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+ 144:sc= -0.146 (180deg=-0.657) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.726 K(o=-0.73,f=-2.7!) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0438 (180deg=-0.258) USER MOD Single : A 17 ASN : amide:sc= 2 K(o=2,f=-0.15) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.18 (180deg=1.12) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc=-0.000374 X(o=-0.00037,f=-0.00037) USER MOD Single : A 35 HIS : no HD1:sc= -0.764 K(o=-0.76,f=-3.8) USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 0.848 (180deg=0.198) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.05) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 1.23 (180deg=0.985) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.846 (180deg=0.842) USER MOD Single : A 52 TYR OH : rot -140:sc= 0.611 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.437 -19.046 -2.614 1.00 0.00 N ATOM 2 CA GLY A 1 8.094 -17.818 -2.130 1.00 0.00 C ATOM 3 C GLY A 1 7.360 -17.211 -0.958 1.00 0.00 C ATOM 4 O GLY A 1 7.776 -17.363 0.187 1.00 0.00 O ATOM 0 H1 GLY A 1 7.971 -19.432 -3.419 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.408 -19.749 -1.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.467 -18.824 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.119 -18.046 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.148 -17.091 -2.941 1.00 0.00 H new ATOM 10 N SER A 2 6.267 -16.530 -1.240 1.00 0.00 N ATOM 11 CA SER A 2 5.470 -15.907 -0.207 1.00 0.00 C ATOM 12 C SER A 2 4.540 -16.931 0.443 1.00 0.00 C ATOM 13 O SER A 2 3.965 -17.780 -0.240 1.00 0.00 O ATOM 14 CB SER A 2 4.661 -14.757 -0.800 1.00 0.00 C ATOM 15 OG SER A 2 5.512 -13.840 -1.469 1.00 0.00 O ATOM 0 H SER A 2 5.910 -16.395 -2.186 1.00 0.00 H new ATOM 0 HA SER A 2 6.136 -15.513 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.920 -15.148 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.115 -14.244 -0.009 1.00 0.00 H new ATOM 0 HG SER A 2 4.976 -13.110 -1.844 1.00 0.00 H new ATOM 21 N VAL A 3 4.390 -16.839 1.752 1.00 0.00 N ATOM 22 CA VAL A 3 3.543 -17.765 2.501 1.00 0.00 C ATOM 23 C VAL A 3 2.777 -16.999 3.586 1.00 0.00 C ATOM 24 O VAL A 3 1.796 -17.488 4.156 1.00 0.00 O ATOM 25 CB VAL A 3 4.381 -18.909 3.143 1.00 0.00 C ATOM 26 CG1 VAL A 3 5.303 -18.377 4.233 1.00 0.00 C ATOM 27 CG2 VAL A 3 3.481 -20.015 3.680 1.00 0.00 C ATOM 0 H VAL A 3 4.845 -16.129 2.326 1.00 0.00 H new ATOM 0 HA VAL A 3 2.837 -18.220 1.807 1.00 0.00 H new ATOM 0 HB VAL A 3 5.007 -19.337 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.874 -19.201 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.988 -17.645 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.708 -17.904 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.094 -20.800 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.814 -19.605 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.891 -20.432 2.864 1.00 0.00 H new ATOM 37 N GLU A 4 3.224 -15.785 3.836 1.00 0.00 N ATOM 38 CA GLU A 4 2.601 -14.927 4.815 1.00 0.00 C ATOM 39 C GLU A 4 1.637 -13.994 4.126 1.00 0.00 C ATOM 40 O GLU A 4 0.476 -13.911 4.510 1.00 0.00 O ATOM 41 CB GLU A 4 3.656 -14.185 5.638 1.00 0.00 C ATOM 42 CG GLU A 4 4.577 -15.136 6.388 1.00 0.00 C ATOM 43 CD GLU A 4 5.618 -14.431 7.219 1.00 0.00 C ATOM 44 OE1 GLU A 4 6.571 -13.888 6.639 1.00 0.00 O ATOM 45 OE2 GLU A 4 5.503 -14.454 8.464 1.00 0.00 O ATOM 0 H GLU A 4 4.028 -15.369 3.366 1.00 0.00 H new ATOM 0 HA GLU A 4 2.031 -15.529 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.250 -13.553 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.160 -13.526 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.977 -15.775 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.076 -15.788 5.671 1.00 0.00 H new ATOM 52 N LYS A 5 2.112 -13.306 3.097 1.00 0.00 N ATOM 53 CA LYS A 5 1.261 -12.458 2.290 1.00 0.00 C ATOM 54 C LYS A 5 0.739 -11.269 3.118 1.00 0.00 C ATOM 55 O LYS A 5 -0.447 -11.208 3.446 1.00 0.00 O ATOM 56 CB LYS A 5 0.089 -13.275 1.712 1.00 0.00 C ATOM 57 CG LYS A 5 -0.776 -12.512 0.732 1.00 0.00 C ATOM 58 CD LYS A 5 -1.887 -13.384 0.189 1.00 0.00 C ATOM 59 CE LYS A 5 -2.691 -12.651 -0.862 1.00 0.00 C ATOM 60 NZ LYS A 5 -1.821 -12.114 -1.937 1.00 0.00 N ATOM 0 H LYS A 5 3.089 -13.322 2.804 1.00 0.00 H new ATOM 0 HA LYS A 5 1.849 -12.062 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.488 -14.160 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.535 -13.625 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.203 -11.638 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.162 -12.146 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.464 -14.292 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.543 -13.692 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.429 -13.327 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.241 -11.834 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.316 -12.179 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.595 -11.119 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.941 -12.667 -1.980 1.00 0.00 H new ATOM 74 N LEU A 6 1.661 -10.383 3.536 1.00 0.00 N ATOM 75 CA LEU A 6 1.319 -9.143 4.244 1.00 0.00 C ATOM 76 C LEU A 6 1.069 -9.354 5.739 1.00 0.00 C ATOM 77 O LEU A 6 1.083 -8.393 6.506 1.00 0.00 O ATOM 78 CB LEU A 6 0.134 -8.405 3.586 1.00 0.00 C ATOM 79 CG LEU A 6 0.323 -8.018 2.112 1.00 0.00 C ATOM 80 CD1 LEU A 6 -0.886 -7.254 1.599 1.00 0.00 C ATOM 81 CD2 LEU A 6 1.592 -7.199 1.927 1.00 0.00 C ATOM 0 H LEU A 6 2.663 -10.509 3.391 1.00 0.00 H new ATOM 0 HA LEU A 6 2.200 -8.507 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.752 -9.035 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.067 -7.499 4.157 1.00 0.00 H new ATOM 0 HG LEU A 6 0.422 -8.935 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.732 -6.989 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.775 -7.878 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.019 -6.346 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.705 -6.936 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.528 -6.289 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.453 -7.784 2.250 1.00 0.00 H new ATOM 93 N THR A 7 0.881 -10.599 6.175 1.00 0.00 N ATOM 94 CA THR A 7 0.677 -10.840 7.542 1.00 0.00 C ATOM 95 C THR A 7 2.061 -11.155 8.141 1.00 0.00 C ATOM 96 O THR A 7 2.660 -12.175 7.831 1.00 0.00 O ATOM 97 CB THR A 7 -0.367 -11.988 7.818 1.00 0.00 C ATOM 98 OG1 THR A 7 -0.691 -12.039 9.213 1.00 0.00 O ATOM 99 CG2 THR A 7 0.127 -13.353 7.376 1.00 0.00 C ATOM 0 H THR A 7 0.871 -11.429 5.582 1.00 0.00 H new ATOM 0 HA THR A 7 0.237 -9.962 8.015 1.00 0.00 H new ATOM 0 HB THR A 7 -1.252 -11.748 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.341 -12.755 9.372 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.634 -14.103 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.328 -13.338 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.042 -13.600 7.914 1.00 0.00 H new ATOM 107 N ALA A 8 2.584 -10.196 8.887 1.00 0.00 N ATOM 108 CA ALA A 8 3.920 -10.237 9.511 1.00 0.00 C ATOM 109 C ALA A 8 4.939 -9.643 8.562 1.00 0.00 C ATOM 110 O ALA A 8 5.923 -9.056 8.989 1.00 0.00 O ATOM 111 CB ALA A 8 4.332 -11.630 9.990 1.00 0.00 C ATOM 0 H ALA A 8 2.082 -9.332 9.089 1.00 0.00 H new ATOM 0 HA ALA A 8 3.875 -9.633 10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.325 -11.582 10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.617 -11.986 10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.348 -12.316 9.143 1.00 0.00 H new ATOM 117 N ASP A 9 4.650 -9.746 7.257 1.00 0.00 N ATOM 118 CA ASP A 9 5.497 -9.130 6.222 1.00 0.00 C ATOM 119 C ASP A 9 5.542 -7.643 6.456 1.00 0.00 C ATOM 120 O ASP A 9 6.576 -7.000 6.314 1.00 0.00 O ATOM 121 CB ASP A 9 4.951 -9.375 4.803 1.00 0.00 C ATOM 122 CG ASP A 9 5.277 -10.737 4.240 1.00 0.00 C ATOM 123 OD1 ASP A 9 6.470 -11.084 4.167 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.341 -11.441 3.803 1.00 0.00 O ATOM 0 H ASP A 9 3.840 -10.248 6.893 1.00 0.00 H new ATOM 0 HA ASP A 9 6.487 -9.581 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.868 -9.250 4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.352 -8.613 4.135 1.00 0.00 H new ATOM 129 N ALA A 10 4.392 -7.108 6.826 1.00 0.00 N ATOM 130 CA ALA A 10 4.241 -5.675 7.099 1.00 0.00 C ATOM 131 C ALA A 10 5.128 -5.240 8.252 1.00 0.00 C ATOM 132 O ALA A 10 5.635 -4.120 8.270 1.00 0.00 O ATOM 133 CB ALA A 10 2.783 -5.319 7.385 1.00 0.00 C ATOM 0 H ALA A 10 3.534 -7.646 6.948 1.00 0.00 H new ATOM 0 HA ALA A 10 4.555 -5.137 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.702 -4.250 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.170 -5.575 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.436 -5.877 8.255 1.00 0.00 H new ATOM 139 N GLU A 11 5.336 -6.135 9.200 1.00 0.00 N ATOM 140 CA GLU A 11 6.176 -5.831 10.344 1.00 0.00 C ATOM 141 C GLU A 11 7.632 -5.972 9.951 1.00 0.00 C ATOM 142 O GLU A 11 8.514 -5.346 10.533 1.00 0.00 O ATOM 143 CB GLU A 11 5.851 -6.739 11.528 1.00 0.00 C ATOM 144 CG GLU A 11 4.422 -6.610 12.032 1.00 0.00 C ATOM 145 CD GLU A 11 4.203 -7.354 13.328 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.249 -8.596 13.316 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.990 -6.695 14.370 1.00 0.00 O ATOM 0 H GLU A 11 4.937 -7.074 9.201 1.00 0.00 H new ATOM 0 HA GLU A 11 5.982 -4.805 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.031 -7.774 11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.536 -6.512 12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.183 -5.556 12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.736 -6.992 11.276 1.00 0.00 H new ATOM 154 N LEU A 12 7.870 -6.780 8.929 1.00 0.00 N ATOM 155 CA LEU A 12 9.211 -6.972 8.400 1.00 0.00 C ATOM 156 C LEU A 12 9.620 -5.702 7.688 1.00 0.00 C ATOM 157 O LEU A 12 10.731 -5.218 7.843 1.00 0.00 O ATOM 158 CB LEU A 12 9.270 -8.159 7.414 1.00 0.00 C ATOM 159 CG LEU A 12 8.619 -9.475 7.867 1.00 0.00 C ATOM 160 CD1 LEU A 12 8.954 -10.601 6.914 1.00 0.00 C ATOM 161 CD2 LEU A 12 9.010 -9.827 9.287 1.00 0.00 C ATOM 0 H LEU A 12 7.148 -7.316 8.448 1.00 0.00 H new ATOM 0 HA LEU A 12 9.889 -7.196 9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.796 -7.850 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.317 -8.359 7.187 1.00 0.00 H new ATOM 0 HG LEU A 12 7.539 -9.331 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.481 -11.521 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.588 -10.355 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.035 -10.739 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.532 -10.763 9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.093 -9.938 9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.688 -9.033 9.961 1.00 0.00 H new ATOM 173 N GLN A 13 8.679 -5.161 6.916 1.00 0.00 N ATOM 174 CA GLN A 13 8.868 -3.901 6.194 1.00 0.00 C ATOM 175 C GLN A 13 9.053 -2.751 7.181 1.00 0.00 C ATOM 176 O GLN A 13 9.700 -1.742 6.876 1.00 0.00 O ATOM 177 CB GLN A 13 7.652 -3.625 5.303 1.00 0.00 C ATOM 178 CG GLN A 13 7.432 -4.668 4.219 1.00 0.00 C ATOM 179 CD GLN A 13 6.068 -4.558 3.566 1.00 0.00 C ATOM 180 OE1 GLN A 13 5.109 -5.209 3.988 1.00 0.00 O ATOM 181 NE2 GLN A 13 5.962 -3.728 2.553 1.00 0.00 N ATOM 0 H GLN A 13 7.762 -5.584 6.772 1.00 0.00 H new ATOM 0 HA GLN A 13 9.760 -3.982 5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.761 -3.572 5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.772 -2.648 4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.204 -4.562 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.544 -5.663 4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.778 -3.207 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.063 -3.605 2.087 1.00 0.00 H new ATOM 190 N ARG A 14 8.494 -2.924 8.368 1.00 0.00 N ATOM 191 CA ARG A 14 8.581 -1.917 9.416 1.00 0.00 C ATOM 192 C ARG A 14 9.947 -1.988 10.083 1.00 0.00 C ATOM 193 O ARG A 14 10.650 -0.985 10.176 1.00 0.00 O ATOM 194 CB ARG A 14 7.454 -2.111 10.458 1.00 0.00 C ATOM 195 CG ARG A 14 7.404 -1.054 11.561 1.00 0.00 C ATOM 196 CD ARG A 14 6.985 0.312 11.030 1.00 0.00 C ATOM 197 NE ARG A 14 8.113 1.080 10.493 1.00 0.00 N ATOM 198 CZ ARG A 14 8.005 2.007 9.535 1.00 0.00 C ATOM 199 NH1 ARG A 14 6.846 2.200 8.917 1.00 0.00 N ATOM 200 NH2 ARG A 14 9.060 2.732 9.193 1.00 0.00 N ATOM 0 H ARG A 14 7.971 -3.759 8.632 1.00 0.00 H new ATOM 0 HA ARG A 14 8.456 -0.931 8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.496 -2.117 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.572 -3.091 10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.705 -1.371 12.335 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.384 -0.974 12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.236 0.180 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.513 0.880 11.832 1.00 0.00 H new ATOM 0 HE ARG A 14 9.040 0.895 10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.033 1.640 9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.769 2.908 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.954 2.583 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.978 3.439 8.462 1.00 0.00 H new ATOM 214 N LEU A 15 10.329 -3.190 10.515 1.00 0.00 N ATOM 215 CA LEU A 15 11.612 -3.409 11.171 1.00 0.00 C ATOM 216 C LEU A 15 12.762 -3.115 10.218 1.00 0.00 C ATOM 217 O LEU A 15 13.747 -2.490 10.602 1.00 0.00 O ATOM 218 CB LEU A 15 11.711 -4.850 11.686 1.00 0.00 C ATOM 219 CG LEU A 15 13.014 -5.215 12.404 1.00 0.00 C ATOM 220 CD1 LEU A 15 13.195 -4.376 13.659 1.00 0.00 C ATOM 221 CD2 LEU A 15 13.039 -6.698 12.741 1.00 0.00 C ATOM 0 H LEU A 15 9.761 -4.032 10.420 1.00 0.00 H new ATOM 0 HA LEU A 15 11.681 -2.727 12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.880 -5.030 12.368 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.582 -5.527 10.842 1.00 0.00 H new ATOM 0 HG LEU A 15 13.845 -5.000 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.127 -4.654 14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.228 -3.320 13.389 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.360 -4.552 14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.972 -6.940 13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.198 -6.938 13.391 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.966 -7.281 11.823 1.00 0.00 H new ATOM 233 N LYS A 16 12.619 -3.566 8.974 1.00 0.00 N ATOM 234 CA LYS A 16 13.643 -3.356 7.943 1.00 0.00 C ATOM 235 C LYS A 16 13.978 -1.881 7.802 1.00 0.00 C ATOM 236 O LYS A 16 15.144 -1.508 7.721 1.00 0.00 O ATOM 237 CB LYS A 16 13.182 -3.926 6.588 1.00 0.00 C ATOM 238 CG LYS A 16 14.162 -3.705 5.449 1.00 0.00 C ATOM 239 CD LYS A 16 13.669 -4.360 4.170 1.00 0.00 C ATOM 240 CE LYS A 16 14.612 -4.097 3.010 1.00 0.00 C ATOM 241 NZ LYS A 16 14.729 -2.651 2.707 1.00 0.00 N ATOM 0 H LYS A 16 11.801 -4.082 8.650 1.00 0.00 H new ATOM 0 HA LYS A 16 14.542 -3.887 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.007 -4.996 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.227 -3.473 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.299 -2.636 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.136 -4.113 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.572 -5.435 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.676 -3.982 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.597 -4.499 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.255 -4.625 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.166 -2.527 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.783 -2.219 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.320 -2.192 3.429 1.00 0.00 H new ATOM 255 N ASN A 17 12.952 -1.044 7.795 1.00 0.00 N ATOM 256 CA ASN A 17 13.159 0.397 7.668 1.00 0.00 C ATOM 257 C ASN A 17 13.888 0.947 8.884 1.00 0.00 C ATOM 258 O ASN A 17 14.892 1.654 8.754 1.00 0.00 O ATOM 259 CB ASN A 17 11.828 1.148 7.485 1.00 0.00 C ATOM 260 CG ASN A 17 12.045 2.642 7.322 1.00 0.00 C ATOM 261 OD1 ASN A 17 12.209 3.137 6.205 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.043 3.370 8.423 1.00 0.00 N ATOM 0 H ASN A 17 11.976 -1.330 7.875 1.00 0.00 H new ATOM 0 HA ASN A 17 13.769 0.555 6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.307 0.758 6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.185 0.965 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.180 4.379 8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.904 2.923 9.329 1.00 0.00 H new ATOM 269 N GLU A 18 13.389 0.601 10.066 1.00 0.00 N ATOM 270 CA GLU A 18 13.956 1.090 11.318 1.00 0.00 C ATOM 271 C GLU A 18 15.407 0.664 11.458 1.00 0.00 C ATOM 272 O GLU A 18 16.266 1.460 11.839 1.00 0.00 O ATOM 273 CB GLU A 18 13.150 0.576 12.513 1.00 0.00 C ATOM 274 CG GLU A 18 11.651 0.801 12.397 1.00 0.00 C ATOM 275 CD GLU A 18 11.294 2.220 12.022 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.172 3.071 12.933 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.115 2.489 10.819 1.00 0.00 O ATOM 0 H GLU A 18 12.588 -0.020 10.183 1.00 0.00 H new ATOM 0 HA GLU A 18 13.910 2.179 11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.338 -0.491 12.632 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.511 1.066 13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.244 0.120 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.177 0.552 13.347 1.00 0.00 H new ATOM 284 N ARG A 19 15.673 -0.588 11.130 1.00 0.00 N ATOM 285 CA ARG A 19 17.018 -1.142 11.219 1.00 0.00 C ATOM 286 C ARG A 19 17.927 -0.501 10.181 1.00 0.00 C ATOM 287 O ARG A 19 19.084 -0.174 10.466 1.00 0.00 O ATOM 288 CB ARG A 19 16.994 -2.664 11.026 1.00 0.00 C ATOM 289 CG ARG A 19 18.336 -3.334 11.235 1.00 0.00 C ATOM 290 CD ARG A 19 18.229 -4.828 11.028 1.00 0.00 C ATOM 291 NE ARG A 19 19.455 -5.526 11.396 1.00 0.00 N ATOM 292 CZ ARG A 19 19.520 -6.833 11.645 1.00 0.00 C ATOM 293 NH1 ARG A 19 18.432 -7.590 11.519 1.00 0.00 N ATOM 294 NH2 ARG A 19 20.669 -7.383 12.012 1.00 0.00 N ATOM 0 H ARG A 19 14.970 -1.248 10.796 1.00 0.00 H new ATOM 0 HA ARG A 19 17.408 -0.924 12.213 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.272 -3.096 11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.642 -2.886 10.019 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.067 -2.918 10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.698 -3.127 12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.400 -5.216 11.620 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.997 -5.032 9.983 1.00 0.00 H new ATOM 0 HE ARG A 19 20.314 -4.981 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.548 -7.169 11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.482 -8.591 11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 19 21.505 -6.805 12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.717 -8.384 12.202 1.00 0.00 H new ATOM 308 N HIS A 20 17.394 -0.300 8.985 1.00 0.00 N ATOM 309 CA HIS A 20 18.165 0.298 7.903 1.00 0.00 C ATOM 310 C HIS A 20 18.562 1.725 8.250 1.00 0.00 C ATOM 311 O HIS A 20 19.728 2.085 8.142 1.00 0.00 O ATOM 312 CB HIS A 20 17.401 0.267 6.565 1.00 0.00 C ATOM 313 CG HIS A 20 18.198 0.798 5.408 1.00 0.00 C ATOM 314 ND1 HIS A 20 17.975 2.035 4.842 1.00 0.00 N ATOM 315 CD2 HIS A 20 19.229 0.254 4.717 1.00 0.00 C ATOM 316 CE1 HIS A 20 18.828 2.234 3.862 1.00 0.00 C ATOM 317 NE2 HIS A 20 19.604 1.169 3.760 1.00 0.00 N ATOM 0 H HIS A 20 16.434 -0.541 8.739 1.00 0.00 H new ATOM 0 HA HIS A 20 19.067 -0.301 7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.102 -0.759 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.486 0.851 6.664 1.00 0.00 H new ATOM 0 HD2 HIS A 20 19.673 -0.716 4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.885 3.118 3.245 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.357 1.046 3.083 1.00 0.00 H new ATOM 325 N GLU A 21 17.602 2.527 8.715 1.00 0.00 N ATOM 326 CA GLU A 21 17.886 3.923 9.046 1.00 0.00 C ATOM 327 C GLU A 21 18.779 4.015 10.277 1.00 0.00 C ATOM 328 O GLU A 21 19.502 4.997 10.460 1.00 0.00 O ATOM 329 CB GLU A 21 16.596 4.731 9.278 1.00 0.00 C ATOM 330 CG GLU A 21 15.712 4.882 8.046 1.00 0.00 C ATOM 331 CD GLU A 21 14.675 5.980 8.212 1.00 0.00 C ATOM 332 OE1 GLU A 21 13.486 5.667 8.452 1.00 0.00 O ATOM 333 OE2 GLU A 21 15.048 7.166 8.116 1.00 0.00 O ATOM 0 H GLU A 21 16.636 2.239 8.869 1.00 0.00 H new ATOM 0 HA GLU A 21 18.407 4.354 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.018 4.249 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.865 5.723 9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.335 5.102 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.208 3.937 7.845 1.00 0.00 H new ATOM 340 N GLU A 22 18.754 2.979 11.098 1.00 0.00 N ATOM 341 CA GLU A 22 19.550 2.961 12.316 1.00 0.00 C ATOM 342 C GLU A 22 21.025 2.806 11.982 1.00 0.00 C ATOM 343 O GLU A 22 21.877 3.504 12.544 1.00 0.00 O ATOM 344 CB GLU A 22 19.090 1.850 13.271 1.00 0.00 C ATOM 345 CG GLU A 22 19.813 1.851 14.607 1.00 0.00 C ATOM 346 CD GLU A 22 19.205 0.881 15.586 1.00 0.00 C ATOM 347 OE1 GLU A 22 18.302 1.290 16.349 1.00 0.00 O ATOM 348 OE2 GLU A 22 19.610 -0.299 15.595 1.00 0.00 O ATOM 0 H GLU A 22 18.193 2.141 10.945 1.00 0.00 H new ATOM 0 HA GLU A 22 19.405 3.914 12.825 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.020 1.956 13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.239 0.884 12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.861 1.597 14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.788 2.855 15.031 1.00 0.00 H new ATOM 355 N ALA A 23 21.334 1.915 11.041 1.00 0.00 N ATOM 356 CA ALA A 23 22.720 1.700 10.631 1.00 0.00 C ATOM 357 C ALA A 23 23.223 2.881 9.815 1.00 0.00 C ATOM 358 O ALA A 23 24.419 3.201 9.837 1.00 0.00 O ATOM 359 CB ALA A 23 22.867 0.398 9.840 1.00 0.00 C ATOM 0 H ALA A 23 20.651 1.336 10.553 1.00 0.00 H new ATOM 0 HA ALA A 23 23.328 1.615 11.532 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.909 0.265 9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.554 -0.442 10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.243 0.442 8.947 1.00 0.00 H new ATOM 365 N GLU A 24 22.304 3.548 9.114 1.00 0.00 N ATOM 366 CA GLU A 24 22.655 4.719 8.320 1.00 0.00 C ATOM 367 C GLU A 24 23.059 5.854 9.247 1.00 0.00 C ATOM 368 O GLU A 24 23.940 6.657 8.927 1.00 0.00 O ATOM 369 CB GLU A 24 21.481 5.168 7.436 1.00 0.00 C ATOM 370 CG GLU A 24 21.021 4.132 6.420 1.00 0.00 C ATOM 371 CD GLU A 24 22.123 3.693 5.489 1.00 0.00 C ATOM 372 OE1 GLU A 24 22.530 4.492 4.626 1.00 0.00 O ATOM 373 OE2 GLU A 24 22.590 2.540 5.610 1.00 0.00 O ATOM 0 H GLU A 24 21.316 3.296 9.082 1.00 0.00 H new ATOM 0 HA GLU A 24 23.487 4.454 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.639 5.428 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.769 6.075 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.630 3.262 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.200 4.545 5.834 1.00 0.00 H new ATOM 380 N LEU A 25 22.420 5.897 10.412 1.00 0.00 N ATOM 381 CA LEU A 25 22.712 6.908 11.404 1.00 0.00 C ATOM 382 C LEU A 25 24.067 6.637 12.025 1.00 0.00 C ATOM 383 O LEU A 25 24.882 7.541 12.168 1.00 0.00 O ATOM 384 CB LEU A 25 21.632 6.926 12.486 1.00 0.00 C ATOM 385 CG LEU A 25 21.761 8.033 13.535 1.00 0.00 C ATOM 386 CD1 LEU A 25 21.627 9.402 12.889 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.722 7.853 14.626 1.00 0.00 C ATOM 0 H LEU A 25 21.693 5.236 10.687 1.00 0.00 H new ATOM 0 HA LEU A 25 22.728 7.883 10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.660 7.021 12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.640 5.964 12.997 1.00 0.00 H new ATOM 0 HG LEU A 25 22.751 7.965 13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.722 10.175 13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.411 9.531 12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.652 9.484 12.409 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.828 8.648 15.364 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.724 7.894 14.189 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.867 6.887 15.110 1.00 0.00 H new ATOM 399 N GLU A 26 24.295 5.376 12.402 1.00 0.00 N ATOM 400 CA GLU A 26 25.579 4.955 12.970 1.00 0.00 C ATOM 401 C GLU A 26 26.736 5.391 12.072 1.00 0.00 C ATOM 402 O GLU A 26 27.746 5.909 12.549 1.00 0.00 O ATOM 403 CB GLU A 26 25.626 3.439 13.153 1.00 0.00 C ATOM 404 CG GLU A 26 26.925 2.955 13.777 1.00 0.00 C ATOM 405 CD GLU A 26 27.144 1.475 13.611 1.00 0.00 C ATOM 406 OE1 GLU A 26 27.381 1.035 12.470 1.00 0.00 O ATOM 407 OE2 GLU A 26 27.115 0.747 14.618 1.00 0.00 O ATOM 0 H GLU A 26 23.606 4.628 12.324 1.00 0.00 H new ATOM 0 HA GLU A 26 25.679 5.433 13.944 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.790 3.128 13.780 1.00 0.00 H new ATOM 0 HB3 GLU A 26 25.493 2.958 12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.760 3.493 13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.924 3.199 14.839 1.00 0.00 H new ATOM 414 N ARG A 27 26.569 5.197 10.770 1.00 0.00 N ATOM 415 CA ARG A 27 27.599 5.578 9.800 1.00 0.00 C ATOM 416 C ARG A 27 27.826 7.084 9.825 1.00 0.00 C ATOM 417 O ARG A 27 28.953 7.551 9.692 1.00 0.00 O ATOM 418 CB ARG A 27 27.217 5.142 8.381 1.00 0.00 C ATOM 419 CG ARG A 27 28.325 5.346 7.356 1.00 0.00 C ATOM 420 CD ARG A 27 27.816 5.116 5.945 1.00 0.00 C ATOM 421 NE ARG A 27 27.125 3.832 5.821 1.00 0.00 N ATOM 422 CZ ARG A 27 25.838 3.700 5.496 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.100 4.773 5.231 1.00 0.00 N ATOM 424 NH2 ARG A 27 25.287 2.499 5.437 1.00 0.00 N ATOM 0 H ARG A 27 25.734 4.780 10.358 1.00 0.00 H new ATOM 0 HA ARG A 27 28.520 5.069 10.084 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.939 4.088 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 27 26.335 5.699 8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.722 6.358 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 27 29.148 4.662 7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 27 27.138 5.923 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 27 28.652 5.148 5.247 1.00 0.00 H new ATOM 0 HE ARG A 27 27.662 2.983 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.517 5.703 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.116 4.667 4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.846 1.671 5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.303 2.401 5.188 1.00 0.00 H new ATOM 438 N LEU A 28 26.758 7.835 10.067 1.00 0.00 N ATOM 439 CA LEU A 28 26.838 9.295 10.068 1.00 0.00 C ATOM 440 C LEU A 28 27.453 9.776 11.375 1.00 0.00 C ATOM 441 O LEU A 28 28.030 10.853 11.447 1.00 0.00 O ATOM 442 CB LEU A 28 25.443 9.925 9.866 1.00 0.00 C ATOM 443 CG LEU A 28 25.407 11.455 9.759 1.00 0.00 C ATOM 444 CD1 LEU A 28 26.203 11.930 8.554 1.00 0.00 C ATOM 445 CD2 LEU A 28 23.970 11.949 9.680 1.00 0.00 C ATOM 0 H LEU A 28 25.830 7.462 10.264 1.00 0.00 H new ATOM 0 HA LEU A 28 27.471 9.608 9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 28 25.005 9.507 8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.806 9.623 10.697 1.00 0.00 H new ATOM 0 HG LEU A 28 25.867 11.872 10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 28 26.164 13.018 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 27.240 11.609 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.777 11.504 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.963 13.036 9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.486 11.521 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.431 11.644 10.577 1.00 0.00 H new ATOM 457 N LYS A 29 27.335 8.947 12.405 1.00 0.00 N ATOM 458 CA LYS A 29 27.919 9.246 13.706 1.00 0.00 C ATOM 459 C LYS A 29 29.410 8.946 13.663 1.00 0.00 C ATOM 460 O LYS A 29 30.208 9.570 14.364 1.00 0.00 O ATOM 461 CB LYS A 29 27.252 8.408 14.812 1.00 0.00 C ATOM 462 CG LYS A 29 25.765 8.689 15.010 1.00 0.00 C ATOM 463 CD LYS A 29 25.100 7.615 15.871 1.00 0.00 C ATOM 464 CE LYS A 29 25.675 7.570 17.283 1.00 0.00 C ATOM 465 NZ LYS A 29 25.171 8.678 18.135 1.00 0.00 N ATOM 0 H LYS A 29 26.837 8.058 12.363 1.00 0.00 H new ATOM 0 HA LYS A 29 27.757 10.300 13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.381 7.351 14.577 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.772 8.591 15.752 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.638 9.664 15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.271 8.736 14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 24.028 7.806 15.923 1.00 0.00 H new ATOM 0 HD3 LYS A 29 25.228 6.642 15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 25.422 6.616 17.745 1.00 0.00 H new ATOM 0 HE3 LYS A 29 26.763 7.621 17.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 25.786 8.783 18.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 25.172 9.563 17.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.202 8.464 18.446 1.00 0.00 H new ATOM 479 N SER A 30 29.774 7.993 12.814 1.00 0.00 N ATOM 480 CA SER A 30 31.161 7.588 12.649 1.00 0.00 C ATOM 481 C SER A 30 31.904 8.589 11.771 1.00 0.00 C ATOM 482 O SER A 30 32.935 9.133 12.171 1.00 0.00 O ATOM 483 CB SER A 30 31.241 6.172 12.040 1.00 0.00 C ATOM 484 OG SER A 30 32.585 5.752 11.879 1.00 0.00 O ATOM 0 H SER A 30 29.118 7.482 12.223 1.00 0.00 H new ATOM 0 HA SER A 30 31.636 7.568 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.713 5.468 12.683 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.737 6.161 11.074 1.00 0.00 H new ATOM 0 HG SER A 30 32.602 4.851 11.493 1.00 0.00 H new ATOM 490 N GLU A 31 31.357 8.854 10.582 1.00 0.00 N ATOM 491 CA GLU A 31 31.968 9.792 9.639 1.00 0.00 C ATOM 492 C GLU A 31 32.041 11.193 10.238 1.00 0.00 C ATOM 493 O GLU A 31 32.876 12.009 9.845 1.00 0.00 O ATOM 494 CB GLU A 31 31.186 9.815 8.325 1.00 0.00 C ATOM 495 CG GLU A 31 31.133 8.466 7.626 1.00 0.00 C ATOM 496 CD GLU A 31 30.353 8.506 6.332 1.00 0.00 C ATOM 497 OE1 GLU A 31 29.118 8.372 6.373 1.00 0.00 O ATOM 498 OE2 GLU A 31 30.979 8.660 5.257 1.00 0.00 O ATOM 0 H GLU A 31 30.490 8.431 10.250 1.00 0.00 H new ATOM 0 HA GLU A 31 32.984 9.455 9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 31 30.169 10.153 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 31 31.639 10.545 7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 31 32.149 8.128 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 31 30.681 7.733 8.295 1.00 0.00 H new ATOM 505 N ARG A 32 31.174 11.457 11.206 1.00 0.00 N ATOM 506 CA ARG A 32 31.154 12.736 11.887 1.00 0.00 C ATOM 507 C ARG A 32 32.411 12.899 12.730 1.00 0.00 C ATOM 508 O ARG A 32 32.901 14.001 12.913 1.00 0.00 O ATOM 509 CB ARG A 32 29.918 12.842 12.778 1.00 0.00 C ATOM 510 CG ARG A 32 29.753 14.190 13.456 1.00 0.00 C ATOM 511 CD ARG A 32 28.598 14.171 14.439 1.00 0.00 C ATOM 512 NE ARG A 32 28.849 13.263 15.560 1.00 0.00 N ATOM 513 CZ ARG A 32 27.923 12.501 16.139 1.00 0.00 C ATOM 514 NH1 ARG A 32 26.685 12.471 15.661 1.00 0.00 N ATOM 515 NH2 ARG A 32 28.247 11.759 17.189 1.00 0.00 N ATOM 0 H ARG A 32 30.472 10.795 11.536 1.00 0.00 H new ATOM 0 HA ARG A 32 31.120 13.528 11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.032 12.640 12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 32 29.968 12.067 13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 32 30.673 14.453 13.977 1.00 0.00 H new ATOM 0 HG3 ARG A 32 29.581 14.960 12.704 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.428 15.178 14.819 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.687 13.867 13.923 1.00 0.00 H new ATOM 0 HE ARG A 32 29.801 13.210 15.923 1.00 0.00 H new ATOM 0 HH11 ARG A 32 26.439 13.033 14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.980 11.886 16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.201 11.774 17.549 1.00 0.00 H new ATOM 0 HH22 ARG A 32 27.542 11.173 17.637 1.00 0.00 H new ATOM 529 N HIS A 33 32.939 11.779 13.222 1.00 0.00 N ATOM 530 CA HIS A 33 34.123 11.802 14.069 1.00 0.00 C ATOM 531 C HIS A 33 35.386 11.898 13.223 1.00 0.00 C ATOM 532 O HIS A 33 36.439 12.316 13.707 1.00 0.00 O ATOM 533 CB HIS A 33 34.182 10.557 14.964 1.00 0.00 C ATOM 534 CG HIS A 33 35.258 10.621 16.009 1.00 0.00 C ATOM 535 ND1 HIS A 33 36.393 9.838 15.979 1.00 0.00 N ATOM 536 CD2 HIS A 33 35.370 11.394 17.116 1.00 0.00 C ATOM 537 CE1 HIS A 33 37.154 10.125 17.016 1.00 0.00 C ATOM 538 NE2 HIS A 33 36.556 11.067 17.721 1.00 0.00 N ATOM 0 H HIS A 33 32.564 10.847 13.047 1.00 0.00 H new ATOM 0 HA HIS A 33 34.060 12.683 14.708 1.00 0.00 H new ATOM 0 HB2 HIS A 33 33.217 10.426 15.455 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.344 9.678 14.340 1.00 0.00 H new ATOM 0 HD2 HIS A 33 34.658 12.130 17.458 1.00 0.00 H new ATOM 0 HE1 HIS A 33 38.104 9.668 17.249 1.00 0.00 H new ATOM 0 HE2 HIS A 33 36.918 11.485 18.578 1.00 0.00 H new ATOM 546 N ASP A 34 35.276 11.518 11.956 1.00 0.00 N ATOM 547 CA ASP A 34 36.417 11.582 11.039 1.00 0.00 C ATOM 548 C ASP A 34 36.818 13.020 10.740 1.00 0.00 C ATOM 549 O ASP A 34 37.856 13.273 10.121 1.00 0.00 O ATOM 550 CB ASP A 34 36.185 10.786 9.744 1.00 0.00 C ATOM 551 CG ASP A 34 36.358 9.291 9.954 1.00 0.00 C ATOM 552 OD1 ASP A 34 37.518 8.837 10.136 1.00 0.00 O ATOM 553 OD2 ASP A 34 35.351 8.560 9.942 1.00 0.00 O ATOM 0 H ASP A 34 34.416 11.164 11.538 1.00 0.00 H new ATOM 0 HA ASP A 34 37.249 11.103 11.555 1.00 0.00 H new ATOM 0 HB2 ASP A 34 35.180 10.986 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 34 36.882 11.127 8.979 1.00 0.00 H new ATOM 558 N HIS A 35 35.985 13.969 11.169 1.00 0.00 N ATOM 559 CA HIS A 35 36.310 15.388 11.022 1.00 0.00 C ATOM 560 C HIS A 35 37.606 15.694 11.781 1.00 0.00 C ATOM 561 O HIS A 35 38.386 16.551 11.380 1.00 0.00 O ATOM 562 CB HIS A 35 35.148 16.298 11.520 1.00 0.00 C ATOM 563 CG HIS A 35 34.995 16.393 13.027 1.00 0.00 C ATOM 564 ND1 HIS A 35 35.172 15.323 13.881 1.00 0.00 N ATOM 565 CD2 HIS A 35 34.688 17.448 13.819 1.00 0.00 C ATOM 566 CE1 HIS A 35 34.979 15.719 15.127 1.00 0.00 C ATOM 567 NE2 HIS A 35 34.688 16.998 15.113 1.00 0.00 N ATOM 0 H HIS A 35 35.088 13.783 11.617 1.00 0.00 H new ATOM 0 HA HIS A 35 36.452 15.603 9.963 1.00 0.00 H new ATOM 0 HB2 HIS A 35 35.300 17.302 11.123 1.00 0.00 H new ATOM 0 HB3 HIS A 35 34.213 15.927 11.100 1.00 0.00 H new ATOM 0 HD2 HIS A 35 34.482 18.456 13.491 1.00 0.00 H new ATOM 0 HE1 HIS A 35 35.049 15.096 16.006 1.00 0.00 H new ATOM 0 HE2 HIS A 35 34.492 17.568 15.936 1.00 0.00 H new ATOM 575 N ASP A 36 37.826 14.940 12.860 1.00 0.00 N ATOM 576 CA ASP A 36 39.020 15.076 13.705 1.00 0.00 C ATOM 577 C ASP A 36 40.268 14.678 12.930 1.00 0.00 C ATOM 578 O ASP A 36 41.344 15.241 13.124 1.00 0.00 O ATOM 579 CB ASP A 36 38.887 14.204 14.965 1.00 0.00 C ATOM 580 CG ASP A 36 40.070 14.340 15.894 1.00 0.00 C ATOM 581 OD1 ASP A 36 40.123 15.335 16.648 1.00 0.00 O ATOM 582 OD2 ASP A 36 40.945 13.448 15.888 1.00 0.00 O ATOM 0 H ASP A 36 37.181 14.215 13.175 1.00 0.00 H new ATOM 0 HA ASP A 36 39.110 16.120 14.006 1.00 0.00 H new ATOM 0 HB2 ASP A 36 37.977 14.480 15.499 1.00 0.00 H new ATOM 0 HB3 ASP A 36 38.780 13.160 14.670 1.00 0.00 H new ATOM 587 N LYS A 37 40.099 13.720 12.024 1.00 0.00 N ATOM 588 CA LYS A 37 41.194 13.230 11.184 1.00 0.00 C ATOM 589 C LYS A 37 41.568 14.291 10.162 1.00 0.00 C ATOM 590 O LYS A 37 42.596 14.195 9.493 1.00 0.00 O ATOM 591 CB LYS A 37 40.753 11.980 10.424 1.00 0.00 C ATOM 592 CG LYS A 37 39.989 10.964 11.248 1.00 0.00 C ATOM 593 CD LYS A 37 40.875 10.251 12.242 1.00 0.00 C ATOM 594 CE LYS A 37 40.134 9.095 12.881 1.00 0.00 C ATOM 595 NZ LYS A 37 39.617 8.141 11.860 1.00 0.00 N ATOM 0 H LYS A 37 39.205 13.261 11.849 1.00 0.00 H new ATOM 0 HA LYS A 37 42.044 12.999 11.826 1.00 0.00 H new ATOM 0 HB2 LYS A 37 40.130 12.286 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 37 41.636 11.496 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 37 39.180 11.465 11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 37 39.529 10.232 10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 37 41.771 9.884 11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 37 41.204 10.950 13.011 1.00 0.00 H new ATOM 0 HE2 LYS A 37 40.800 8.570 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 37 39.304 9.478 13.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 39.409 7.228 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 38.748 8.524 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 40.333 8.005 11.118 1.00 0.00 H new ATOM 609 N LYS A 38 40.697 15.292 10.045 1.00 0.00 N ATOM 610 CA LYS A 38 40.839 16.384 9.091 1.00 0.00 C ATOM 611 C LYS A 38 40.622 15.901 7.669 1.00 0.00 C ATOM 612 O LYS A 38 41.053 16.536 6.706 1.00 0.00 O ATOM 613 CB LYS A 38 42.179 17.117 9.239 1.00 0.00 C ATOM 614 CG LYS A 38 42.379 17.757 10.608 1.00 0.00 C ATOM 615 CD LYS A 38 41.105 18.439 11.096 1.00 0.00 C ATOM 616 CE LYS A 38 41.351 19.275 12.339 1.00 0.00 C ATOM 617 NZ LYS A 38 42.139 20.489 12.029 1.00 0.00 N ATOM 0 H LYS A 38 39.859 15.366 10.622 1.00 0.00 H new ATOM 0 HA LYS A 38 40.060 17.111 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 38 42.991 16.413 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 38 42.247 17.890 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 38 42.684 16.996 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 38 43.187 18.487 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.707 19.074 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.348 17.684 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.397 19.562 12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.879 18.677 13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.160 21.111 12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.110 20.217 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 41.701 20.993 11.231 1.00 0.00 H new ATOM 631 N GLU A 39 39.924 14.778 7.544 1.00 0.00 N ATOM 632 CA GLU A 39 39.556 14.244 6.241 1.00 0.00 C ATOM 633 C GLU A 39 38.217 14.826 5.832 1.00 0.00 C ATOM 634 O GLU A 39 37.689 14.539 4.762 1.00 0.00 O ATOM 635 CB GLU A 39 39.483 12.717 6.270 1.00 0.00 C ATOM 636 CG GLU A 39 40.799 12.050 6.619 1.00 0.00 C ATOM 637 CD GLU A 39 40.720 10.546 6.548 1.00 0.00 C ATOM 638 OE1 GLU A 39 40.309 9.923 7.536 1.00 0.00 O ATOM 639 OE2 GLU A 39 41.085 9.975 5.496 1.00 0.00 O ATOM 0 H GLU A 39 39.601 14.219 8.334 1.00 0.00 H new ATOM 0 HA GLU A 39 40.320 14.523 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 39 38.728 12.412 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 39 39.152 12.359 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 39 41.573 12.403 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 39 41.099 12.348 7.624 1.00 0.00 H new ATOM 646 N ALA A 40 37.677 15.648 6.713 1.00 0.00 N ATOM 647 CA ALA A 40 36.429 16.329 6.481 1.00 0.00 C ATOM 648 C ALA A 40 36.518 17.744 7.026 1.00 0.00 C ATOM 649 O ALA A 40 36.541 18.701 6.265 1.00 0.00 O ATOM 650 CB ALA A 40 35.274 15.572 7.128 1.00 0.00 C ATOM 0 H ALA A 40 38.101 15.860 7.616 1.00 0.00 H new ATOM 0 HA ALA A 40 36.239 16.372 5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 40 34.341 16.103 6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.213 14.570 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 40 35.442 15.501 8.203 1.00 0.00 H new ATOM 656 N GLU A 41 36.589 17.853 8.363 1.00 0.00 N ATOM 657 CA GLU A 41 36.694 19.134 9.059 1.00 0.00 C ATOM 658 C GLU A 41 35.550 20.044 8.660 1.00 0.00 C ATOM 659 O GLU A 41 35.700 20.937 7.815 1.00 0.00 O ATOM 660 CB GLU A 41 38.051 19.814 8.813 1.00 0.00 C ATOM 661 CG GLU A 41 38.327 20.974 9.761 1.00 0.00 C ATOM 662 CD GLU A 41 39.594 21.727 9.425 1.00 0.00 C ATOM 663 OE1 GLU A 41 39.529 22.660 8.598 1.00 0.00 O ATOM 664 OE2 GLU A 41 40.657 21.397 9.991 1.00 0.00 O ATOM 0 H GLU A 41 36.575 17.048 8.989 1.00 0.00 H new ATOM 0 HA GLU A 41 36.628 18.936 10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 41 38.844 19.073 8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 41 38.086 20.178 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 41 37.484 21.664 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 41 38.397 20.594 10.780 1.00 0.00 H new ATOM 671 N ARG A 42 34.403 19.800 9.256 1.00 0.00 N ATOM 672 CA ARG A 42 33.224 20.514 8.953 1.00 0.00 C ATOM 673 C ARG A 42 32.184 20.224 10.005 1.00 0.00 C ATOM 674 O ARG A 42 31.884 19.072 10.317 1.00 0.00 O ATOM 675 CB ARG A 42 32.694 20.128 7.560 1.00 0.00 C ATOM 676 CG ARG A 42 32.412 18.639 7.392 1.00 0.00 C ATOM 677 CD ARG A 42 31.911 18.314 5.999 1.00 0.00 C ATOM 678 NE ARG A 42 32.917 18.579 4.974 1.00 0.00 N ATOM 679 CZ ARG A 42 32.880 18.069 3.742 1.00 0.00 C ATOM 680 NH1 ARG A 42 31.879 17.269 3.374 1.00 0.00 N ATOM 681 NH2 ARG A 42 33.842 18.361 2.876 1.00 0.00 N ATOM 0 H ARG A 42 34.282 19.085 9.973 1.00 0.00 H new ATOM 0 HA ARG A 42 33.447 21.581 8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.777 20.685 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.421 20.436 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.321 18.072 7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.671 18.324 8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.619 17.265 5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.018 18.903 5.790 1.00 0.00 H new ATOM 0 HE ARG A 42 33.696 19.192 5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.136 17.044 4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.856 16.882 2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.608 18.975 3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.815 17.972 1.934 1.00 0.00 H new ATOM 695 N LYS A 43 31.669 21.266 10.545 1.00 0.00 N ATOM 696 CA LYS A 43 30.586 21.200 11.532 1.00 0.00 C ATOM 697 C LYS A 43 29.285 20.740 10.889 1.00 0.00 C ATOM 698 O LYS A 43 28.339 20.403 11.580 1.00 0.00 O ATOM 699 CB LYS A 43 30.382 22.560 12.225 1.00 0.00 C ATOM 700 CG LYS A 43 31.375 22.837 13.341 1.00 0.00 C ATOM 701 CD LYS A 43 30.968 22.117 14.621 1.00 0.00 C ATOM 702 CE LYS A 43 32.061 22.174 15.679 1.00 0.00 C ATOM 703 NZ LYS A 43 33.250 21.372 15.289 1.00 0.00 N ATOM 0 H LYS A 43 31.972 22.216 10.330 1.00 0.00 H new ATOM 0 HA LYS A 43 30.877 20.469 12.286 1.00 0.00 H new ATOM 0 HB2 LYS A 43 30.458 23.352 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 43 29.372 22.601 12.632 1.00 0.00 H new ATOM 0 HG2 LYS A 43 32.370 22.512 13.037 1.00 0.00 H new ATOM 0 HG3 LYS A 43 31.432 23.910 13.525 1.00 0.00 H new ATOM 0 HD2 LYS A 43 30.057 22.567 15.016 1.00 0.00 H new ATOM 0 HD3 LYS A 43 30.737 21.076 14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 43 32.358 23.210 15.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 31.669 21.805 16.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 33.921 21.338 16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 32.952 20.406 15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 33.709 21.810 14.465 1.00 0.00 H new ATOM 717 N ALA A 44 29.257 20.734 9.558 1.00 0.00 N ATOM 718 CA ALA A 44 28.072 20.307 8.797 1.00 0.00 C ATOM 719 C ALA A 44 27.554 18.941 9.268 1.00 0.00 C ATOM 720 O ALA A 44 26.354 18.758 9.455 1.00 0.00 O ATOM 721 CB ALA A 44 28.367 20.276 7.298 1.00 0.00 C ATOM 0 H ALA A 44 30.044 21.021 8.976 1.00 0.00 H new ATOM 0 HA ALA A 44 27.289 21.042 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.475 19.957 6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 44 28.657 21.272 6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 44 29.179 19.576 7.101 1.00 0.00 H new ATOM 727 N LEU A 45 28.459 17.978 9.424 1.00 0.00 N ATOM 728 CA LEU A 45 28.090 16.644 9.910 1.00 0.00 C ATOM 729 C LEU A 45 27.600 16.677 11.359 1.00 0.00 C ATOM 730 O LEU A 45 26.822 15.822 11.779 1.00 0.00 O ATOM 731 CB LEU A 45 29.283 15.687 9.789 1.00 0.00 C ATOM 732 CG LEU A 45 29.789 15.424 8.368 1.00 0.00 C ATOM 733 CD1 LEU A 45 31.066 14.604 8.401 1.00 0.00 C ATOM 734 CD2 LEU A 45 28.723 14.711 7.549 1.00 0.00 C ATOM 0 H LEU A 45 29.452 18.093 9.222 1.00 0.00 H new ATOM 0 HA LEU A 45 27.269 16.288 9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 45 30.107 16.089 10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 45 29.005 14.733 10.237 1.00 0.00 H new ATOM 0 HG LEU A 45 30.006 16.383 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 45 31.411 14.427 7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 45 31.832 15.146 8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 45 30.873 13.649 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 45 29.098 14.531 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 45 28.478 13.759 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 45 27.828 15.331 7.498 1.00 0.00 H new ATOM 746 N GLU A 46 28.050 17.667 12.109 1.00 0.00 N ATOM 747 CA GLU A 46 27.693 17.780 13.516 1.00 0.00 C ATOM 748 C GLU A 46 26.355 18.500 13.695 1.00 0.00 C ATOM 749 O GLU A 46 25.531 18.090 14.502 1.00 0.00 O ATOM 750 CB GLU A 46 28.812 18.486 14.293 1.00 0.00 C ATOM 751 CG GLU A 46 30.161 17.780 14.175 1.00 0.00 C ATOM 752 CD GLU A 46 31.260 18.454 14.964 1.00 0.00 C ATOM 753 OE1 GLU A 46 32.058 19.201 14.362 1.00 0.00 O ATOM 754 OE2 GLU A 46 31.337 18.237 16.192 1.00 0.00 O ATOM 0 H GLU A 46 28.664 18.407 11.769 1.00 0.00 H new ATOM 0 HA GLU A 46 27.575 16.775 13.920 1.00 0.00 H new ATOM 0 HB2 GLU A 46 28.911 19.508 13.928 1.00 0.00 H new ATOM 0 HB3 GLU A 46 28.532 18.549 15.345 1.00 0.00 H new ATOM 0 HG2 GLU A 46 30.056 16.751 14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 46 30.451 17.738 13.125 1.00 0.00 H new ATOM 761 N ASP A 47 26.151 19.582 12.939 1.00 0.00 N ATOM 762 CA ASP A 47 24.884 20.350 12.977 1.00 0.00 C ATOM 763 C ASP A 47 23.675 19.525 12.521 1.00 0.00 C ATOM 764 O ASP A 47 22.531 19.996 12.600 1.00 0.00 O ATOM 765 CB ASP A 47 24.973 21.627 12.120 1.00 0.00 C ATOM 766 CG ASP A 47 25.901 22.675 12.694 1.00 0.00 C ATOM 767 OD1 ASP A 47 26.859 23.078 11.996 1.00 0.00 O ATOM 768 OD2 ASP A 47 25.671 23.119 13.837 1.00 0.00 O ATOM 0 H ASP A 47 26.843 19.954 12.289 1.00 0.00 H new ATOM 0 HA ASP A 47 24.737 20.620 14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 47 25.313 21.361 11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 47 23.976 22.055 12.014 1.00 0.00 H new ATOM 773 N LYS A 48 23.918 18.315 12.035 1.00 0.00 N ATOM 774 CA LYS A 48 22.832 17.443 11.596 1.00 0.00 C ATOM 775 C LYS A 48 21.979 16.998 12.807 1.00 0.00 C ATOM 776 O LYS A 48 22.453 17.038 13.938 1.00 0.00 O ATOM 777 CB LYS A 48 23.380 16.207 10.869 1.00 0.00 C ATOM 778 CG LYS A 48 24.044 16.512 9.538 1.00 0.00 C ATOM 779 CD LYS A 48 23.026 16.969 8.507 1.00 0.00 C ATOM 780 CE LYS A 48 23.688 17.306 7.186 1.00 0.00 C ATOM 781 NZ LYS A 48 24.566 18.497 7.293 1.00 0.00 N ATOM 0 H LYS A 48 24.851 17.915 11.934 1.00 0.00 H new ATOM 0 HA LYS A 48 22.208 18.007 10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.101 15.708 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.563 15.505 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.799 17.286 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.560 15.623 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.284 16.185 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.494 17.843 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.275 16.452 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.922 17.487 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.025 18.673 6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.996 19.325 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.293 18.329 8.018 1.00 0.00 H new ATOM 795 N LEU A 49 20.730 16.551 12.568 1.00 0.00 N ATOM 796 CA LEU A 49 19.847 16.127 13.656 1.00 0.00 C ATOM 797 C LEU A 49 20.303 14.819 14.313 1.00 0.00 C ATOM 798 O LEU A 49 19.638 14.308 15.214 1.00 0.00 O ATOM 799 CB LEU A 49 18.386 16.022 13.160 1.00 0.00 C ATOM 800 CG LEU A 49 18.145 15.227 11.856 1.00 0.00 C ATOM 801 CD1 LEU A 49 18.309 13.728 12.071 1.00 0.00 C ATOM 802 CD2 LEU A 49 16.766 15.537 11.294 1.00 0.00 C ATOM 0 H LEU A 49 20.319 16.477 11.637 1.00 0.00 H new ATOM 0 HA LEU A 49 19.901 16.894 14.428 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.791 15.565 13.951 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.003 17.032 13.017 1.00 0.00 H new ATOM 0 HG LEU A 49 18.900 15.539 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.132 13.204 11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 49 19.321 13.519 12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.592 13.387 12.818 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.611 14.970 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.005 15.261 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.692 16.603 11.079 1.00 0.00 H new ATOM 814 N ALA A 50 21.422 14.271 13.841 1.00 0.00 N ATOM 815 CA ALA A 50 21.978 13.050 14.404 1.00 0.00 C ATOM 816 C ALA A 50 22.287 13.235 15.885 1.00 0.00 C ATOM 817 O ALA A 50 21.582 12.709 16.741 1.00 0.00 O ATOM 818 CB ALA A 50 23.233 12.640 13.643 1.00 0.00 C ATOM 0 H ALA A 50 21.961 14.659 13.066 1.00 0.00 H new ATOM 0 HA ALA A 50 21.238 12.256 14.306 1.00 0.00 H new ATOM 0 HB1 ALA A 50 23.638 11.725 14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 50 22.984 12.467 12.596 1.00 0.00 H new ATOM 0 HB3 ALA A 50 23.976 13.434 13.713 1.00 0.00 H new ATOM 824 N ASP A 51 23.332 13.998 16.175 1.00 0.00 N ATOM 825 CA ASP A 51 23.730 14.292 17.549 1.00 0.00 C ATOM 826 C ASP A 51 24.306 15.678 17.596 1.00 0.00 C ATOM 827 O ASP A 51 24.928 16.122 16.635 1.00 0.00 O ATOM 828 CB ASP A 51 24.792 13.307 18.074 1.00 0.00 C ATOM 829 CG ASP A 51 24.366 11.860 18.029 1.00 0.00 C ATOM 830 OD1 ASP A 51 24.886 11.117 17.162 1.00 0.00 O ATOM 831 OD2 ASP A 51 23.524 11.449 18.862 1.00 0.00 O ATOM 0 H ASP A 51 23.927 14.430 15.469 1.00 0.00 H new ATOM 0 HA ASP A 51 22.845 14.201 18.178 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.703 13.425 17.487 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.039 13.570 19.103 1.00 0.00 H new ATOM 836 N TYR A 52 24.114 16.356 18.695 1.00 0.00 N ATOM 837 CA TYR A 52 24.635 17.695 18.849 1.00 0.00 C ATOM 838 C TYR A 52 25.660 17.741 19.953 1.00 0.00 C ATOM 839 O TYR A 52 25.267 17.712 21.135 1.00 0.00 O ATOM 840 CB TYR A 52 23.510 18.691 19.107 1.00 0.00 C ATOM 841 CG TYR A 52 22.661 18.948 17.892 1.00 0.00 C ATOM 842 CD1 TYR A 52 21.489 18.237 17.670 1.00 0.00 C ATOM 843 CD2 TYR A 52 23.038 19.898 16.957 1.00 0.00 C ATOM 844 CE1 TYR A 52 20.719 18.470 16.551 1.00 0.00 C ATOM 845 CE2 TYR A 52 22.274 20.138 15.838 1.00 0.00 C ATOM 846 CZ TYR A 52 21.117 19.422 15.637 1.00 0.00 C ATOM 847 OH TYR A 52 20.355 19.662 14.518 1.00 0.00 O ATOM 848 OXT TYR A 52 26.860 17.791 19.644 1.00 0.00 O ATOM 0 H TYR A 52 23.599 16.005 19.502 1.00 0.00 H new ATOM 0 HA TYR A 52 25.125 17.979 17.918 1.00 0.00 H new ATOM 0 HB2 TYR A 52 22.878 18.316 19.912 1.00 0.00 H new ATOM 0 HB3 TYR A 52 23.938 19.633 19.450 1.00 0.00 H new ATOM 0 HD1 TYR A 52 21.176 17.490 18.385 1.00 0.00 H new ATOM 0 HD2 TYR A 52 23.948 20.460 17.109 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.809 17.910 16.391 1.00 0.00 H new ATOM 0 HE2 TYR A 52 22.581 20.885 15.121 1.00 0.00 H new ATOM 0 HH TYR A 52 20.942 19.804 13.746 1.00 0.00 H new TER 858 TYR A 52