 16.593 1.00 0.00 H new ATOM 0 HH22 ARG A 32 32.147 19.956 15.394 1.00 0.00 H new ATOM 529 N HIS A 33 33.122 11.228 13.792 1.00 0.00 N ATOM 530 CA HIS A 33 34.233 10.662 14.556 1.00 0.00 C ATOM 531 C HIS A 33 35.486 10.559 13.699 1.00 0.00 C ATOM 532 O HIS A 33 36.581 10.896 14.141 1.00 0.00 O ATOM 533 CB HIS A 33 33.866 9.285 15.111 1.00 0.00 C ATOM 534 CG HIS A 33 32.905 9.327 16.259 1.00 0.00 C ATOM 535 ND1 HIS A 33 31.535 9.377 16.100 1.00 0.00 N ATOM 536 CD2 HIS A 33 33.124 9.320 17.594 1.00 0.00 C ATOM 537 CE1 HIS A 33 30.957 9.396 17.283 1.00 0.00 C ATOM 538 NE2 HIS A 33 31.897 9.364 18.208 1.00 0.00 N ATOM 0 H HIS A 33 32.417 10.548 13.510 1.00 0.00 H new ATOM 0 HA HIS A 33 34.436 11.333 15.391 1.00 0.00 H new ATOM 0 HB2 HIS A 33 33.433 8.685 14.310 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.777 8.779 15.431 1.00 0.00 H new ATOM 0 HD1 HIS A 33 31.046 9.396 15.205 1.00 0.00 H new ATOM 0 HD2 HIS A 33 34.085 9.286 18.085 1.00 0.00 H new ATOM 0 HE1 HIS A 33 29.893 9.432 17.465 1.00 0.00 H new ATOM 546 N ASP A 34 35.309 10.111 12.461 1.00 0.00 N ATOM 547 CA ASP A 34 36.422 9.968 11.506 1.00 0.00 C ATOM 548 C ASP A 34 37.006 11.321 11.122 1.00 0.00 C ATOM 549 O ASP A 34 38.057 11.397 10.481 1.00 0.00 O ATOM 550 CB ASP A 34 35.998 9.188 10.251 1.00 0.00 C ATOM 551 CG ASP A 34 35.809 7.707 10.521 1.00 0.00 C ATOM 552 OD1 ASP A 34 36.823 7.007 10.739 1.00 0.00 O ATOM 553 OD2 ASP A 34 34.655 7.229 10.508 1.00 0.00 O ATOM 0 H ASP A 34 34.401 9.837 12.085 1.00 0.00 H new ATOM 0 HA ASP A 34 37.199 9.394 12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 34 35.068 9.605 9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 34 36.752 9.319 9.474 1.00 0.00 H new ATOM 558 N HIS A 35 36.329 12.380 11.535 1.00 0.00 N ATOM 559 CA HIS A 35 36.770 13.741 11.247 1.00 0.00 C ATOM 560 C HIS A 35 37.672 14.220 12.383 1.00 0.00 C ATOM 561 O HIS A 35 38.372 15.217 12.269 1.00 0.00 O ATOM 562 CB HIS A 35 35.562 14.685 11.076 1.00 0.00 C ATOM 563 CG HIS A 35 35.915 16.048 10.546 1.00 0.00 C ATOM 564 ND1 HIS A 35 36.237 16.280 9.224 1.00 0.00 N ATOM 565 CD2 HIS A 35 35.987 17.252 11.162 1.00 0.00 C ATOM 566 CE1 HIS A 35 36.491 17.566 9.053 1.00 0.00 C ATOM 567 NE2 HIS A 35 36.345 18.180 10.212 1.00 0.00 N ATOM 0 H HIS A 35 35.465 12.325 12.075 1.00 0.00 H new ATOM 0 HA HIS A 35 37.328 13.749 10.311 1.00 0.00 H new ATOM 0 HB2 HIS A 35 34.844 14.220 10.401 1.00 0.00 H new ATOM 0 HB3 HIS A 35 35.065 14.800 12.039 1.00 0.00 H new ATOM 0 HD2 HIS A 35 35.798 17.448 12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 35 36.771 18.035 8.121 1.00 0.00 H new ATOM 0 HE2 HIS A 35 36.476 19.178 10.376 1.00 0.00 H new ATOM 575 N ASP A 36 37.639 13.483 13.476 1.00 0.00 N ATOM 576 CA ASP A 36 38.462 13.778 14.652 1.00 0.00 C ATOM 577 C ASP A 36 39.711 12.908 14.653 1.00 0.00 C ATOM 578 O ASP A 36 40.739 13.262 15.247 1.00 0.00 O ATOM 579 CB ASP A 36 37.656 13.546 15.943 1.00 0.00 C ATOM 580 CG ASP A 36 38.505 13.627 17.202 1.00 0.00 C ATOM 581 OD1 ASP A 36 38.669 14.731 17.748 1.00 0.00 O ATOM 582 OD2 ASP A 36 39.002 12.579 17.654 1.00 0.00 O ATOM 0 H ASP A 36 37.044 12.661 13.582 1.00 0.00 H new ATOM 0 HA ASP A 36 38.762 14.825 14.610 1.00 0.00 H new ATOM 0 HB2 ASP A 36 36.857 14.285 16.003 1.00 0.00 H new ATOM 0 HB3 ASP A 36 37.180 12.566 15.896 1.00 0.00 H new ATOM 587 N LYS A 37 39.621 11.783 13.952 1.00 0.00 N ATOM 588 CA LYS A 37 40.698 10.814 13.891 1.00 0.00 C ATOM 589 C LYS A 37 41.783 11.298 12.951 1.00 0.00 C ATOM 590 O LYS A 37 42.939 10.880 13.044 1.00 0.00 O ATOM 591 CB LYS A 37 40.170 9.455 13.416 1.00 0.00 C ATOM 592 CG LYS A 37 38.965 8.930 14.190 1.00 0.00 C ATOM 593 CD LYS A 37 39.266 8.751 15.668 1.00 0.00 C ATOM 594 CE LYS A 37 38.053 8.219 16.421 1.00 0.00 C ATOM 595 NZ LYS A 37 37.658 6.859 15.966 1.00 0.00 N ATOM 0 H LYS A 37 38.797 11.521 13.411 1.00 0.00 H new ATOM 0 HA LYS A 37 41.116 10.700 14.891 1.00 0.00 H new ATOM 0 HB2 LYS A 37 39.901 9.534 12.363 1.00 0.00 H new ATOM 0 HB3 LYS A 37 40.975 8.724 13.486 1.00 0.00 H new ATOM 0 HG2 LYS A 37 38.130 9.621 14.072 1.00 0.00 H new ATOM 0 HG3 LYS A 37 38.651 7.976 13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 37 40.103 8.063 15.790 1.00 0.00 H new ATOM 0 HD3 LYS A 37 39.573 9.705 16.097 1.00 0.00 H new ATOM 0 HE2 LYS A 37 38.273 8.193 17.488 1.00 0.00 H new ATOM 0 HE3 LYS A 37 37.215 8.903 16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 36.968 6.457 16.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 37.231 6.920 15.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 38.499 6.248 15.927 1.00 0.00 H new ATOM 609 N LYS A 38 41.405 12.185 12.037 1.00 0.00 N ATOM 610 CA LYS A 38 42.349 12.749 11.095 1.00 0.00 C ATOM 611 C LYS A 38 43.161 13.853 11.759 1.00 0.00 C ATOM 612 O LYS A 38 42.978 15.036 11.480 1.00 0.00 O ATOM 613 CB LYS A 38 41.641 13.283 9.845 1.00 0.00 C ATOM 614 CG LYS A 38 40.843 12.241 9.080 1.00 0.00 C ATOM 615 CD LYS A 38 41.725 11.095 8.614 1.00 0.00 C ATOM 616 CE LYS A 38 40.966 10.145 7.703 1.00 0.00 C ATOM 617 NZ LYS A 38 39.736 9.622 8.344 1.00 0.00 N ATOM 0 H LYS A 38 40.449 12.526 11.933 1.00 0.00 H new ATOM 0 HA LYS A 38 43.024 11.954 10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 38 40.971 14.091 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 38 42.386 13.714 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.046 11.853 9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.365 12.707 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 38 42.592 11.493 8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 38 42.101 10.549 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.702 10.662 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.613 9.312 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 39.332 8.867 7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 39.969 9.241 9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 39.043 10.391 8.445 1.00 0.00 H new ATOM 631 N GLU A 39 43.999 13.455 12.681 1.00 0.00 N ATOM 632 CA GLU A 39 44.877 14.386 13.385 1.00 0.00 C ATOM 633 C GLU A 39 46.238 14.498 12.682 1.00 0.00 C ATOM 634 O GLU A 39 46.474 13.829 11.669 1.00 0.00 O ATOM 635 CB GLU A 39 45.070 13.954 14.852 1.00 0.00 C ATOM 636 CG GLU A 39 45.926 12.700 15.044 1.00 0.00 C ATOM 637 CD GLU A 39 46.078 12.327 16.496 1.00 0.00 C ATOM 638 OE1 GLU A 39 45.226 11.576 17.012 1.00 0.00 O ATOM 639 OE2 GLU A 39 47.046 12.779 17.132 1.00 0.00 O ATOM 0 H GLU A 39 44.101 12.483 12.972 1.00 0.00 H new ATOM 0 HA GLU A 39 44.401 15.366 13.371 1.00 0.00 H new ATOM 0 HB2 GLU A 39 45.528 14.777 15.401 1.00 0.00 H new ATOM 0 HB3 GLU A 39 44.090 13.780 15.297 1.00 0.00 H new ATOM 0 HG2 GLU A 39 45.474 11.868 14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 39 46.912 12.866 14.609 1.00 0.00 H new ATOM 646 N ALA A 40 47.121 15.351 13.232 1.00 0.00 N ATOM 647 CA ALA A 40 48.480 15.557 12.702 1.00 0.00 C ATOM 648 C ALA A 40 48.458 16.119 11.254 1.00 0.00 C ATOM 649 O ALA A 40 48.467 15.339 10.299 1.00 0.00 O ATOM 650 CB ALA A 40 49.264 14.244 12.737 1.00 0.00 C ATOM 0 H ALA A 40 46.912 15.916 14.055 1.00 0.00 H new ATOM 0 HA ALA A 40 48.971 16.294 13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 40 50.267 14.408 12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 40 49.332 13.888 13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 40 48.753 13.499 12.128 1.00 0.00 H new ATOM 656 N GLU A 41 48.409 17.474 11.088 1.00 0.00 N ATOM 657 CA GLU A 41 48.385 18.103 9.760 1.00 0.00 C ATOM 658 C GLU A 41 47.110 17.744 9.031 1.00 0.00 C ATOM 659 O GLU A 41 47.085 16.831 8.196 1.00 0.00 O ATOM 660 CB GLU A 41 49.612 17.721 8.916 1.00 0.00 C ATOM 661 CG GLU A 41 50.936 18.161 9.507 1.00 0.00 C ATOM 662 CD GLU A 41 50.999 19.649 9.747 1.00 0.00 C ATOM 663 OE1 GLU A 41 51.293 20.406 8.797 1.00 0.00 O ATOM 664 OE2 GLU A 41 50.759 20.075 10.888 1.00 0.00 O ATOM 0 H GLU A 41 48.386 18.137 11.863 1.00 0.00 H new ATOM 0 HA GLU A 41 48.419 19.182 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 41 49.627 16.639 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 41 49.507 18.159 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 41 51.101 17.638 10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 41 51.744 17.871 8.835 1.00 0.00 H new ATOM 671 N ARG A 42 46.051 18.448 9.366 1.00 0.00 N ATOM 672 CA ARG A 42 44.774 18.206 8.823 1.00 0.00 C ATOM 673 C ARG A 42 43.866 19.319 9.265 1.00 0.00 C ATOM 674 O ARG A 42 43.793 19.639 10.450 1.00 0.00 O ATOM 675 CB ARG A 42 44.232 16.873 9.326 1.00 0.00 C ATOM 676 CG ARG A 42 43.059 16.338 8.534 1.00 0.00 C ATOM 677 CD ARG A 42 43.494 15.837 7.170 1.00 0.00 C ATOM 678 NE ARG A 42 42.454 15.041 6.524 1.00 0.00 N ATOM 679 CZ ARG A 42 42.678 13.886 5.892 1.00 0.00 C ATOM 680 NH1 ARG A 42 43.916 13.408 5.782 1.00 0.00 N ATOM 681 NH2 ARG A 42 41.667 13.214 5.363 1.00 0.00 N ATOM 0 H ARG A 42 46.076 19.215 10.038 1.00 0.00 H new ATOM 0 HA ARG A 42 44.831 18.165 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 42 45.035 16.137 9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 42 43.931 16.987 10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 42 42.585 15.527 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 42 42.311 17.122 8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 42 43.748 16.686 6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 42 44.398 15.237 7.275 1.00 0.00 H new ATOM 0 HE ARG A 42 41.496 15.389 6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 42 44.700 13.925 6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 42 44.081 12.525 5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 42 40.717 13.579 5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 42 41.838 12.332 4.880 1.00 0.00 H new ATOM 695 N LYS A 43 43.210 19.911 8.324 1.00 0.00 N ATOM 696 CA LYS A 43 42.227 20.980 8.590 1.00 0.00 C ATOM 697 C LYS A 43 41.125 20.482 9.545 1.00 0.00 C ATOM 698 O LYS A 43 40.444 21.275 10.198 1.00 0.00 O ATOM 699 CB LYS A 43 41.602 21.496 7.279 1.00 0.00 C ATOM 700 CG LYS A 43 40.787 22.768 7.448 1.00 0.00 C ATOM 701 CD LYS A 43 40.111 23.172 6.149 1.00 0.00 C ATOM 702 CE LYS A 43 39.362 24.487 6.300 1.00 0.00 C ATOM 703 NZ LYS A 43 40.278 25.615 6.599 1.00 0.00 N ATOM 0 H LYS A 43 43.320 19.687 7.335 1.00 0.00 H new ATOM 0 HA LYS A 43 42.755 21.806 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 42.397 21.678 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 40.962 20.718 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 43 40.033 22.618 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 43 41.436 23.575 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 43 40.859 23.266 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.418 22.390 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.813 24.699 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.626 24.396 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 39.776 26.516 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 40.603 25.547 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.098 25.575 5.961 1.00 0.00 H new ATOM 717 N ALA A 44 40.951 19.163 9.599 1.00 0.00 N ATOM 718 CA ALA A 44 39.995 18.528 10.517 1.00 0.00 C ATOM 719 C ALA A 44 40.240 18.968 11.965 1.00 0.00 C ATOM 720 O ALA A 44 39.299 19.063 12.759 1.00 0.00 O ATOM 721 CB ALA A 44 40.063 17.009 10.406 1.00 0.00 C ATOM 0 H ALA A 44 41.463 18.504 9.013 1.00 0.00 H new ATOM 0 HA ALA A 44 38.995 18.852 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 44 39.347 16.561 11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 44 39.823 16.708 9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 44 41.068 16.670 10.657 1.00 0.00 H new ATOM 727 N LEU A 45 41.513 19.239 12.299 1.00 0.00 N ATOM 728 CA LEU A 45 41.920 19.723 13.636 1.00 0.00 C ATOM 729 C LEU A 45 41.200 21.016 14.032 1.00 0.00 C ATOM 730 O LEU A 45 41.205 21.408 15.199 1.00 0.00 O ATOM 731 CB LEU A 45 43.434 19.947 13.685 1.00 0.00 C ATOM 732 CG LEU A 45 44.301 18.697 13.505 1.00 0.00 C ATOM 733 CD1 LEU A 45 45.772 19.071 13.450 1.00 0.00 C ATOM 734 CD2 LEU A 45 44.046 17.709 14.630 1.00 0.00 C ATOM 0 H LEU A 45 42.293 19.130 11.651 1.00 0.00 H new ATOM 0 HA LEU A 45 41.636 18.951 14.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 43.701 20.665 12.910 1.00 0.00 H new ATOM 0 HB3 LEU A 45 43.683 20.404 14.643 1.00 0.00 H new ATOM 0 HG LEU A 45 44.031 18.224 12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 46.372 18.170 13.322 1.00 0.00 H new ATOM 0 HD12 LEU A 45 45.945 19.745 12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 45 46.056 19.567 14.378 1.00 0.00 H new ATOM 0 HD21 LEU A 45 44.670 16.826 14.487 1.00 0.00 H new ATOM 0 HD22 LEU A 45 44.289 18.175 15.585 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.996 17.416 14.626 1.00 0.00 H new ATOM 746 N GLU A 46 40.587 21.666 13.061 1.00 0.00 N ATOM 747 CA GLU A 46 39.898 22.924 13.306 1.00 0.00 C ATOM 748 C GLU A 46 38.556 22.640 13.981 1.00 0.00 C ATOM 749 O GLU A 46 38.096 23.402 14.834 1.00 0.00 O ATOM 750 CB GLU A 46 39.669 23.685 11.987 1.00 0.00 C ATOM 751 CG GLU A 46 39.263 25.136 12.167 1.00 0.00 C ATOM 752 CD GLU A 46 40.401 25.993 12.670 1.00 0.00 C ATOM 753 OE1 GLU A 46 41.287 26.335 11.861 1.00 0.00 O ATOM 754 OE2 GLU A 46 40.411 26.343 13.868 1.00 0.00 O ATOM 0 H GLU A 46 40.551 21.345 12.093 1.00 0.00 H new ATOM 0 HA GLU A 46 40.515 23.544 13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 40.583 23.646 11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 46 38.897 23.172 11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 46 38.906 25.532 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 46 38.431 25.193 12.868 1.00 0.00 H new ATOM 761 N ASP A 47 37.937 21.523 13.592 1.00 0.00 N ATOM 762 CA ASP A 47 36.635 21.136 14.137 1.00 0.00 C ATOM 763 C ASP A 47 36.798 20.145 15.278 1.00 0.00 C ATOM 764 O ASP A 47 36.215 20.308 16.347 1.00 0.00 O ATOM 765 CB ASP A 47 35.746 20.507 13.054 1.00 0.00 C ATOM 766 CG ASP A 47 35.366 21.475 11.961 1.00 0.00 C ATOM 767 OD1 ASP A 47 34.490 22.333 12.195 1.00 0.00 O ATOM 768 OD2 ASP A 47 35.926 21.371 10.853 1.00 0.00 O ATOM 0 H ASP A 47 38.316 20.873 12.904 1.00 0.00 H new ATOM 0 HA ASP A 47 36.159 22.043 14.509 1.00 0.00 H new ATOM 0 HB2 ASP A 47 36.268 19.658 12.613 1.00 0.00 H new ATOM 0 HB3 ASP A 47 34.839 20.118 13.518 1.00 0.00 H new ATOM 773 N LYS A 48 37.636 19.128 15.035 1.00 0.00 N ATOM 774 CA LYS A 48 37.862 18.031 15.985 1.00 0.00 C ATOM 775 C LYS A 48 36.499 17.386 16.390 1.00 0.00 C ATOM 776 O LYS A 48 35.497 17.569 15.693 1.00 0.00 O ATOM 777 CB LYS A 48 38.632 18.551 17.213 1.00 0.00 C ATOM 778 CG LYS A 48 39.657 17.568 17.770 1.00 0.00 C ATOM 779 CD LYS A 48 40.766 17.280 16.757 1.00 0.00 C ATOM 780 CE LYS A 48 41.823 16.338 17.324 1.00 0.00 C ATOM 781 NZ LYS A 48 41.298 14.966 17.554 1.00 0.00 N ATOM 0 H LYS A 48 38.176 19.043 14.174 1.00 0.00 H new ATOM 0 HA LYS A 48 38.468 17.258 15.513 1.00 0.00 H new ATOM 0 HB2 LYS A 48 39.141 19.476 16.944 1.00 0.00 H new ATOM 0 HB3 LYS A 48 37.917 18.798 17.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 40.093 17.974 18.683 1.00 0.00 H new ATOM 0 HG3 LYS A 48 39.160 16.637 18.041 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.332 16.840 15.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.237 18.216 16.458 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.668 16.290 16.637 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.199 16.742 18.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.988 14.418 18.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.401 15.021 18.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.138 14.498 16.639 1.00 0.00 H new ATOM 795 N LEU A 49 36.462 16.619 17.483 1.00 0.00 N ATOM 796 CA LEU A 49 35.198 16.013 17.934 1.00 0.00 C ATOM 797 C LEU A 49 34.560 16.856 19.046 1.00 0.00 C ATOM 798 O LEU A 49 33.673 16.395 19.766 1.00 0.00 O ATOM 799 CB LEU A 49 35.427 14.569 18.436 1.00 0.00 C ATOM 800 CG LEU A 49 34.164 13.738 18.695 1.00 0.00 C ATOM 801 CD1 LEU A 49 33.378 13.532 17.410 1.00 0.00 C ATOM 802 CD2 LEU A 49 34.519 12.404 19.324 1.00 0.00 C ATOM 0 H LEU A 49 37.272 16.404 18.064 1.00 0.00 H new ATOM 0 HA LEU A 49 34.520 15.982 17.081 1.00 0.00 H new ATOM 0 HB2 LEU A 49 36.039 14.044 17.703 1.00 0.00 H new ATOM 0 HB3 LEU A 49 36.004 14.614 19.360 1.00 0.00 H new ATOM 0 HG LEU A 49 33.534 14.289 19.393 1.00 0.00 H new ATOM 0 HD11 LEU A 49 32.487 12.940 17.619 1.00 0.00 H new ATOM 0 HD12 LEU A 49 33.084 14.500 17.004 1.00 0.00 H new ATOM 0 HD13 LEU A 49 33.999 13.008 16.684 1.00 0.00 H new ATOM 0 HD21 LEU A 49 33.609 11.831 19.499 1.00 0.00 H new ATOM 0 HD22 LEU A 49 35.174 11.848 18.653 1.00 0.00 H new ATOM 0 HD23 LEU A 49 35.029 12.573 20.272 1.00 0.00 H new ATOM 814 N ALA A 50 34.991 18.095 19.164 1.00 0.00 N ATOM 815 CA ALA A 50 34.484 18.965 20.213 1.00 0.00 C ATOM 816 C ALA A 50 34.059 20.318 19.666 1.00 0.00 C ATOM 817 O ALA A 50 32.984 20.818 20.009 1.00 0.00 O ATOM 818 CB ALA A 50 35.530 19.139 21.304 1.00 0.00 C ATOM 0 H ALA A 50 35.686 18.523 18.553 1.00 0.00 H new ATOM 0 HA ALA A 50 33.600 18.490 20.639 1.00 0.00 H new ATOM 0 HB1 ALA A 50 35.138 19.793 22.083 1.00 0.00 H new ATOM 0 HB2 ALA A 50 35.773 18.167 21.734 1.00 0.00 H new ATOM 0 HB3 ALA A 50 36.430 19.582 20.878 1.00 0.00 H new ATOM 824 N ASP A 51 34.905 20.891 18.798 1.00 0.00 N ATOM 825 CA ASP A 51 34.684 22.227 18.215 1.00 0.00 C ATOM 826 C ASP A 51 34.845 23.302 19.283 1.00 0.00 C ATOM 827 O ASP A 51 34.163 23.285 20.314 1.00 0.00 O ATOM 828 CB ASP A 51 33.307 22.327 17.536 1.00 0.00 C ATOM 829 CG ASP A 51 33.088 23.652 16.830 1.00 0.00 C ATOM 830 OD1 ASP A 51 33.441 23.761 15.637 1.00 0.00 O ATOM 831 OD2 ASP A 51 32.548 24.589 17.457 1.00 0.00 O ATOM 0 H ASP A 51 35.764 20.443 18.478 1.00 0.00 H new ATOM 0 HA ASP A 51 35.437 22.387 17.444 1.00 0.00 H new ATOM 0 HB2 ASP A 51 33.204 21.516 16.815 1.00 0.00 H new ATOM 0 HB3 ASP A 51 32.528 22.188 18.285 1.00 0.00 H new ATOM 836 N TYR A 52 35.729 24.244 19.044 1.00 0.00 N ATOM 837 CA TYR A 52 36.016 25.254 20.034 1.00 0.00 C ATOM 838 C TYR A 52 36.041 26.627 19.384 1.00 0.00 C ATOM 839 O TYR A 52 34.951 27.180 19.149 1.00 0.00 O ATOM 840 CB TYR A 52 37.348 24.951 20.734 1.00 0.00 C ATOM 841 CG TYR A 52 37.565 25.740 22.006 1.00 0.00 C ATOM 842 CD1 TYR A 52 36.851 25.442 23.157 1.00 0.00 C ATOM 843 CD2 TYR A 52 38.481 26.781 22.054 1.00 0.00 C ATOM 844 CE1 TYR A 52 37.041 26.157 24.320 1.00 0.00 C ATOM 845 CE2 TYR A 52 38.680 27.503 23.214 1.00 0.00 C ATOM 846 CZ TYR A 52 37.957 27.187 24.344 1.00 0.00 C ATOM 847 OH TYR A 52 38.147 27.909 25.505 1.00 0.00 O ATOM 848 OXT TYR A 52 37.137 27.138 19.096 1.00 0.00 O ATOM 0 H TYR A 52 36.259 24.331 18.177 1.00 0.00 H new ATOM 0 HA TYR A 52 35.230 25.247 20.789 1.00 0.00 H new ATOM 0 HB2 TYR A 52 37.391 23.887 20.966 1.00 0.00 H new ATOM 0 HB3 TYR A 52 38.166 25.160 20.044 1.00 0.00 H new ATOM 0 HD1 TYR A 52 36.133 24.635 23.142 1.00 0.00 H new ATOM 0 HD2 TYR A 52 39.048 27.031 21.169 1.00 0.00 H new ATOM 0 HE1 TYR A 52 36.476 25.912 25.207 1.00 0.00 H new ATOM 0 HE2 TYR A 52 39.397 28.310 23.236 1.00 0.00 H new ATOM 0 HH TYR A 52 38.827 28.598 25.354 1.00 0.00 H new TER 858 TYR A 52