USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 TYR OH : rot 130:sc= -0.448 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 71:sc= 0.0189 USER MOD Single : A 13 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.8!) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0495 (180deg=-0.516) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0.486 K(o=0.49,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= -0.358 (180deg=-0.541) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.0258 (180deg=-0.412) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.790 4.788 14.866 1.00 0.00 N ATOM 2 CA GLY A 1 -37.048 6.079 14.934 1.00 0.00 C ATOM 3 C GLY A 1 -35.562 5.824 14.709 1.00 0.00 C ATOM 4 O GLY A 1 -35.105 4.682 14.750 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.274 4.714 13.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.122 3.998 14.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.493 4.751 15.632 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.428 6.769 14.180 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.204 6.550 15.905 1.00 0.00 H new ATOM 10 N SER A 2 -34.812 6.896 14.471 1.00 0.00 N ATOM 11 CA SER A 2 -33.377 6.776 14.242 1.00 0.00 C ATOM 12 C SER A 2 -32.682 6.228 15.484 1.00 0.00 C ATOM 13 O SER A 2 -31.601 5.646 15.395 1.00 0.00 O ATOM 14 CB SER A 2 -32.789 8.142 13.887 1.00 0.00 C ATOM 15 OG SER A 2 -32.931 9.017 14.998 1.00 0.00 O ATOM 0 H SER A 2 -35.171 7.850 14.432 1.00 0.00 H new ATOM 0 HA SER A 2 -33.216 6.086 13.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.737 8.040 13.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.299 8.555 13.016 1.00 0.00 H new ATOM 0 HG SER A 2 -32.553 9.893 14.775 1.00 0.00 H new ATOM 21 N VAL A 3 -33.312 6.414 16.639 1.00 0.00 N ATOM 22 CA VAL A 3 -32.744 5.925 17.893 1.00 0.00 C ATOM 23 C VAL A 3 -32.646 4.398 17.872 1.00 0.00 C ATOM 24 O VAL A 3 -31.662 3.828 18.345 1.00 0.00 O ATOM 25 CB VAL A 3 -33.571 6.405 19.105 1.00 0.00 C ATOM 26 CG1 VAL A 3 -33.100 5.683 20.372 1.00 0.00 C ATOM 27 CG2 VAL A 3 -33.377 7.914 19.300 1.00 0.00 C ATOM 0 H VAL A 3 -34.207 6.894 16.735 1.00 0.00 H new ATOM 0 HA VAL A 3 -31.740 6.336 17.995 1.00 0.00 H new ATOM 0 HB VAL A 3 -34.623 6.186 18.922 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -33.686 6.025 21.225 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -33.232 4.608 20.249 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -32.046 5.902 20.545 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -33.962 8.248 20.156 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -32.322 8.125 19.477 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -33.708 8.442 18.406 1.00 0.00 H new ATOM 37 N GLU A 4 -33.665 3.737 17.324 1.00 0.00 N ATOM 38 CA GLU A 4 -33.663 2.279 17.258 1.00 0.00 C ATOM 39 C GLU A 4 -32.501 1.780 16.399 1.00 0.00 C ATOM 40 O GLU A 4 -31.897 0.750 16.702 1.00 0.00 O ATOM 41 CB GLU A 4 -34.997 1.751 16.707 1.00 0.00 C ATOM 42 CG GLU A 4 -36.099 1.981 17.744 1.00 0.00 C ATOM 43 CD GLU A 4 -37.457 1.624 17.148 1.00 0.00 C ATOM 44 OE1 GLU A 4 -37.525 1.444 15.945 1.00 0.00 O ATOM 45 OE2 GLU A 4 -38.408 1.533 17.907 1.00 0.00 O1- ATOM 0 H GLU A 4 -34.491 4.182 16.925 1.00 0.00 H new ATOM 0 HA GLU A 4 -33.536 1.898 18.271 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -35.246 2.260 15.776 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -34.914 0.689 16.477 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -35.910 1.374 18.629 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -36.096 3.022 18.066 1.00 0.00 H new ATOM 52 N LYS A 5 -32.188 2.509 15.326 1.00 0.00 N ATOM 53 CA LYS A 5 -31.093 2.111 14.446 1.00 0.00 C ATOM 54 C LYS A 5 -29.771 2.110 15.208 1.00 0.00 C ATOM 55 O LYS A 5 -28.936 1.226 15.021 1.00 0.00 O ATOM 56 CB LYS A 5 -30.992 3.066 13.252 1.00 0.00 C ATOM 57 CG LYS A 5 -32.201 2.869 12.337 1.00 0.00 C ATOM 58 CD LYS A 5 -32.103 3.823 11.145 1.00 0.00 C ATOM 59 CE LYS A 5 -33.309 3.621 10.227 1.00 0.00 C ATOM 60 NZ LYS A 5 -33.216 4.555 9.070 1.00 0.00 N1+ ATOM 0 H LYS A 5 -32.670 3.365 15.050 1.00 0.00 H new ATOM 0 HA LYS A 5 -31.298 1.104 14.083 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -30.951 4.098 13.601 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -30.071 2.879 12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -32.241 1.837 11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -33.122 3.055 12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -32.068 4.855 11.494 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -31.180 3.641 10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -33.342 2.590 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -34.233 3.799 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -34.036 4.417 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -33.205 5.536 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -32.342 4.365 8.540 1.00 0.00 H new ATOM 74 N LEU A 6 -29.592 3.104 16.073 1.00 0.00 N ATOM 75 CA LEU A 6 -28.364 3.199 16.863 1.00 0.00 C ATOM 76 C LEU A 6 -28.278 2.009 17.820 1.00 0.00 C ATOM 77 O LEU A 6 -27.197 1.489 18.083 1.00 0.00 O ATOM 78 CB LEU A 6 -28.315 4.534 17.643 1.00 0.00 C ATOM 79 CG LEU A 6 -26.868 4.874 18.057 1.00 0.00 C ATOM 80 CD1 LEU A 6 -26.819 6.331 18.529 1.00 0.00 C ATOM 81 CD2 LEU A 6 -26.374 3.933 19.187 1.00 0.00 C ATOM 0 H LEU A 6 -30.270 3.847 16.245 1.00 0.00 H new ATOM 0 HA LEU A 6 -27.507 3.176 16.190 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -28.719 5.336 17.026 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -28.945 4.466 18.530 1.00 0.00 H new ATOM 0 HG LEU A 6 -26.211 4.735 17.198 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -25.801 6.584 18.825 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -27.135 6.987 17.718 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -27.487 6.460 19.381 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.352 4.196 19.458 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -27.020 4.041 20.058 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -26.403 2.900 18.839 1.00 0.00 H new ATOM 93 N THR A 7 -29.426 1.571 18.333 1.00 0.00 N ATOM 94 CA THR A 7 -29.452 0.437 19.248 1.00 0.00 C ATOM 95 C THR A 7 -29.018 -0.848 18.542 1.00 0.00 C ATOM 96 O THR A 7 -28.283 -1.655 19.111 1.00 0.00 O ATOM 97 CB THR A 7 -30.852 0.263 19.841 1.00 0.00 C ATOM 98 OG1 THR A 7 -31.205 1.432 20.567 1.00 0.00 O ATOM 99 CG2 THR A 7 -30.865 -0.947 20.777 1.00 0.00 C ATOM 0 H THR A 7 -30.339 1.980 18.133 1.00 0.00 H new ATOM 0 HA THR A 7 -28.747 0.639 20.055 1.00 0.00 H new ATOM 0 HB THR A 7 -31.571 0.104 19.037 1.00 0.00 H new ATOM 0 HG1 THR A 7 -31.365 2.170 19.942 1.00 0.00 H new ATOM 0 HG21 THR A 7 -31.863 -1.070 21.199 1.00 0.00 H new ATOM 0 HG22 THR A 7 -30.595 -1.843 20.218 1.00 0.00 H new ATOM 0 HG23 THR A 7 -30.147 -0.792 21.582 1.00 0.00 H new ATOM 107 N ALA A 8 -29.473 -1.039 17.302 1.00 0.00 N ATOM 108 CA ALA A 8 -29.109 -2.238 16.550 1.00 0.00 C ATOM 109 C ALA A 8 -27.643 -2.179 16.153 1.00 0.00 C ATOM 110 O ALA A 8 -27.026 -3.203 15.866 1.00 0.00 O ATOM 111 CB ALA A 8 -29.982 -2.385 15.295 1.00 0.00 C ATOM 0 H ALA A 8 -30.084 -0.390 16.805 1.00 0.00 H new ATOM 0 HA ALA A 8 -29.276 -3.105 17.190 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.691 -3.285 14.753 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -31.029 -2.460 15.587 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.846 -1.515 14.653 1.00 0.00 H new ATOM 117 N ASP A 9 -27.093 -0.972 16.136 1.00 0.00 N ATOM 118 CA ASP A 9 -25.687 -0.790 15.768 1.00 0.00 C ATOM 119 C ASP A 9 -24.771 -1.272 16.891 1.00 0.00 C ATOM 120 O ASP A 9 -23.579 -1.494 16.683 1.00 0.00 O ATOM 121 CB ASP A 9 -25.391 0.684 15.461 1.00 0.00 C ATOM 122 CG ASP A 9 -26.072 1.091 14.160 1.00 0.00 C ATOM 123 OD1 ASP A 9 -26.498 0.208 13.435 1.00 0.00 O ATOM 124 OD2 ASP A 9 -26.160 2.282 13.908 1.00 0.00 O1- ATOM 0 H ASP A 9 -27.588 -0.111 16.369 1.00 0.00 H new ATOM 0 HA ASP A 9 -25.497 -1.383 14.873 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.744 1.313 16.278 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.315 0.839 15.382 1.00 0.00 H new ATOM 129 N ALA A 10 -25.339 -1.416 18.083 1.00 0.00 N ATOM 130 CA ALA A 10 -24.566 -1.858 19.247 1.00 0.00 C ATOM 131 C ALA A 10 -23.961 -3.250 19.030 1.00 0.00 C ATOM 132 O ALA A 10 -22.862 -3.529 19.508 1.00 0.00 O ATOM 133 CB ALA A 10 -25.431 -1.858 20.520 1.00 0.00 C ATOM 0 H ALA A 10 -26.325 -1.236 18.272 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.750 -1.146 19.375 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -24.831 -2.190 21.367 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -25.800 -0.850 20.709 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.276 -2.534 20.386 1.00 0.00 H new ATOM 139 N GLU A 11 -24.683 -4.133 18.335 1.00 0.00 N ATOM 140 CA GLU A 11 -24.180 -5.492 18.111 1.00 0.00 C ATOM 141 C GLU A 11 -22.834 -5.465 17.390 1.00 0.00 C ATOM 142 O GLU A 11 -22.029 -6.385 17.532 1.00 0.00 O ATOM 143 CB GLU A 11 -25.184 -6.321 17.290 1.00 0.00 C ATOM 144 CG GLU A 11 -25.204 -5.848 15.829 1.00 0.00 C ATOM 145 CD GLU A 11 -26.368 -6.498 15.091 1.00 0.00 C ATOM 146 OE1 GLU A 11 -27.107 -7.238 15.722 1.00 0.00 O ATOM 147 OE2 GLU A 11 -26.507 -6.248 13.904 1.00 0.00 O1- ATOM 0 H GLU A 11 -25.597 -3.939 17.926 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.049 -5.957 19.088 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -24.915 -7.376 17.333 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -26.180 -6.228 17.722 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -25.297 -4.763 15.790 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -24.264 -6.105 15.341 1.00 0.00 H new ATOM 154 N LEU A 12 -22.589 -4.404 16.630 1.00 0.00 N ATOM 155 CA LEU A 12 -21.324 -4.277 15.908 1.00 0.00 C ATOM 156 C LEU A 12 -20.161 -4.175 16.896 1.00 0.00 C ATOM 157 O LEU A 12 -19.078 -4.704 16.645 1.00 0.00 O ATOM 158 CB LEU A 12 -21.332 -3.055 14.967 1.00 0.00 C ATOM 159 CG LEU A 12 -22.290 -3.291 13.785 1.00 0.00 C ATOM 160 CD1 LEU A 12 -22.449 -1.981 13.007 1.00 0.00 C ATOM 161 CD2 LEU A 12 -21.737 -4.385 12.846 1.00 0.00 C ATOM 0 H LEU A 12 -23.238 -3.628 16.497 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.197 -5.170 15.296 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.638 -2.166 15.519 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.325 -2.869 14.595 1.00 0.00 H new ATOM 0 HG LEU A 12 -23.255 -3.621 14.169 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.126 -2.137 12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.858 -1.214 13.665 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.477 -1.659 12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.429 -4.537 12.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.767 -4.075 12.457 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.624 -5.317 13.400 1.00 0.00 H new ATOM 173 N GLN A 13 -20.391 -3.498 18.022 1.00 0.00 N ATOM 174 CA GLN A 13 -19.350 -3.347 19.037 1.00 0.00 C ATOM 175 C GLN A 13 -18.975 -4.704 19.631 1.00 0.00 C ATOM 176 O GLN A 13 -17.813 -4.940 19.965 1.00 0.00 O ATOM 177 CB GLN A 13 -19.792 -2.382 20.152 1.00 0.00 C ATOM 178 CG GLN A 13 -19.833 -0.948 19.611 1.00 0.00 C ATOM 179 CD GLN A 13 -20.469 -0.022 20.642 1.00 0.00 C ATOM 180 OE1 GLN A 13 -21.313 -0.452 21.427 1.00 0.00 O ATOM 181 NE2 GLN A 13 -20.111 1.232 20.686 1.00 0.00 N ATOM 0 H GLN A 13 -21.278 -3.051 18.252 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.472 -2.923 18.550 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -20.776 -2.668 20.525 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.102 -2.443 20.994 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.824 -0.609 19.379 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -20.402 -0.917 18.682 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.411 1.586 20.034 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.531 1.859 21.373 1.00 0.00 H new ATOM 190 N ARG A 14 -19.958 -5.592 19.765 1.00 0.00 N ATOM 191 CA ARG A 14 -19.702 -6.916 20.327 1.00 0.00 C ATOM 192 C ARG A 14 -18.670 -7.669 19.486 1.00 0.00 C ATOM 193 O ARG A 14 -17.821 -8.377 20.028 1.00 0.00 O ATOM 194 CB ARG A 14 -21.005 -7.732 20.441 1.00 0.00 C ATOM 195 CG ARG A 14 -20.701 -9.102 21.051 1.00 0.00 C ATOM 196 CD ARG A 14 -22.011 -9.859 21.274 1.00 0.00 C ATOM 197 NE ARG A 14 -21.742 -11.193 21.795 1.00 0.00 N ATOM 198 CZ ARG A 14 -22.735 -12.011 22.131 1.00 0.00 C ATOM 199 NH1 ARG A 14 -22.471 -13.203 22.591 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -23.973 -11.621 22.000 1.00 0.00 N ATOM 0 H ARG A 14 -20.927 -5.422 19.496 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.299 -6.781 21.331 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.727 -7.199 21.060 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.457 -7.853 19.457 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.048 -9.670 20.389 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -20.171 -8.982 21.996 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.642 -9.309 21.972 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -22.561 -9.932 20.336 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.777 -11.504 21.904 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -21.503 -13.507 22.693 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -23.233 -13.830 22.849 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -24.179 -10.689 21.640 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -24.735 -12.248 22.258 1.00 0.00 H new ATOM 214 N LEU A 15 -18.737 -7.513 18.164 1.00 0.00 N ATOM 215 CA LEU A 15 -17.788 -8.188 17.283 1.00 0.00 C ATOM 216 C LEU A 15 -16.367 -7.691 17.556 1.00 0.00 C ATOM 217 O LEU A 15 -15.409 -8.454 17.464 1.00 0.00 O ATOM 218 CB LEU A 15 -18.154 -7.966 15.804 1.00 0.00 C ATOM 219 CG LEU A 15 -19.464 -8.694 15.465 1.00 0.00 C ATOM 220 CD1 LEU A 15 -19.917 -8.277 14.063 1.00 0.00 C ATOM 221 CD2 LEU A 15 -19.267 -10.224 15.511 1.00 0.00 C ATOM 0 H LEU A 15 -19.428 -6.934 17.686 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.835 -9.257 17.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.260 -6.900 15.604 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.351 -8.332 15.164 1.00 0.00 H new ATOM 0 HG LEU A 15 -20.221 -8.423 16.201 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -20.846 -8.789 13.814 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -20.078 -7.199 14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.149 -8.546 13.338 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.207 -10.719 15.268 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.506 -10.515 14.787 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.949 -10.520 16.511 1.00 0.00 H new ATOM 233 N LYS A 16 -16.239 -6.409 17.891 1.00 0.00 N ATOM 234 CA LYS A 16 -14.926 -5.825 18.176 1.00 0.00 C ATOM 235 C LYS A 16 -14.267 -6.518 19.373 1.00 0.00 C ATOM 236 O LYS A 16 -13.049 -6.686 19.404 1.00 0.00 O ATOM 237 CB LYS A 16 -15.038 -4.308 18.429 1.00 0.00 C ATOM 238 CG LYS A 16 -13.646 -3.721 18.685 1.00 0.00 C ATOM 239 CD LYS A 16 -13.761 -2.209 18.894 1.00 0.00 C ATOM 240 CE LYS A 16 -12.374 -1.622 19.160 1.00 0.00 C ATOM 241 NZ LYS A 16 -12.487 -0.149 19.353 1.00 0.00 N1+ ATOM 0 H LYS A 16 -17.020 -5.758 17.972 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.297 -5.980 17.299 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.496 -3.819 17.569 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.685 -4.120 19.285 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.199 -4.187 19.563 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.989 -3.934 17.842 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.202 -1.742 18.013 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.424 -1.997 19.733 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.936 -2.083 20.045 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.709 -1.840 18.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.544 0.251 19.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.888 0.284 18.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.108 0.048 20.164 1.00 0.00 H new ATOM 255 N ASN A 17 -15.074 -6.901 20.368 1.00 0.00 N ATOM 256 CA ASN A 17 -14.545 -7.554 21.574 1.00 0.00 C ATOM 257 C ASN A 17 -14.643 -9.074 21.463 1.00 0.00 C ATOM 258 O ASN A 17 -14.518 -9.784 22.461 1.00 0.00 O ATOM 259 CB ASN A 17 -15.322 -7.085 22.808 1.00 0.00 C ATOM 260 CG ASN A 17 -14.999 -5.624 23.103 1.00 0.00 C ATOM 261 OD1 ASN A 17 -13.966 -5.115 22.668 1.00 0.00 O ATOM 262 ND2 ASN A 17 -15.828 -4.914 23.818 1.00 0.00 N ATOM 0 H ASN A 17 -16.086 -6.773 20.365 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.495 -7.278 21.673 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -16.393 -7.203 22.640 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -15.064 -7.704 23.667 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.621 -3.935 24.017 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -16.683 -5.338 24.178 1.00 0.00 H new ATOM 269 N GLU A 18 -14.866 -9.567 20.250 1.00 0.00 N ATOM 270 CA GLU A 18 -14.978 -11.009 20.034 1.00 0.00 C ATOM 271 C GLU A 18 -13.691 -11.711 20.457 1.00 0.00 C ATOM 272 O GLU A 18 -13.677 -12.923 20.677 1.00 0.00 O ATOM 273 CB GLU A 18 -15.263 -11.304 18.556 1.00 0.00 C ATOM 274 CG GLU A 18 -14.036 -10.957 17.707 1.00 0.00 C ATOM 275 CD GLU A 18 -14.392 -11.022 16.225 1.00 0.00 C ATOM 276 OE1 GLU A 18 -15.545 -11.292 15.925 1.00 0.00 O ATOM 277 OE2 GLU A 18 -13.511 -10.804 15.412 1.00 0.00 O1- ATOM 0 H GLU A 18 -14.972 -9.000 19.409 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.803 -11.384 20.639 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.518 -12.356 18.429 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.123 -10.725 18.220 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.679 -9.959 17.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.224 -11.651 17.925 1.00 0.00 H new ATOM 284 N ALA A 19 -12.611 -10.943 20.564 1.00 0.00 N ATOM 285 CA ALA A 19 -11.318 -11.506 20.958 1.00 0.00 C ATOM 286 C ALA A 19 -11.401 -12.106 22.359 1.00 0.00 C ATOM 287 O ALA A 19 -10.605 -12.975 22.715 1.00 0.00 O ATOM 288 CB ALA A 19 -10.219 -10.435 20.921 1.00 0.00 C ATOM 0 H ALA A 19 -12.601 -9.939 20.386 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.066 -12.292 20.246 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.269 -10.879 21.218 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.133 -10.036 19.910 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.474 -9.629 21.609 1.00 0.00 H new ATOM 294 N ALA A 20 -12.362 -11.641 23.149 1.00 0.00 N ATOM 295 CA ALA A 20 -12.526 -12.150 24.510 1.00 0.00 C ATOM 296 C ALA A 20 -12.833 -13.645 24.483 1.00 0.00 C ATOM 297 O ALA A 20 -12.545 -14.363 25.439 1.00 0.00 O ATOM 298 CB ALA A 20 -13.648 -11.401 25.249 1.00 0.00 C ATOM 0 H ALA A 20 -13.033 -10.922 22.878 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.591 -11.985 25.045 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.748 -11.800 26.258 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.404 -10.340 25.301 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.588 -11.532 24.712 1.00 0.00 H new ATOM 304 N GLU A 21 -13.416 -14.110 23.380 1.00 0.00 N ATOM 305 CA GLU A 21 -13.752 -15.526 23.246 1.00 0.00 C ATOM 306 C GLU A 21 -12.486 -16.386 23.277 1.00 0.00 C ATOM 307 O GLU A 21 -12.497 -17.495 23.808 1.00 0.00 O ATOM 308 CB GLU A 21 -14.538 -15.781 21.949 1.00 0.00 C ATOM 309 CG GLU A 21 -15.934 -15.168 22.073 1.00 0.00 C ATOM 310 CD GLU A 21 -16.662 -15.254 20.735 1.00 0.00 C ATOM 311 OE1 GLU A 21 -16.011 -15.553 19.748 1.00 0.00 O ATOM 312 OE2 GLU A 21 -17.858 -15.016 20.719 1.00 0.00 O1- ATOM 0 H GLU A 21 -13.663 -13.535 22.575 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.382 -15.805 24.091 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.011 -15.345 21.100 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.614 -16.852 21.761 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.503 -15.692 22.841 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.857 -14.127 22.388 1.00 0.00 H new ATOM 319 N GLU A 22 -11.401 -15.873 22.697 1.00 0.00 N ATOM 320 CA GLU A 22 -10.142 -16.615 22.662 1.00 0.00 C ATOM 321 C GLU A 22 -9.553 -16.768 24.064 1.00 0.00 C ATOM 322 O GLU A 22 -8.800 -17.706 24.328 1.00 0.00 O ATOM 323 CB GLU A 22 -9.130 -15.907 21.753 1.00 0.00 C ATOM 324 CG GLU A 22 -9.652 -15.899 20.315 1.00 0.00 C ATOM 325 CD GLU A 22 -9.662 -17.319 19.757 1.00 0.00 C ATOM 326 OE1 GLU A 22 -8.984 -18.161 20.322 1.00 0.00 O ATOM 327 OE2 GLU A 22 -10.348 -17.543 18.772 1.00 0.00 O1- ATOM 0 H GLU A 22 -11.368 -14.957 22.250 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.352 -17.608 22.264 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.968 -14.886 22.098 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.167 -16.415 21.798 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.658 -15.481 20.287 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.024 -15.260 19.695 1.00 0.00 H new ATOM 334 N ALA A 23 -9.887 -15.842 24.959 1.00 0.00 N ATOM 335 CA ALA A 23 -9.365 -15.898 26.324 1.00 0.00 C ATOM 336 C ALA A 23 -9.801 -17.189 27.023 1.00 0.00 C ATOM 337 O ALA A 23 -9.033 -17.772 27.788 1.00 0.00 O ATOM 338 CB ALA A 23 -9.806 -14.674 27.149 1.00 0.00 C ATOM 0 H ALA A 23 -10.507 -15.055 24.770 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.277 -15.886 26.255 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.400 -14.750 28.158 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.436 -13.764 26.676 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.894 -14.641 27.198 1.00 0.00 H new ATOM 344 N GLU A 24 -11.028 -17.637 26.757 1.00 0.00 N ATOM 345 CA GLU A 24 -11.527 -18.863 27.376 1.00 0.00 C ATOM 346 C GLU A 24 -10.683 -20.062 26.938 1.00 0.00 C ATOM 347 O GLU A 24 -10.441 -20.976 27.726 1.00 0.00 O ATOM 348 CB GLU A 24 -13.008 -19.096 27.022 1.00 0.00 C ATOM 349 CG GLU A 24 -13.888 -18.047 27.720 1.00 0.00 C ATOM 350 CD GLU A 24 -13.854 -16.730 26.949 1.00 0.00 C ATOM 351 OE1 GLU A 24 -13.205 -16.687 25.917 1.00 0.00 O ATOM 352 OE2 GLU A 24 -14.478 -15.786 27.402 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.685 -17.177 26.127 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.448 -18.753 28.458 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.146 -19.037 25.942 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.310 -20.098 27.328 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.914 -18.410 27.788 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.537 -17.889 28.740 1.00 0.00 H new ATOM 359 N LEU A 25 -10.234 -20.053 25.684 1.00 0.00 N ATOM 360 CA LEU A 25 -9.413 -21.150 25.171 1.00 0.00 C ATOM 361 C LEU A 25 -8.107 -21.254 25.961 1.00 0.00 C ATOM 362 O LEU A 25 -7.624 -22.354 26.230 1.00 0.00 O ATOM 363 CB LEU A 25 -9.131 -20.975 23.662 1.00 0.00 C ATOM 364 CG LEU A 25 -8.266 -22.132 23.139 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.996 -23.473 23.333 1.00 0.00 C ATOM 366 CD2 LEU A 25 -7.991 -21.907 21.647 1.00 0.00 C ATOM 0 H LEU A 25 -10.421 -19.309 25.012 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.968 -22.079 25.299 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.071 -20.939 23.112 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.623 -20.026 23.488 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.328 -22.163 23.693 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.372 -24.284 22.958 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.195 -23.629 24.393 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.938 -23.457 22.785 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.377 -22.722 21.263 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.935 -21.877 21.103 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.465 -20.962 21.513 1.00 0.00 H new ATOM 378 N GLU A 26 -7.537 -20.107 26.328 1.00 0.00 N ATOM 379 CA GLU A 26 -6.286 -20.093 27.082 1.00 0.00 C ATOM 380 C GLU A 26 -6.460 -20.785 28.435 1.00 0.00 C ATOM 381 O GLU A 26 -5.525 -21.401 28.948 1.00 0.00 O ATOM 382 CB GLU A 26 -5.791 -18.652 27.289 1.00 0.00 C ATOM 383 CG GLU A 26 -5.323 -18.079 25.951 1.00 0.00 C ATOM 384 CD GLU A 26 -4.990 -16.599 26.106 1.00 0.00 C ATOM 385 OE1 GLU A 26 -5.335 -16.039 27.134 1.00 0.00 O ATOM 386 OE2 GLU A 26 -4.393 -16.048 25.196 1.00 0.00 O1- ATOM 0 H GLU A 26 -7.918 -19.184 26.118 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.541 -20.639 26.504 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.591 -18.037 27.701 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.973 -18.637 28.010 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.446 -18.623 25.600 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.101 -18.208 25.198 1.00 0.00 H new ATOM 393 N ARG A 27 -7.655 -20.679 29.013 1.00 0.00 N ATOM 394 CA ARG A 27 -7.918 -21.301 30.309 1.00 0.00 C ATOM 395 C ARG A 27 -7.710 -22.816 30.232 1.00 0.00 C ATOM 396 O ARG A 27 -7.202 -23.422 31.176 1.00 0.00 O ATOM 397 CB ARG A 27 -9.342 -20.975 30.804 1.00 0.00 C ATOM 398 CG ARG A 27 -9.567 -21.613 32.178 1.00 0.00 C ATOM 399 CD ARG A 27 -10.946 -21.212 32.705 1.00 0.00 C ATOM 400 NE ARG A 27 -11.991 -21.725 31.827 1.00 0.00 N ATOM 401 CZ ARG A 27 -12.413 -22.981 31.918 1.00 0.00 C ATOM 402 NH1 ARG A 27 -13.349 -23.416 31.120 1.00 0.00 N1+ ATOM 403 NH2 ARG A 27 -11.890 -23.783 32.808 1.00 0.00 N ATOM 0 H ARG A 27 -8.446 -20.176 28.612 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.209 -20.890 31.028 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.478 -19.895 30.867 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.079 -21.348 30.093 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.496 -22.698 32.103 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.792 -21.289 32.873 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.085 -21.602 33.713 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.017 -20.126 32.770 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.406 -21.107 31.129 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.758 -22.791 30.425 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.672 -24.381 31.191 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.158 -23.444 33.432 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.214 -24.748 32.878 1.00 0.00 H new ATOM 417 N LEU A 28 -8.100 -23.428 29.114 1.00 0.00 N ATOM 418 CA LEU A 28 -7.936 -24.872 28.957 1.00 0.00 C ATOM 419 C LEU A 28 -6.456 -25.252 29.008 1.00 0.00 C ATOM 420 O LEU A 28 -6.097 -26.293 29.559 1.00 0.00 O ATOM 421 CB LEU A 28 -8.566 -25.369 27.643 1.00 0.00 C ATOM 422 CG LEU A 28 -10.095 -25.368 27.765 1.00 0.00 C ATOM 423 CD1 LEU A 28 -10.604 -23.934 27.961 1.00 0.00 C ATOM 424 CD2 LEU A 28 -10.700 -25.960 26.490 1.00 0.00 C ATOM 0 H LEU A 28 -8.525 -22.956 28.316 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.455 -25.356 29.785 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.258 -24.729 26.817 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.211 -26.374 27.417 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.391 -25.968 28.626 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.691 -23.942 28.047 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.171 -23.515 28.870 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.312 -23.324 27.106 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.787 -25.962 26.570 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.401 -25.358 25.632 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.344 -26.982 26.359 1.00 0.00 H new ATOM 436 N LYS A 29 -5.599 -24.407 28.436 1.00 0.00 N ATOM 437 CA LYS A 29 -4.163 -24.684 28.436 1.00 0.00 C ATOM 438 C LYS A 29 -3.633 -24.750 29.870 1.00 0.00 C ATOM 439 O LYS A 29 -2.775 -25.577 30.180 1.00 0.00 O ATOM 440 CB LYS A 29 -3.389 -23.628 27.620 1.00 0.00 C ATOM 441 CG LYS A 29 -1.898 -23.978 27.609 1.00 0.00 C ATOM 442 CD LYS A 29 -1.140 -22.959 26.757 1.00 0.00 C ATOM 443 CE LYS A 29 0.345 -23.322 26.727 1.00 0.00 C ATOM 444 NZ LYS A 29 0.906 -23.241 28.105 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.868 -23.538 27.974 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.007 -25.652 27.960 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.771 -23.590 26.600 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.537 -22.639 28.053 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.507 -23.980 28.626 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.752 -24.982 27.210 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.542 -22.945 25.744 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.272 -21.957 27.166 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.476 -24.328 26.328 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.882 -22.644 26.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.941 -23.150 28.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.509 -22.413 28.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.660 -24.104 28.631 1.00 0.00 H new ATOM 458 N SER A 30 -4.144 -23.882 30.743 1.00 0.00 N ATOM 459 CA SER A 30 -3.703 -23.867 32.133 1.00 0.00 C ATOM 460 C SER A 30 -4.011 -25.202 32.811 1.00 0.00 C ATOM 461 O SER A 30 -3.232 -25.678 33.636 1.00 0.00 O ATOM 462 CB SER A 30 -4.361 -22.713 32.903 1.00 0.00 C ATOM 463 OG SER A 30 -3.896 -21.476 32.378 1.00 0.00 O ATOM 0 H SER A 30 -4.856 -23.188 30.514 1.00 0.00 H new ATOM 0 HA SER A 30 -2.624 -23.714 32.142 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.446 -22.774 32.816 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.122 -22.785 33.964 1.00 0.00 H new ATOM 0 HG SER A 30 -4.315 -20.736 32.865 1.00 0.00 H new ATOM 469 N GLU A 31 -5.149 -25.805 32.465 1.00 0.00 N ATOM 470 CA GLU A 31 -5.532 -27.082 33.062 1.00 0.00 C ATOM 471 C GLU A 31 -4.509 -28.168 32.720 1.00 0.00 C ATOM 472 O GLU A 31 -4.216 -29.031 33.546 1.00 0.00 O ATOM 473 CB GLU A 31 -6.932 -27.508 32.592 1.00 0.00 C ATOM 474 CG GLU A 31 -7.979 -26.583 33.215 1.00 0.00 C ATOM 475 CD GLU A 31 -9.354 -26.881 32.628 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.413 -27.600 31.644 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.328 -26.385 33.171 1.00 0.00 O1- ATOM 0 H GLU A 31 -5.812 -25.435 31.784 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.555 -26.952 34.144 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.992 -27.463 31.505 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.126 -28.541 32.880 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.999 -26.719 34.296 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.713 -25.542 33.030 1.00 0.00 H new ATOM 484 N ARG A 32 -3.966 -28.125 31.503 1.00 0.00 N ATOM 485 CA ARG A 32 -2.979 -29.122 31.088 1.00 0.00 C ATOM 486 C ARG A 32 -3.479 -30.527 31.413 1.00 0.00 C ATOM 487 O ARG A 32 -2.812 -31.292 32.109 1.00 0.00 O ATOM 488 CB ARG A 32 -1.651 -28.870 31.808 1.00 0.00 C ATOM 489 CG ARG A 32 -0.534 -29.672 31.131 1.00 0.00 C ATOM 490 CD ARG A 32 0.811 -29.301 31.755 1.00 0.00 C ATOM 491 NE ARG A 32 1.109 -27.894 31.521 1.00 0.00 N ATOM 492 CZ ARG A 32 2.179 -27.320 32.058 1.00 0.00 C ATOM 493 NH1 ARG A 32 2.423 -26.057 31.837 1.00 0.00 N1+ ATOM 494 NH2 ARG A 32 2.988 -28.019 32.806 1.00 0.00 N ATOM 0 H ARG A 32 -4.188 -27.423 30.797 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.829 -29.039 30.012 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.412 -27.807 31.788 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.734 -29.158 32.856 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.718 -30.740 31.246 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.520 -29.464 30.061 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.790 -29.501 32.826 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.600 -29.922 31.330 1.00 0.00 H new ATOM 0 HE ARG A 32 0.485 -27.340 30.934 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.791 -25.510 31.251 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.245 -25.617 32.250 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.798 -29.006 32.978 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.810 -27.578 33.219 1.00 0.00 H new ATOM 508 N HIS A 33 -4.664 -30.856 30.911 1.00 0.00 N ATOM 509 CA HIS A 33 -5.243 -32.175 31.162 1.00 0.00 C ATOM 510 C HIS A 33 -4.336 -33.272 30.612 1.00 0.00 C ATOM 511 O HIS A 33 -4.043 -34.249 31.301 1.00 0.00 O ATOM 512 CB HIS A 33 -6.630 -32.288 30.514 1.00 0.00 C ATOM 513 CG HIS A 33 -7.178 -33.671 30.745 1.00 0.00 C ATOM 514 ND1 HIS A 33 -7.623 -34.091 31.989 1.00 0.00 N ATOM 515 CD2 HIS A 33 -7.358 -34.737 29.901 1.00 0.00 C ATOM 516 CE1 HIS A 33 -8.045 -35.363 31.859 1.00 0.00 C ATOM 517 NE2 HIS A 33 -7.906 -35.806 30.607 1.00 0.00 N ATOM 0 H HIS A 33 -5.237 -30.239 30.336 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.341 -32.299 32.240 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.303 -31.543 30.937 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.562 -32.086 29.445 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.112 -34.746 28.849 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.447 -35.953 32.669 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.149 -36.728 30.245 1.00 0.00 H new ATOM 525 N ASP A 34 -3.898 -33.107 29.368 1.00 0.00 N ATOM 526 CA ASP A 34 -3.027 -34.100 28.740 1.00 0.00 C ATOM 527 C ASP A 34 -1.683 -34.169 29.461 1.00 0.00 C ATOM 528 O ASP A 34 -1.095 -33.141 29.800 1.00 0.00 O ATOM 529 CB ASP A 34 -2.796 -33.751 27.266 1.00 0.00 C ATOM 530 CG ASP A 34 -4.077 -33.979 26.470 1.00 0.00 C ATOM 531 OD1 ASP A 34 -4.973 -34.616 26.997 1.00 0.00 O ATOM 532 OD2 ASP A 34 -4.142 -33.515 25.344 1.00 0.00 O1- ATOM 0 H ASP A 34 -4.127 -32.306 28.779 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.518 -35.071 28.808 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.481 -32.711 27.175 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.992 -34.364 26.860 1.00 0.00 H new ATOM 537 N HIS A 35 -1.201 -35.389 29.684 1.00 0.00 N ATOM 538 CA HIS A 35 0.080 -35.597 30.361 1.00 0.00 C ATOM 539 C HIS A 35 1.223 -35.683 29.351 1.00 0.00 C ATOM 540 O HIS A 35 2.395 -35.727 29.729 1.00 0.00 O ATOM 541 CB HIS A 35 0.029 -36.888 31.179 1.00 0.00 C ATOM 542 CG HIS A 35 -0.198 -38.056 30.259 1.00 0.00 C ATOM 543 ND1 HIS A 35 -1.446 -38.352 29.732 1.00 0.00 N ATOM 544 CD2 HIS A 35 0.655 -39.011 29.761 1.00 0.00 C ATOM 545 CE1 HIS A 35 -1.311 -39.444 28.957 1.00 0.00 C ATOM 546 NE2 HIS A 35 -0.050 -39.886 28.940 1.00 0.00 N ATOM 0 H HIS A 35 -1.676 -36.248 29.407 1.00 0.00 H new ATOM 0 HA HIS A 35 0.260 -34.748 31.020 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.961 -37.020 31.728 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.771 -36.832 31.917 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.712 -39.073 29.974 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.123 -39.907 28.415 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.317 -40.692 28.434 1.00 0.00 H new ATOM 554 N ASP A 36 0.877 -35.728 28.065 1.00 0.00 N ATOM 555 CA ASP A 36 1.885 -35.832 27.010 1.00 0.00 C ATOM 556 C ASP A 36 2.408 -34.458 26.599 1.00 0.00 C ATOM 557 O ASP A 36 3.205 -34.344 25.667 1.00 0.00 O ATOM 558 CB ASP A 36 1.286 -36.534 25.788 1.00 0.00 C ATOM 559 CG ASP A 36 0.193 -35.671 25.164 1.00 0.00 C ATOM 560 OD1 ASP A 36 -0.017 -34.572 25.649 1.00 0.00 O ATOM 561 OD2 ASP A 36 -0.416 -36.123 24.209 1.00 0.00 O1- ATOM 0 H ASP A 36 -0.086 -35.694 27.730 1.00 0.00 H new ATOM 0 HA ASP A 36 2.720 -36.413 27.402 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.067 -36.730 25.054 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.874 -37.500 26.081 1.00 0.00 H new ATOM 566 N LYS A 37 1.962 -33.417 27.294 1.00 0.00 N ATOM 567 CA LYS A 37 2.408 -32.063 26.971 1.00 0.00 C ATOM 568 C LYS A 37 3.922 -31.946 27.152 1.00 0.00 C ATOM 569 O LYS A 37 4.595 -31.278 26.366 1.00 0.00 O ATOM 570 CB LYS A 37 1.677 -31.009 27.828 1.00 0.00 C ATOM 571 CG LYS A 37 2.139 -29.607 27.418 1.00 0.00 C ATOM 572 CD LYS A 37 1.384 -28.560 28.237 1.00 0.00 C ATOM 573 CE LYS A 37 1.872 -27.164 27.853 1.00 0.00 C ATOM 574 NZ LYS A 37 1.565 -26.908 26.417 1.00 0.00 N1+ ATOM 0 H LYS A 37 1.304 -33.479 28.071 1.00 0.00 H new ATOM 0 HA LYS A 37 2.162 -31.869 25.927 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.599 -31.101 27.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.884 -31.177 28.885 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.212 -29.505 27.579 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.960 -29.450 26.354 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.312 -28.645 28.056 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.542 -28.732 29.302 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.389 -26.413 28.479 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.945 -27.081 28.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.788 -25.919 26.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.137 -27.540 25.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.556 -27.086 26.241 1.00 0.00 H new ATOM 588 N LYS A 38 4.456 -32.592 28.189 1.00 0.00 N ATOM 589 CA LYS A 38 5.892 -32.539 28.446 1.00 0.00 C ATOM 590 C LYS A 38 6.674 -33.160 27.287 1.00 0.00 C ATOM 591 O LYS A 38 7.755 -32.686 26.937 1.00 0.00 O ATOM 592 CB LYS A 38 6.238 -33.249 29.766 1.00 0.00 C ATOM 593 CG LYS A 38 5.692 -32.429 30.938 1.00 0.00 C ATOM 594 CD LYS A 38 6.028 -33.132 32.255 1.00 0.00 C ATOM 595 CE LYS A 38 5.487 -32.311 33.425 1.00 0.00 C ATOM 596 NZ LYS A 38 5.807 -33.000 34.707 1.00 0.00 N1+ ATOM 0 H LYS A 38 3.923 -33.150 28.856 1.00 0.00 H new ATOM 0 HA LYS A 38 6.179 -31.491 28.534 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.809 -34.251 29.777 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.318 -33.363 29.859 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.124 -31.428 30.928 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.613 -32.311 30.842 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.593 -34.132 32.267 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.107 -33.252 32.350 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.926 -31.313 33.417 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.409 -32.185 33.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.439 -32.441 35.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.368 -33.943 34.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.838 -33.098 34.801 1.00 0.00 H new ATOM 610 N GLU A 39 6.128 -34.221 26.692 1.00 0.00 N ATOM 611 CA GLU A 39 6.799 -34.883 25.577 1.00 0.00 C ATOM 612 C GLU A 39 6.944 -33.929 24.389 1.00 0.00 C ATOM 613 O GLU A 39 7.947 -33.966 23.679 1.00 0.00 O ATOM 614 CB GLU A 39 6.039 -36.149 25.150 1.00 0.00 C ATOM 615 CG GLU A 39 6.183 -37.218 26.236 1.00 0.00 C ATOM 616 CD GLU A 39 5.301 -38.417 25.908 1.00 0.00 C ATOM 617 OE1 GLU A 39 4.478 -38.295 25.016 1.00 0.00 O ATOM 618 OE2 GLU A 39 5.458 -39.439 26.556 1.00 0.00 O1- ATOM 0 H GLU A 39 5.235 -34.635 26.960 1.00 0.00 H new ATOM 0 HA GLU A 39 7.794 -35.176 25.913 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.986 -35.918 24.989 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.432 -36.521 24.204 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.224 -37.532 26.313 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.903 -36.804 27.205 1.00 0.00 H new ATOM 625 N ALA A 40 5.941 -33.079 24.175 1.00 0.00 N ATOM 626 CA ALA A 40 5.989 -32.130 23.063 1.00 0.00 C ATOM 627 C ALA A 40 7.181 -31.182 23.213 1.00 0.00 C ATOM 628 O ALA A 40 7.797 -30.796 22.221 1.00 0.00 O ATOM 629 CB ALA A 40 4.681 -31.324 22.954 1.00 0.00 C ATOM 0 H ALA A 40 5.098 -33.027 24.746 1.00 0.00 H new ATOM 0 HA ALA A 40 6.109 -32.706 22.145 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.751 -30.629 22.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.846 -32.006 22.790 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.519 -30.767 23.877 1.00 0.00 H new ATOM 635 N GLU A 41 7.498 -30.807 24.452 1.00 0.00 N ATOM 636 CA GLU A 41 8.619 -29.897 24.709 1.00 0.00 C ATOM 637 C GLU A 41 9.940 -30.505 24.231 1.00 0.00 C ATOM 638 O GLU A 41 10.875 -29.782 23.889 1.00 0.00 O ATOM 639 CB GLU A 41 8.715 -29.557 26.206 1.00 0.00 C ATOM 640 CG GLU A 41 9.814 -28.510 26.423 1.00 0.00 C ATOM 641 CD GLU A 41 9.876 -28.119 27.894 1.00 0.00 C ATOM 642 OE1 GLU A 41 9.101 -28.661 28.665 1.00 0.00 O ATOM 643 OE2 GLU A 41 10.698 -27.282 28.229 1.00 0.00 O1- ATOM 0 H GLU A 41 7.001 -31.115 25.288 1.00 0.00 H new ATOM 0 HA GLU A 41 8.434 -28.980 24.150 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.759 -29.176 26.565 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.936 -30.456 26.781 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.777 -28.909 26.103 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.615 -27.630 25.812 1.00 0.00 H new ATOM 650 N ARG A 42 10.016 -31.833 24.227 1.00 0.00 N ATOM 651 CA ARG A 42 11.233 -32.522 23.810 1.00 0.00 C ATOM 652 C ARG A 42 11.571 -32.204 22.352 1.00 0.00 C ATOM 653 O ARG A 42 12.686 -32.456 21.897 1.00 0.00 O ATOM 654 CB ARG A 42 11.059 -34.039 23.964 1.00 0.00 C ATOM 655 CG ARG A 42 10.767 -34.413 25.426 1.00 0.00 C ATOM 656 CD ARG A 42 12.033 -34.289 26.285 1.00 0.00 C ATOM 657 NE ARG A 42 11.797 -34.863 27.606 1.00 0.00 N ATOM 658 CZ ARG A 42 11.937 -36.167 27.828 1.00 0.00 C ATOM 659 NH1 ARG A 42 11.724 -36.653 29.020 1.00 0.00 N1+ ATOM 660 NH2 ARG A 42 12.285 -36.960 26.852 1.00 0.00 N ATOM 0 H ARG A 42 9.254 -32.450 24.506 1.00 0.00 H new ATOM 0 HA ARG A 42 12.048 -32.176 24.446 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.244 -34.382 23.327 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.962 -34.548 23.628 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.988 -33.763 25.823 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.387 -35.433 25.476 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.864 -34.802 25.800 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.317 -33.241 26.380 1.00 0.00 H new ATOM 0 HE ARG A 42 11.519 -34.252 28.374 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.450 -36.033 29.782 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.831 -37.653 29.190 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.449 -36.580 25.920 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.393 -37.960 27.021 1.00 0.00 H new ATOM 674 N LYS A 43 10.601 -31.664 21.621 1.00 0.00 N ATOM 675 CA LYS A 43 10.813 -31.333 20.211 1.00 0.00 C ATOM 676 C LYS A 43 12.003 -30.391 20.047 1.00 0.00 C ATOM 677 O LYS A 43 12.558 -30.262 18.955 1.00 0.00 O ATOM 678 CB LYS A 43 9.556 -30.675 19.623 1.00 0.00 C ATOM 679 CG LYS A 43 9.353 -29.285 20.239 1.00 0.00 C ATOM 680 CD LYS A 43 8.003 -28.722 19.786 1.00 0.00 C ATOM 681 CE LYS A 43 7.784 -27.348 20.422 1.00 0.00 C ATOM 682 NZ LYS A 43 8.806 -26.393 19.907 1.00 0.00 N1+ ATOM 0 H LYS A 43 9.669 -31.447 21.974 1.00 0.00 H new ATOM 0 HA LYS A 43 11.021 -32.260 19.676 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.652 -30.591 18.540 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.684 -31.299 19.818 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.387 -29.348 21.327 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.159 -28.618 19.933 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.977 -28.640 18.699 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.199 -29.400 20.073 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.783 -26.984 20.192 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.855 -27.422 21.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.483 -25.418 20.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.707 -26.547 20.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.942 -26.547 18.888 1.00 0.00 H new ATOM 696 N ALA A 44 12.386 -29.730 21.134 1.00 0.00 N ATOM 697 CA ALA A 44 13.509 -28.792 21.089 1.00 0.00 C ATOM 698 C ALA A 44 14.797 -29.509 20.685 1.00 0.00 C ATOM 699 O ALA A 44 15.728 -28.887 20.179 1.00 0.00 O ATOM 700 CB ALA A 44 13.708 -28.111 22.452 1.00 0.00 C ATOM 0 H ALA A 44 11.943 -29.822 22.048 1.00 0.00 H new ATOM 0 HA ALA A 44 13.275 -28.032 20.344 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.548 -27.419 22.394 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.805 -27.564 22.721 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.913 -28.867 23.210 1.00 0.00 H new ATOM 706 N LEU A 45 14.842 -30.819 20.909 1.00 0.00 N ATOM 707 CA LEU A 45 16.026 -31.602 20.558 1.00 0.00 C ATOM 708 C LEU A 45 16.276 -31.547 19.049 1.00 0.00 C ATOM 709 O LEU A 45 17.423 -31.478 18.607 1.00 0.00 O ATOM 710 CB LEU A 45 15.891 -33.063 21.039 1.00 0.00 C ATOM 711 CG LEU A 45 17.142 -33.873 20.657 1.00 0.00 C ATOM 712 CD1 LEU A 45 18.392 -33.264 21.315 1.00 0.00 C ATOM 713 CD2 LEU A 45 16.960 -35.317 21.136 1.00 0.00 C ATOM 0 H LEU A 45 14.083 -31.357 21.327 1.00 0.00 H new ATOM 0 HA LEU A 45 16.885 -31.163 21.066 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.752 -33.085 22.120 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.006 -33.518 20.595 1.00 0.00 H new ATOM 0 HG LEU A 45 17.273 -33.851 19.575 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.270 -33.847 21.037 1.00 0.00 H new ATOM 0 HD12 LEU A 45 18.517 -32.235 20.977 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.276 -33.278 22.399 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.841 -35.902 20.871 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.829 -35.328 22.218 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.080 -35.750 20.660 1.00 0.00 H new ATOM 725 N GLU A 46 15.202 -31.582 18.261 1.00 0.00 N ATOM 726 CA GLU A 46 15.336 -31.539 16.807 1.00 0.00 C ATOM 727 C GLU A 46 15.927 -30.205 16.360 1.00 0.00 C ATOM 728 O GLU A 46 16.510 -30.106 15.280 1.00 0.00 O ATOM 729 CB GLU A 46 13.971 -31.746 16.141 1.00 0.00 C ATOM 730 CG GLU A 46 13.437 -33.138 16.483 1.00 0.00 C ATOM 731 CD GLU A 46 14.309 -34.206 15.829 1.00 0.00 C ATOM 732 OE1 GLU A 46 15.014 -33.874 14.891 1.00 0.00 O ATOM 733 OE2 GLU A 46 14.258 -35.339 16.276 1.00 0.00 O1- ATOM 0 H GLU A 46 14.242 -31.639 18.600 1.00 0.00 H new ATOM 0 HA GLU A 46 16.009 -32.341 16.504 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.270 -30.983 16.481 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.062 -31.636 15.060 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.426 -33.277 17.564 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.407 -33.236 16.139 1.00 0.00 H new ATOM 740 N ASP A 47 15.772 -29.180 17.195 1.00 0.00 N ATOM 741 CA ASP A 47 16.297 -27.853 16.866 1.00 0.00 C ATOM 742 C ASP A 47 15.771 -27.393 15.507 1.00 0.00 C ATOM 743 O ASP A 47 16.490 -26.752 14.741 1.00 0.00 O ATOM 744 CB ASP A 47 17.828 -27.892 16.829 1.00 0.00 C ATOM 745 CG ASP A 47 18.379 -28.097 18.234 1.00 0.00 C ATOM 746 OD1 ASP A 47 17.631 -27.908 19.179 1.00 0.00 O ATOM 747 OD2 ASP A 47 19.545 -28.441 18.347 1.00 0.00 O1- ATOM 0 H ASP A 47 15.294 -29.239 18.094 1.00 0.00 H new ATOM 0 HA ASP A 47 15.967 -27.152 17.632 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.164 -28.698 16.177 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.213 -26.962 16.411 1.00 0.00 H new ATOM 752 N LYS A 48 14.514 -27.722 15.213 1.00 0.00 N ATOM 753 CA LYS A 48 13.915 -27.329 13.938 1.00 0.00 C ATOM 754 C LYS A 48 14.787 -27.793 12.773 1.00 0.00 C ATOM 755 O LYS A 48 14.911 -27.096 11.766 1.00 0.00 O ATOM 756 CB LYS A 48 13.767 -25.807 13.885 1.00 0.00 C ATOM 757 CG LYS A 48 12.795 -25.351 14.975 1.00 0.00 C ATOM 758 CD LYS A 48 12.645 -23.830 14.924 1.00 0.00 C ATOM 759 CE LYS A 48 11.673 -23.376 16.015 1.00 0.00 C ATOM 760 NZ LYS A 48 11.533 -21.895 15.970 1.00 0.00 N1+ ATOM 0 H LYS A 48 13.898 -28.252 15.830 1.00 0.00 H new ATOM 0 HA LYS A 48 12.934 -27.798 13.855 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.738 -25.331 14.026 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.401 -25.500 12.905 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.825 -25.827 14.834 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.161 -25.658 15.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.615 -23.353 15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.278 -23.523 13.945 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.701 -23.848 15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.037 -23.688 16.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.872 -21.586 16.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.461 -21.454 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.167 -21.609 15.039 1.00 0.00 H new ATOM 774 N LEU A 49 15.389 -28.973 12.915 1.00 0.00 N ATOM 775 CA LEU A 49 16.244 -29.508 11.857 1.00 0.00 C ATOM 776 C LEU A 49 15.428 -29.758 10.586 1.00 0.00 C ATOM 777 O LEU A 49 15.904 -29.504 9.478 1.00 0.00 O ATOM 778 CB LEU A 49 16.956 -30.800 12.316 1.00 0.00 C ATOM 779 CG LEU A 49 17.849 -31.351 11.192 1.00 0.00 C ATOM 780 CD1 LEU A 49 18.926 -30.321 10.813 1.00 0.00 C ATOM 781 CD2 LEU A 49 18.520 -32.639 11.679 1.00 0.00 C ATOM 0 H LEU A 49 15.303 -29.569 13.739 1.00 0.00 H new ATOM 0 HA LEU A 49 17.012 -28.767 11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.559 -30.595 13.200 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.216 -31.548 12.601 1.00 0.00 H new ATOM 0 HG LEU A 49 17.238 -31.556 10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.551 -30.724 10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.447 -29.404 10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 49 19.544 -30.104 11.684 1.00 0.00 H new ATOM 0 HD21 LEU A 49 19.156 -33.039 10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.126 -32.423 12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.756 -33.373 11.936 1.00 0.00 H new ATOM 793 N ALA A 50 14.198 -30.255 10.743 1.00 0.00 N ATOM 794 CA ALA A 50 13.337 -30.530 9.595 1.00 0.00 C ATOM 795 C ALA A 50 11.870 -30.320 9.962 1.00 0.00 C ATOM 796 O ALA A 50 10.975 -30.874 9.324 1.00 0.00 O ATOM 797 CB ALA A 50 13.542 -31.970 9.120 1.00 0.00 C ATOM 0 H ALA A 50 13.781 -30.473 11.648 1.00 0.00 H new ATOM 0 HA ALA A 50 13.603 -29.841 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.896 -32.166 8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.583 -32.113 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.293 -32.658 9.928 1.00 0.00 H new ATOM 803 N ASP A 51 11.630 -29.521 10.997 1.00 0.00 N ATOM 804 CA ASP A 51 10.264 -29.252 11.439 1.00 0.00 C ATOM 805 C ASP A 51 9.464 -28.563 10.331 1.00 0.00 C ATOM 806 O ASP A 51 8.276 -28.832 10.163 1.00 0.00 O ATOM 807 CB ASP A 51 10.257 -28.394 12.715 1.00 0.00 C ATOM 808 CG ASP A 51 10.741 -29.223 13.901 1.00 0.00 C ATOM 809 OD1 ASP A 51 10.817 -30.432 13.763 1.00 0.00 O ATOM 810 OD2 ASP A 51 11.026 -28.634 14.932 1.00 0.00 O1- ATOM 0 H ASP A 51 12.354 -29.052 11.541 1.00 0.00 H new ATOM 0 HA ASP A 51 9.791 -30.207 11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.900 -27.524 12.582 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.251 -28.021 12.907 1.00 0.00 H new ATOM 815 N TYR A 52 10.117 -27.678 9.578 1.00 0.00 N ATOM 816 CA TYR A 52 9.440 -26.970 8.495 1.00 0.00 C ATOM 817 C TYR A 52 10.456 -26.287 7.586 1.00 0.00 C ATOM 818 O TYR A 52 11.620 -26.255 7.950 1.00 0.00 O ATOM 819 CB TYR A 52 8.481 -25.926 9.068 1.00 0.00 C ATOM 820 CG TYR A 52 9.254 -24.936 9.908 1.00 0.00 C ATOM 821 CD1 TYR A 52 9.805 -23.795 9.314 1.00 0.00 C ATOM 822 CD2 TYR A 52 9.415 -25.160 11.279 1.00 0.00 C ATOM 823 CE1 TYR A 52 10.520 -22.877 10.092 1.00 0.00 C ATOM 824 CE2 TYR A 52 10.131 -24.241 12.057 1.00 0.00 C ATOM 825 CZ TYR A 52 10.683 -23.101 11.463 1.00 0.00 C ATOM 826 OH TYR A 52 11.387 -22.194 12.231 1.00 0.00 O ATOM 827 OXT TYR A 52 10.054 -25.805 6.539 1.00 0.00 O ATOM 0 H TYR A 52 11.101 -27.437 9.696 1.00 0.00 H new ATOM 0 HA TYR A 52 8.875 -27.696 7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.966 -25.408 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.716 -26.413 9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.679 -23.623 8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.988 -26.040 11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.946 -21.996 9.634 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.257 -24.413 13.116 1.00 0.00 H new ATOM 0 HH TYR A 52 10.860 -21.958 13.023 1.00 0.00 H new TER 837 TYR A 52