USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 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 Single : A 1 GLY N :NH3+ -127:sc= 0 (180deg=-0.0908) 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 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.39) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0744 (180deg=-0.535) USER MOD Single : A 17 ASN : amide:sc= -0.879 K(o=-0.88,f=-2.5!) USER MOD Single : A 20 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -74:sc= 0.203 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.2 F(o=-1.9,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.042 -19.527 25.051 1.00 0.00 N ATOM 2 CA GLY A 1 29.513 -20.346 23.898 1.00 0.00 C ATOM 3 C GLY A 1 29.808 -21.765 24.367 1.00 0.00 C ATOM 4 O GLY A 1 28.899 -22.512 24.727 1.00 0.00 O ATOM 0 H1 GLY A 1 28.138 -19.074 24.808 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.910 -20.140 25.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.749 -18.796 25.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.754 -20.361 23.115 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.409 -19.901 23.465 1.00 0.00 H new ATOM 10 N SER A 2 31.084 -22.133 24.360 1.00 0.00 N ATOM 11 CA SER A 2 31.487 -23.466 24.788 1.00 0.00 C ATOM 12 C SER A 2 31.141 -23.695 26.261 1.00 0.00 C ATOM 13 O SER A 2 30.758 -24.799 26.648 1.00 0.00 O ATOM 14 CB SER A 2 32.989 -23.679 24.551 1.00 0.00 C ATOM 15 OG SER A 2 33.242 -23.683 23.151 1.00 0.00 O ATOM 0 H SER A 2 31.853 -21.531 24.065 1.00 0.00 H new ATOM 0 HA SER A 2 30.936 -24.193 24.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.562 -22.888 25.035 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.310 -24.622 24.994 1.00 0.00 H new ATOM 0 HG SER A 2 34.200 -23.817 22.992 1.00 0.00 H new ATOM 21 N VAL A 3 31.284 -22.654 27.082 1.00 0.00 N ATOM 22 CA VAL A 3 30.988 -22.779 28.510 1.00 0.00 C ATOM 23 C VAL A 3 29.546 -23.235 28.731 1.00 0.00 C ATOM 24 O VAL A 3 29.246 -23.910 29.714 1.00 0.00 O ATOM 25 CB VAL A 3 31.221 -21.440 29.232 1.00 0.00 C ATOM 26 CG1 VAL A 3 30.103 -20.445 28.892 1.00 0.00 C ATOM 27 CG2 VAL A 3 31.239 -21.681 30.745 1.00 0.00 C ATOM 0 H VAL A 3 31.598 -21.729 26.789 1.00 0.00 H new ATOM 0 HA VAL A 3 31.662 -23.530 28.923 1.00 0.00 H new ATOM 0 HB VAL A 3 32.174 -21.024 28.906 1.00 0.00 H new ATOM 0 HG11 VAL A 3 30.284 -19.504 29.411 1.00 0.00 H new ATOM 0 HG12 VAL A 3 30.087 -20.269 27.816 1.00 0.00 H new ATOM 0 HG13 VAL A 3 29.143 -20.855 29.207 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.404 -20.736 31.262 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.284 -22.104 31.057 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.042 -22.375 30.993 1.00 0.00 H new ATOM 37 N GLU A 4 28.660 -22.860 27.815 1.00 0.00 N ATOM 38 CA GLU A 4 27.254 -23.239 27.931 1.00 0.00 C ATOM 39 C GLU A 4 27.098 -24.760 27.878 1.00 0.00 C ATOM 40 O GLU A 4 26.246 -25.325 28.562 1.00 0.00 O ATOM 41 CB GLU A 4 26.410 -22.579 26.828 1.00 0.00 C ATOM 42 CG GLU A 4 26.319 -21.074 27.094 1.00 0.00 C ATOM 43 CD GLU A 4 25.647 -20.377 25.916 1.00 0.00 C ATOM 44 OE1 GLU A 4 25.510 -21.007 24.880 1.00 0.00 O ATOM 45 OE2 GLU A 4 25.280 -19.224 26.066 1.00 0.00 O1- ATOM 0 H GLU A 4 28.885 -22.300 26.992 1.00 0.00 H new ATOM 0 HA GLU A 4 26.892 -22.884 28.896 1.00 0.00 H new ATOM 0 HB2 GLU A 4 26.860 -22.761 25.852 1.00 0.00 H new ATOM 0 HB3 GLU A 4 25.412 -23.017 26.806 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.752 -20.891 28.007 1.00 0.00 H new ATOM 0 HG3 GLU A 4 27.316 -20.663 27.250 1.00 0.00 H new ATOM 52 N LYS A 5 27.922 -25.420 27.065 1.00 0.00 N ATOM 53 CA LYS A 5 27.851 -26.875 26.946 1.00 0.00 C ATOM 54 C LYS A 5 28.135 -27.538 28.297 1.00 0.00 C ATOM 55 O LYS A 5 27.512 -28.541 28.642 1.00 0.00 O ATOM 56 CB LYS A 5 28.825 -27.395 25.869 1.00 0.00 C ATOM 57 CG LYS A 5 28.691 -28.916 25.742 1.00 0.00 C ATOM 58 CD LYS A 5 29.631 -29.421 24.645 1.00 0.00 C ATOM 59 CE LYS A 5 29.503 -30.939 24.520 1.00 0.00 C ATOM 60 NZ LYS A 5 30.410 -31.429 23.444 1.00 0.00 N1+ ATOM 0 H LYS A 5 28.637 -24.978 26.487 1.00 0.00 H new ATOM 0 HA LYS A 5 26.840 -27.138 26.636 1.00 0.00 H new ATOM 0 HB2 LYS A 5 28.611 -26.920 24.912 1.00 0.00 H new ATOM 0 HB3 LYS A 5 29.849 -27.131 26.133 1.00 0.00 H new ATOM 0 HG2 LYS A 5 28.933 -29.394 26.691 1.00 0.00 H new ATOM 0 HG3 LYS A 5 27.661 -29.183 25.504 1.00 0.00 H new ATOM 0 HD2 LYS A 5 29.386 -28.946 23.695 1.00 0.00 H new ATOM 0 HD3 LYS A 5 30.660 -29.151 24.881 1.00 0.00 H new ATOM 0 HE2 LYS A 5 29.756 -31.415 25.468 1.00 0.00 H new ATOM 0 HE3 LYS A 5 28.472 -31.210 24.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 30.322 -32.462 23.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 30.149 -30.984 22.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 31.393 -31.183 23.680 1.00 0.00 H new ATOM 74 N LEU A 6 29.076 -26.978 29.056 1.00 0.00 N ATOM 75 CA LEU A 6 29.421 -27.540 30.361 1.00 0.00 C ATOM 76 C LEU A 6 28.223 -27.479 31.312 1.00 0.00 C ATOM 77 O LEU A 6 28.023 -28.385 32.120 1.00 0.00 O ATOM 78 CB LEU A 6 30.627 -26.810 30.987 1.00 0.00 C ATOM 79 CG LEU A 6 31.934 -27.203 30.270 1.00 0.00 C ATOM 80 CD1 LEU A 6 32.272 -28.686 30.520 1.00 0.00 C ATOM 81 CD2 LEU A 6 31.798 -26.947 28.764 1.00 0.00 C ATOM 0 H LEU A 6 29.607 -26.147 28.795 1.00 0.00 H new ATOM 0 HA LEU A 6 29.696 -28.583 30.205 1.00 0.00 H new ATOM 0 HB2 LEU A 6 30.480 -25.732 30.921 1.00 0.00 H new ATOM 0 HB3 LEU A 6 30.699 -27.058 32.046 1.00 0.00 H new ATOM 0 HG LEU A 6 32.744 -26.593 30.670 1.00 0.00 H new ATOM 0 HD11 LEU A 6 33.198 -28.940 30.004 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.394 -28.856 31.590 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.463 -29.312 30.143 1.00 0.00 H new ATOM 0 HD21 LEU A 6 32.724 -27.226 28.262 1.00 0.00 H new ATOM 0 HD22 LEU A 6 30.976 -27.543 28.366 1.00 0.00 H new ATOM 0 HD23 LEU A 6 31.597 -25.890 28.591 1.00 0.00 H new ATOM 93 N THR A 7 27.430 -26.406 31.221 1.00 0.00 N ATOM 94 CA THR A 7 26.259 -26.245 32.090 1.00 0.00 C ATOM 95 C THR A 7 24.969 -26.492 31.313 1.00 0.00 C ATOM 96 O THR A 7 24.720 -25.861 30.286 1.00 0.00 O ATOM 97 CB THR A 7 26.241 -24.829 32.667 1.00 0.00 C ATOM 98 OG1 THR A 7 27.409 -24.621 33.449 1.00 0.00 O ATOM 99 CG2 THR A 7 24.998 -24.646 33.534 1.00 0.00 C ATOM 0 H THR A 7 27.575 -25.642 30.561 1.00 0.00 H new ATOM 0 HA THR A 7 26.325 -26.974 32.897 1.00 0.00 H new ATOM 0 HB THR A 7 26.220 -24.104 31.853 1.00 0.00 H new ATOM 0 HG1 THR A 7 27.399 -23.713 33.817 1.00 0.00 H new ATOM 0 HG21 THR A 7 24.986 -23.636 33.945 1.00 0.00 H new ATOM 0 HG22 THR A 7 24.106 -24.802 32.928 1.00 0.00 H new ATOM 0 HG23 THR A 7 25.013 -25.369 34.349 1.00 0.00 H new ATOM 107 N ALA A 8 24.150 -27.413 31.815 1.00 0.00 N ATOM 108 CA ALA A 8 22.879 -27.738 31.161 1.00 0.00 C ATOM 109 C ALA A 8 21.794 -26.736 31.548 1.00 0.00 C ATOM 110 O ALA A 8 20.778 -26.616 30.863 1.00 0.00 O ATOM 111 CB ALA A 8 22.424 -29.153 31.540 1.00 0.00 C ATOM 0 H ALA A 8 24.338 -27.945 32.665 1.00 0.00 H new ATOM 0 HA ALA A 8 23.039 -27.687 30.084 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.479 -29.376 31.045 1.00 0.00 H new ATOM 0 HB2 ALA A 8 23.178 -29.874 31.225 1.00 0.00 H new ATOM 0 HB3 ALA A 8 22.291 -29.215 32.620 1.00 0.00 H new ATOM 117 N ASP A 9 22.009 -26.022 32.649 1.00 0.00 N ATOM 118 CA ASP A 9 21.028 -25.039 33.109 1.00 0.00 C ATOM 119 C ASP A 9 20.889 -23.908 32.093 1.00 0.00 C ATOM 120 O ASP A 9 19.842 -23.266 32.007 1.00 0.00 O ATOM 121 CB ASP A 9 21.424 -24.465 34.475 1.00 0.00 C ATOM 122 CG ASP A 9 21.247 -25.526 35.557 1.00 0.00 C ATOM 123 OD1 ASP A 9 20.610 -26.527 35.276 1.00 0.00 O ATOM 124 OD2 ASP A 9 21.750 -25.321 36.648 1.00 0.00 O1- ATOM 0 H ASP A 9 22.841 -26.102 33.234 1.00 0.00 H new ATOM 0 HA ASP A 9 20.069 -25.546 33.211 1.00 0.00 H new ATOM 0 HB2 ASP A 9 22.460 -24.128 34.451 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.811 -23.594 34.704 1.00 0.00 H new ATOM 129 N ALA A 10 21.949 -23.668 31.327 1.00 0.00 N ATOM 130 CA ALA A 10 21.925 -22.606 30.321 1.00 0.00 C ATOM 131 C ALA A 10 20.848 -22.887 29.275 1.00 0.00 C ATOM 132 O ALA A 10 20.319 -21.964 28.658 1.00 0.00 O ATOM 133 CB ALA A 10 23.292 -22.462 29.635 1.00 0.00 C ATOM 0 H ALA A 10 22.826 -24.186 31.380 1.00 0.00 H new ATOM 0 HA ALA A 10 21.694 -21.670 30.830 1.00 0.00 H new ATOM 0 HB1 ALA A 10 23.244 -21.666 28.892 1.00 0.00 H new ATOM 0 HB2 ALA A 10 24.049 -22.218 30.380 1.00 0.00 H new ATOM 0 HB3 ALA A 10 23.554 -23.400 29.145 1.00 0.00 H new ATOM 139 N GLU A 11 20.526 -24.165 29.079 1.00 0.00 N ATOM 140 CA GLU A 11 19.509 -24.541 28.102 1.00 0.00 C ATOM 141 C GLU A 11 18.150 -23.955 28.486 1.00 0.00 C ATOM 142 O GLU A 11 17.378 -23.546 27.620 1.00 0.00 O ATOM 143 CB GLU A 11 19.412 -26.071 27.970 1.00 0.00 C ATOM 144 CG GLU A 11 20.672 -26.600 27.283 1.00 0.00 C ATOM 145 CD GLU A 11 20.670 -28.124 27.294 1.00 0.00 C ATOM 146 OE1 GLU A 11 19.850 -28.692 27.997 1.00 0.00 O ATOM 147 OE2 GLU A 11 21.489 -28.704 26.600 1.00 0.00 O1- ATOM 0 H GLU A 11 20.949 -24.948 29.578 1.00 0.00 H new ATOM 0 HA GLU A 11 19.804 -24.132 27.136 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.302 -26.526 28.954 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.528 -26.342 27.393 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.717 -26.235 26.257 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.559 -26.225 27.794 1.00 0.00 H new ATOM 154 N LEU A 12 17.862 -23.909 29.788 1.00 0.00 N ATOM 155 CA LEU A 12 16.589 -23.358 30.254 1.00 0.00 C ATOM 156 C LEU A 12 16.493 -21.872 29.909 1.00 0.00 C ATOM 157 O LEU A 12 15.415 -21.374 29.586 1.00 0.00 O ATOM 158 CB LEU A 12 16.411 -23.565 31.771 1.00 0.00 C ATOM 159 CG LEU A 12 16.189 -25.056 32.088 1.00 0.00 C ATOM 160 CD1 LEU A 12 16.251 -25.254 33.606 1.00 0.00 C ATOM 161 CD2 LEU A 12 14.816 -25.525 31.559 1.00 0.00 C ATOM 0 H LEU A 12 18.481 -24.241 30.527 1.00 0.00 H new ATOM 0 HA LEU A 12 15.788 -23.893 29.744 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.292 -23.202 32.300 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.562 -22.981 32.127 1.00 0.00 H new ATOM 0 HG LEU A 12 16.965 -25.646 31.600 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.095 -26.307 33.842 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.228 -24.940 33.974 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.474 -24.656 34.083 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.677 -26.581 31.792 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.026 -24.942 32.032 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.775 -25.384 30.479 1.00 0.00 H new ATOM 173 N GLN A 13 17.622 -21.167 29.977 1.00 0.00 N ATOM 174 CA GLN A 13 17.635 -19.738 29.664 1.00 0.00 C ATOM 175 C GLN A 13 17.261 -19.507 28.199 1.00 0.00 C ATOM 176 O GLN A 13 16.588 -18.528 27.875 1.00 0.00 O ATOM 177 CB GLN A 13 19.013 -19.110 29.966 1.00 0.00 C ATOM 178 CG GLN A 13 19.251 -19.042 31.483 1.00 0.00 C ATOM 179 CD GLN A 13 18.232 -18.115 32.144 1.00 0.00 C ATOM 180 OE1 GLN A 13 17.434 -18.557 32.969 1.00 0.00 O ATOM 181 NE2 GLN A 13 18.216 -16.849 31.830 1.00 0.00 N ATOM 0 H GLN A 13 18.527 -21.555 30.242 1.00 0.00 H new ATOM 0 HA GLN A 13 16.894 -19.252 30.299 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.799 -19.699 29.494 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.065 -18.109 29.538 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.176 -20.040 31.914 1.00 0.00 H new ATOM 0 HG3 GLN A 13 20.261 -18.683 31.683 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.879 -16.485 31.146 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.541 -16.223 32.269 1.00 0.00 H new ATOM 190 N ARG A 14 17.698 -20.404 27.316 1.00 0.00 N ATOM 191 CA ARG A 14 17.393 -20.265 25.895 1.00 0.00 C ATOM 192 C ARG A 14 15.884 -20.324 25.660 1.00 0.00 C ATOM 193 O ARG A 14 15.359 -19.619 24.799 1.00 0.00 O ATOM 194 CB ARG A 14 18.101 -21.353 25.071 1.00 0.00 C ATOM 195 CG ARG A 14 19.608 -21.091 25.070 1.00 0.00 C ATOM 196 CD ARG A 14 20.314 -22.186 24.269 1.00 0.00 C ATOM 197 NE ARG A 14 21.752 -21.950 24.248 1.00 0.00 N ATOM 198 CZ ARG A 14 22.573 -22.773 23.604 1.00 0.00 C ATOM 199 NH1 ARG A 14 23.858 -22.542 23.599 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 22.094 -23.813 22.976 1.00 0.00 N ATOM 0 H ARG A 14 18.256 -21.223 27.556 1.00 0.00 H new ATOM 0 HA ARG A 14 17.760 -19.293 25.567 1.00 0.00 H new ATOM 0 HB2 ARG A 14 17.892 -22.337 25.492 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.721 -21.356 24.049 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.818 -20.114 24.635 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.986 -21.072 26.092 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.105 -23.161 24.710 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.927 -22.207 23.250 1.00 0.00 H new ATOM 0 HE ARG A 14 22.135 -21.140 24.736 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.232 -21.730 24.090 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.488 -23.174 23.105 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.090 -23.993 22.980 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.724 -24.445 22.482 1.00 0.00 H new ATOM 214 N LEU A 15 15.186 -21.163 26.424 1.00 0.00 N ATOM 215 CA LEU A 15 13.740 -21.288 26.274 1.00 0.00 C ATOM 216 C LEU A 15 13.052 -19.964 26.611 1.00 0.00 C ATOM 217 O LEU A 15 12.057 -19.600 25.985 1.00 0.00 O ATOM 218 CB LEU A 15 13.188 -22.415 27.164 1.00 0.00 C ATOM 219 CG LEU A 15 13.670 -23.780 26.648 1.00 0.00 C ATOM 220 CD1 LEU A 15 13.297 -24.859 27.670 1.00 0.00 C ATOM 221 CD2 LEU A 15 13.020 -24.107 25.286 1.00 0.00 C ATOM 0 H LEU A 15 15.594 -21.759 27.144 1.00 0.00 H new ATOM 0 HA LEU A 15 13.530 -21.540 25.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.516 -22.270 28.193 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.098 -22.384 27.170 1.00 0.00 H new ATOM 0 HG LEU A 15 14.751 -23.749 26.515 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.635 -25.831 27.312 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.775 -24.637 28.624 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.215 -24.877 27.802 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.374 -25.077 24.938 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.936 -24.135 25.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.291 -23.340 24.560 1.00 0.00 H new ATOM 233 N LYS A 16 13.581 -19.246 27.602 1.00 0.00 N ATOM 234 CA LYS A 16 12.996 -17.968 27.999 1.00 0.00 C ATOM 235 C LYS A 16 13.121 -16.947 26.871 1.00 0.00 C ATOM 236 O LYS A 16 12.318 -16.018 26.773 1.00 0.00 O ATOM 237 CB LYS A 16 13.680 -17.429 29.262 1.00 0.00 C ATOM 238 CG LYS A 16 13.337 -18.330 30.450 1.00 0.00 C ATOM 239 CD LYS A 16 14.017 -17.793 31.711 1.00 0.00 C ATOM 240 CE LYS A 16 13.696 -18.709 32.894 1.00 0.00 C ATOM 241 NZ LYS A 16 12.229 -18.698 33.147 1.00 0.00 N1+ ATOM 0 H LYS A 16 14.403 -19.524 28.138 1.00 0.00 H new ATOM 0 HA LYS A 16 11.940 -18.133 28.212 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.760 -17.395 29.117 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.352 -16.408 29.459 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.257 -18.365 30.593 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.666 -19.350 30.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.095 -17.740 31.561 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.674 -16.780 31.919 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.032 -19.724 32.683 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.231 -18.374 33.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.041 -19.024 34.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.864 -17.731 33.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.755 -19.331 32.471 1.00 0.00 H new ATOM 255 N ASN A 17 14.131 -17.123 26.021 1.00 0.00 N ATOM 256 CA ASN A 17 14.340 -16.201 24.905 1.00 0.00 C ATOM 257 C ASN A 17 14.436 -14.761 25.409 1.00 0.00 C ATOM 258 O ASN A 17 13.913 -13.842 24.781 1.00 0.00 O ATOM 259 CB ASN A 17 13.178 -16.314 23.915 1.00 0.00 C ATOM 260 CG ASN A 17 13.094 -17.735 23.370 1.00 0.00 C ATOM 261 OD1 ASN A 17 14.116 -18.337 23.044 1.00 0.00 O ATOM 262 ND2 ASN A 17 11.929 -18.310 23.251 1.00 0.00 N ATOM 0 H ASN A 17 14.808 -17.883 26.081 1.00 0.00 H new ATOM 0 HA ASN A 17 15.274 -16.466 24.409 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.243 -16.049 24.408 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.318 -15.609 23.095 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.864 -19.261 22.887 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.083 -17.809 23.522 1.00 0.00 H new ATOM 269 N GLU A 18 15.104 -14.573 26.547 1.00 0.00 N ATOM 270 CA GLU A 18 15.254 -13.233 27.119 1.00 0.00 C ATOM 271 C GLU A 18 13.886 -12.584 27.326 1.00 0.00 C ATOM 272 O GLU A 18 13.741 -11.369 27.184 1.00 0.00 O ATOM 273 CB GLU A 18 16.095 -12.361 26.185 1.00 0.00 C ATOM 274 CG GLU A 18 17.463 -13.013 25.971 1.00 0.00 C ATOM 275 CD GLU A 18 18.240 -13.038 27.281 1.00 0.00 C ATOM 276 OE1 GLU A 18 17.906 -12.259 28.160 1.00 0.00 O ATOM 277 OE2 GLU A 18 19.158 -13.833 27.388 1.00 0.00 O1- ATOM 0 H GLU A 18 15.545 -15.319 27.085 1.00 0.00 H new ATOM 0 HA GLU A 18 15.753 -13.322 28.084 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.586 -12.237 25.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.218 -11.366 26.612 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.336 -14.028 25.595 1.00 0.00 H new ATOM 0 HG3 GLU A 18 18.024 -12.461 25.217 1.00 0.00 H new ATOM 284 N ARG A 19 12.890 -13.399 27.664 1.00 0.00 N ATOM 285 CA ARG A 19 11.538 -12.884 27.892 1.00 0.00 C ATOM 286 C ARG A 19 11.153 -11.878 26.806 1.00 0.00 C ATOM 287 O ARG A 19 11.189 -12.194 25.617 1.00 0.00 O ATOM 288 CB ARG A 19 11.463 -12.218 29.268 1.00 0.00 C ATOM 289 CG ARG A 19 11.779 -13.249 30.352 1.00 0.00 C ATOM 290 CD ARG A 19 11.926 -12.542 31.702 1.00 0.00 C ATOM 291 NE ARG A 19 13.078 -11.648 31.681 1.00 0.00 N ATOM 292 CZ ARG A 19 13.360 -10.866 32.719 1.00 0.00 C ATOM 293 NH1 ARG A 19 14.396 -10.075 32.676 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 12.600 -10.892 33.780 1.00 0.00 N ATOM 0 H ARG A 19 12.989 -14.407 27.786 1.00 0.00 H new ATOM 0 HA ARG A 19 10.837 -13.718 27.854 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.170 -11.390 29.322 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.469 -11.800 29.428 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.984 -13.993 30.404 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.698 -13.781 30.106 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.021 -11.976 31.924 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.044 -13.280 32.496 1.00 0.00 H new ATOM 0 HE ARG A 19 13.678 -11.622 30.856 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.989 -10.056 31.847 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.613 -9.475 33.472 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.791 -11.512 33.812 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.816 -10.293 34.577 1.00 0.00 H new ATOM 308 N HIS A 20 10.780 -10.671 27.226 1.00 0.00 N ATOM 309 CA HIS A 20 10.386 -9.621 26.283 1.00 0.00 C ATOM 310 C HIS A 20 9.224 -10.095 25.408 1.00 0.00 C ATOM 311 O HIS A 20 9.080 -9.659 24.267 1.00 0.00 O ATOM 312 CB HIS A 20 11.573 -9.245 25.390 1.00 0.00 C ATOM 313 CG HIS A 20 12.696 -8.717 26.240 1.00 0.00 C ATOM 314 ND1 HIS A 20 13.982 -8.557 25.749 1.00 0.00 N ATOM 315 CD2 HIS A 20 12.743 -8.307 27.550 1.00 0.00 C ATOM 316 CE1 HIS A 20 14.741 -8.071 26.748 1.00 0.00 C ATOM 317 NE2 HIS A 20 14.035 -7.901 27.868 1.00 0.00 N ATOM 0 H HIS A 20 10.742 -10.394 28.207 1.00 0.00 H new ATOM 0 HA HIS A 20 10.069 -8.748 26.854 1.00 0.00 H new ATOM 0 HB2 HIS A 20 11.908 -10.116 24.827 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.270 -8.493 24.662 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.904 -8.301 28.230 1.00 0.00 H new ATOM 0 HE1 HIS A 20 15.793 -7.846 26.655 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.371 -7.549 28.765 1.00 0.00 H new ATOM 325 N GLU A 21 8.401 -10.996 25.947 1.00 0.00 N ATOM 326 CA GLU A 21 7.258 -11.525 25.195 1.00 0.00 C ATOM 327 C GLU A 21 6.200 -10.446 24.934 1.00 0.00 C ATOM 328 O GLU A 21 5.601 -10.409 23.859 1.00 0.00 O ATOM 329 CB GLU A 21 6.622 -12.725 25.920 1.00 0.00 C ATOM 330 CG GLU A 21 7.563 -13.932 25.840 1.00 0.00 C ATOM 331 CD GLU A 21 7.030 -15.065 26.711 1.00 0.00 C ATOM 332 OE1 GLU A 21 6.138 -14.807 27.502 1.00 0.00 O ATOM 333 OE2 GLU A 21 7.524 -16.172 26.576 1.00 0.00 O1- ATOM 0 H GLU A 21 8.501 -11.372 26.890 1.00 0.00 H new ATOM 0 HA GLU A 21 7.641 -11.862 24.232 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.427 -12.472 26.962 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.661 -12.969 25.466 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.652 -14.267 24.807 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.562 -13.647 26.170 1.00 0.00 H new ATOM 340 N GLU A 22 5.969 -9.574 25.914 1.00 0.00 N ATOM 341 CA GLU A 22 4.973 -8.512 25.763 1.00 0.00 C ATOM 342 C GLU A 22 5.407 -7.507 24.702 1.00 0.00 C ATOM 343 O GLU A 22 4.574 -6.847 24.080 1.00 0.00 O ATOM 344 CB GLU A 22 4.743 -7.781 27.093 1.00 0.00 C ATOM 345 CG GLU A 22 4.025 -8.713 28.068 1.00 0.00 C ATOM 346 CD GLU A 22 3.905 -8.045 29.435 1.00 0.00 C ATOM 347 OE1 GLU A 22 4.527 -7.013 29.625 1.00 0.00 O ATOM 348 OE2 GLU A 22 3.192 -8.578 30.269 1.00 0.00 O1- ATOM 0 H GLU A 22 6.452 -9.580 26.813 1.00 0.00 H new ATOM 0 HA GLU A 22 4.040 -8.981 25.450 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.696 -7.461 27.514 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.149 -6.882 26.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.034 -8.959 27.686 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.574 -9.650 28.159 1.00 0.00 H new ATOM 355 N ALA A 23 6.712 -7.388 24.510 1.00 0.00 N ATOM 356 CA ALA A 23 7.242 -6.441 23.526 1.00 0.00 C ATOM 357 C ALA A 23 6.727 -6.765 22.120 1.00 0.00 C ATOM 358 O ALA A 23 6.432 -5.857 21.344 1.00 0.00 O ATOM 359 CB ALA A 23 8.781 -6.422 23.534 1.00 0.00 C ATOM 0 H ALA A 23 7.419 -7.925 25.012 1.00 0.00 H new ATOM 0 HA ALA A 23 6.888 -5.450 23.808 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.140 -5.709 22.792 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.136 -6.128 24.522 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.158 -7.416 23.294 1.00 0.00 H new ATOM 365 N GLU A 24 6.611 -8.053 21.794 1.00 0.00 N ATOM 366 CA GLU A 24 6.122 -8.444 20.474 1.00 0.00 C ATOM 367 C GLU A 24 4.677 -7.980 20.284 1.00 0.00 C ATOM 368 O GLU A 24 4.286 -7.580 19.187 1.00 0.00 O ATOM 369 CB GLU A 24 6.222 -9.969 20.276 1.00 0.00 C ATOM 370 CG GLU A 24 7.694 -10.393 20.181 1.00 0.00 C ATOM 371 CD GLU A 24 8.309 -10.478 21.575 1.00 0.00 C ATOM 372 OE1 GLU A 24 7.590 -10.256 22.533 1.00 0.00 O ATOM 373 OE2 GLU A 24 9.493 -10.764 21.661 1.00 0.00 O1- ATOM 0 H GLU A 24 6.844 -8.829 22.413 1.00 0.00 H new ATOM 0 HA GLU A 24 6.750 -7.962 19.725 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.740 -10.484 21.107 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.692 -10.261 19.370 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.770 -11.359 19.682 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.248 -9.677 19.574 1.00 0.00 H new ATOM 380 N LEU A 25 3.887 -8.034 21.357 1.00 0.00 N ATOM 381 CA LEU A 25 2.488 -7.613 21.284 1.00 0.00 C ATOM 382 C LEU A 25 2.393 -6.125 20.938 1.00 0.00 C ATOM 383 O LEU A 25 1.512 -5.717 20.181 1.00 0.00 O ATOM 384 CB LEU A 25 1.745 -7.920 22.602 1.00 0.00 C ATOM 385 CG LEU A 25 0.279 -7.468 22.510 1.00 0.00 C ATOM 386 CD1 LEU A 25 -0.437 -8.213 21.370 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.417 -7.775 23.841 1.00 0.00 C ATOM 0 H LEU A 25 4.187 -8.361 22.276 1.00 0.00 H new ATOM 0 HA LEU A 25 2.004 -8.182 20.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.790 -8.989 22.811 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.237 -7.412 23.431 1.00 0.00 H new ATOM 0 HG LEU A 25 0.241 -6.398 22.305 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.475 -7.884 21.315 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.062 -7.998 20.425 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.406 -9.286 21.561 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.459 -7.459 23.788 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.373 -8.846 24.036 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.085 -7.238 24.646 1.00 0.00 H new ATOM 399 N GLU A 26 3.294 -5.318 21.495 1.00 0.00 N ATOM 400 CA GLU A 26 3.278 -3.879 21.227 1.00 0.00 C ATOM 401 C GLU A 26 3.497 -3.605 19.738 1.00 0.00 C ATOM 402 O GLU A 26 2.879 -2.702 19.175 1.00 0.00 O ATOM 403 CB GLU A 26 4.335 -3.142 22.074 1.00 0.00 C ATOM 404 CG GLU A 26 4.243 -1.636 21.811 1.00 0.00 C ATOM 405 CD GLU A 26 5.236 -0.893 22.698 1.00 0.00 C ATOM 406 OE1 GLU A 26 5.930 -1.551 23.457 1.00 0.00 O ATOM 407 OE2 GLU A 26 5.286 0.322 22.608 1.00 0.00 O1- ATOM 0 H GLU A 26 4.034 -5.628 22.125 1.00 0.00 H new ATOM 0 HA GLU A 26 2.296 -3.498 21.509 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.175 -3.347 23.133 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.332 -3.505 21.826 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.453 -1.428 20.762 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.231 -1.284 22.010 1.00 0.00 H new ATOM 414 N ARG A 27 4.371 -4.383 19.100 1.00 0.00 N ATOM 415 CA ARG A 27 4.637 -4.192 17.675 1.00 0.00 C ATOM 416 C ARG A 27 3.378 -4.463 16.850 1.00 0.00 C ATOM 417 O ARG A 27 3.124 -3.781 15.857 1.00 0.00 O ATOM 418 CB ARG A 27 5.795 -5.086 17.194 1.00 0.00 C ATOM 419 CG ARG A 27 7.119 -4.574 17.772 1.00 0.00 C ATOM 420 CD ARG A 27 8.243 -5.545 17.407 1.00 0.00 C ATOM 421 NE ARG A 27 8.409 -5.600 15.959 1.00 0.00 N ATOM 422 CZ ARG A 27 9.210 -6.499 15.393 1.00 0.00 C ATOM 423 NH1 ARG A 27 9.345 -6.528 14.096 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 9.861 -7.353 16.136 1.00 0.00 N ATOM 0 H ARG A 27 4.898 -5.138 19.538 1.00 0.00 H new ATOM 0 HA ARG A 27 4.933 -3.153 17.531 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.625 -6.116 17.506 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.839 -5.086 16.105 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.340 -3.581 17.380 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.043 -4.479 18.855 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.175 -5.227 17.876 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.015 -6.539 17.792 1.00 0.00 H new ATOM 0 HE ARG A 27 7.903 -4.938 15.371 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.836 -5.861 13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.959 -7.217 13.662 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.755 -7.331 17.150 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.475 -8.042 15.702 1.00 0.00 H new ATOM 438 N LEU A 28 2.589 -5.455 17.265 1.00 0.00 N ATOM 439 CA LEU A 28 1.357 -5.791 16.548 1.00 0.00 C ATOM 440 C LEU A 28 0.211 -4.904 17.023 1.00 0.00 C ATOM 441 O LEU A 28 -0.833 -4.822 16.376 1.00 0.00 O ATOM 442 CB LEU A 28 0.989 -7.264 16.770 1.00 0.00 C ATOM 443 CG LEU A 28 2.096 -8.181 16.228 1.00 0.00 C ATOM 444 CD1 LEU A 28 1.739 -9.636 16.552 1.00 0.00 C ATOM 445 CD2 LEU A 28 2.230 -8.008 14.702 1.00 0.00 C ATOM 0 H LEU A 28 2.777 -6.034 18.084 1.00 0.00 H new ATOM 0 HA LEU A 28 1.526 -5.623 15.484 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.841 -7.452 17.833 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.046 -7.489 16.272 1.00 0.00 H new ATOM 0 HG LEU A 28 3.045 -7.918 16.694 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.519 -10.295 16.171 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.656 -9.758 17.632 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.788 -9.890 16.084 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.018 -8.663 14.329 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.286 -8.266 14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.481 -6.972 14.474 1.00 0.00 H new ATOM 457 N LYS A 29 0.414 -4.242 18.158 1.00 0.00 N ATOM 458 CA LYS A 29 -0.614 -3.362 18.711 1.00 0.00 C ATOM 459 C LYS A 29 -0.924 -2.221 17.740 1.00 0.00 C ATOM 460 O LYS A 29 -2.081 -1.823 17.596 1.00 0.00 O ATOM 461 CB LYS A 29 -0.188 -2.807 20.086 1.00 0.00 C ATOM 462 CG LYS A 29 -1.304 -1.922 20.655 1.00 0.00 C ATOM 463 CD LYS A 29 -0.890 -1.407 22.036 1.00 0.00 C ATOM 464 CE LYS A 29 -1.999 -0.519 22.603 1.00 0.00 C ATOM 465 NZ LYS A 29 -1.600 -0.026 23.951 1.00 0.00 N1+ ATOM 0 H LYS A 29 1.271 -4.296 18.709 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.521 -3.950 18.853 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.023 -3.628 20.771 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.732 -2.230 19.987 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.496 -1.084 19.985 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.231 -2.490 20.729 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.702 -2.245 22.707 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.040 -0.843 21.962 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.182 0.323 21.936 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.931 -1.081 22.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.354 0.578 24.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.446 -0.836 24.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.721 0.525 23.873 1.00 0.00 H new ATOM 479 N SER A 30 0.104 -1.692 17.078 1.00 0.00 N ATOM 480 CA SER A 30 -0.095 -0.598 16.133 1.00 0.00 C ATOM 481 C SER A 30 -0.995 -1.038 14.983 1.00 0.00 C ATOM 482 O SER A 30 -1.766 -0.241 14.448 1.00 0.00 O ATOM 483 CB SER A 30 1.253 -0.134 15.577 1.00 0.00 C ATOM 484 OG SER A 30 1.857 -1.200 14.858 1.00 0.00 O ATOM 0 H SER A 30 1.071 -2.000 17.177 1.00 0.00 H new ATOM 0 HA SER A 30 -0.574 0.227 16.660 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.113 0.727 14.923 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.904 0.186 16.391 1.00 0.00 H new ATOM 0 HG SER A 30 2.197 -1.869 15.489 1.00 0.00 H new ATOM 490 N GLU A 31 -0.894 -2.309 14.608 1.00 0.00 N ATOM 491 CA GLU A 31 -1.711 -2.839 13.517 1.00 0.00 C ATOM 492 C GLU A 31 -3.199 -2.756 13.878 1.00 0.00 C ATOM 493 O GLU A 31 -4.032 -2.445 13.027 1.00 0.00 O ATOM 494 CB GLU A 31 -1.315 -4.291 13.184 1.00 0.00 C ATOM 495 CG GLU A 31 -2.162 -4.817 12.017 1.00 0.00 C ATOM 496 CD GLU A 31 -1.895 -3.996 10.759 1.00 0.00 C ATOM 497 OE1 GLU A 31 -0.853 -3.363 10.698 1.00 0.00 O ATOM 498 OE2 GLU A 31 -2.736 -4.012 9.876 1.00 0.00 O1- ATOM 0 H GLU A 31 -0.263 -2.986 15.036 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.532 -2.231 12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.257 -4.337 12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.456 -4.924 14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.928 -5.865 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.220 -4.767 12.275 1.00 0.00 H new ATOM 505 N ALA A 32 -3.529 -3.037 15.142 1.00 0.00 N ATOM 506 CA ALA A 32 -4.923 -2.991 15.588 1.00 0.00 C ATOM 507 C ALA A 32 -5.361 -1.553 15.865 1.00 0.00 C ATOM 508 O ALA A 32 -6.555 -1.260 15.929 1.00 0.00 O ATOM 509 CB ALA A 32 -5.110 -3.832 16.857 1.00 0.00 C ATOM 0 H ALA A 32 -2.859 -3.296 15.866 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.540 -3.401 14.789 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.152 -3.786 17.174 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.839 -4.867 16.651 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.472 -3.441 17.650 1.00 0.00 H new ATOM 515 N ALA A 33 -4.389 -0.661 16.043 1.00 0.00 N ATOM 516 CA ALA A 33 -4.695 0.745 16.324 1.00 0.00 C ATOM 517 C ALA A 33 -4.970 1.515 15.035 1.00 0.00 C ATOM 518 O ALA A 33 -5.505 2.624 15.066 1.00 0.00 O ATOM 519 CB ALA A 33 -3.532 1.408 17.072 1.00 0.00 C ATOM 0 H ALA A 33 -3.394 -0.880 15.999 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.589 0.770 16.947 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.776 2.451 17.273 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.362 0.888 18.014 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.631 1.357 16.461 1.00 0.00 H new ATOM 525 N ASP A 34 -4.593 0.926 13.904 1.00 0.00 N ATOM 526 CA ASP A 34 -4.794 1.570 12.599 1.00 0.00 C ATOM 527 C ASP A 34 -6.130 1.162 11.985 1.00 0.00 C ATOM 528 O ASP A 34 -6.310 0.019 11.567 1.00 0.00 O ATOM 529 CB ASP A 34 -3.658 1.198 11.639 1.00 0.00 C ATOM 530 CG ASP A 34 -3.846 1.919 10.309 1.00 0.00 C ATOM 531 OD1 ASP A 34 -4.877 2.549 10.141 1.00 0.00 O ATOM 532 OD2 ASP A 34 -2.958 1.829 9.478 1.00 0.00 O1- ATOM 0 H ASP A 34 -4.149 0.009 13.859 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.797 2.648 12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.697 1.468 12.077 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.643 0.120 11.479 1.00 0.00 H new ATOM 537 N HIS A 35 -7.060 2.111 11.928 1.00 0.00 N ATOM 538 CA HIS A 35 -8.380 1.842 11.356 1.00 0.00 C ATOM 539 C HIS A 35 -9.003 0.615 12.012 1.00 0.00 C ATOM 540 O HIS A 35 -9.808 -0.088 11.404 1.00 0.00 O ATOM 541 CB HIS A 35 -8.252 1.604 9.849 1.00 0.00 C ATOM 542 CG HIS A 35 -9.619 1.405 9.255 1.00 0.00 C ATOM 543 ND1 HIS A 35 -10.250 0.292 8.757 1.00 0.00 N flip ATOM 544 CD2 HIS A 35 -10.523 2.446 9.116 1.00 0.00 C flip ATOM 545 CE1 HIS A 35 -11.526 0.634 8.317 1.00 0.00 C flip ATOM 546 NE2 HIS A 35 -11.641 1.943 8.558 1.00 0.00 N flip ATOM 0 H HIS A 35 -6.929 3.064 12.266 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.021 2.705 11.537 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.759 2.453 9.377 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.631 0.729 9.660 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.361 3.474 9.403 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.264 -0.019 7.876 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.473 2.494 8.346 1.00 0.00 H new ATOM 554 N ASP A 36 -8.627 0.371 13.262 1.00 0.00 N ATOM 555 CA ASP A 36 -9.153 -0.767 14.005 1.00 0.00 C ATOM 556 C ASP A 36 -9.047 -0.508 15.506 1.00 0.00 C ATOM 557 O ASP A 36 -9.307 -1.393 16.321 1.00 0.00 O ATOM 558 CB ASP A 36 -8.371 -2.033 13.638 1.00 0.00 C ATOM 559 CG ASP A 36 -8.833 -3.204 14.497 1.00 0.00 C ATOM 560 OD1 ASP A 36 -9.955 -3.648 14.307 1.00 0.00 O ATOM 561 OD2 ASP A 36 -8.060 -3.642 15.331 1.00 0.00 O1- ATOM 0 H ASP A 36 -7.962 0.944 13.781 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.202 -0.906 13.744 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.517 -2.266 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.304 -1.865 13.783 1.00 0.00 H new ATOM 566 N LYS A 37 -8.659 0.716 15.863 1.00 0.00 N ATOM 567 CA LYS A 37 -8.517 1.084 17.271 1.00 0.00 C ATOM 568 C LYS A 37 -9.849 0.966 18.011 1.00 0.00 C ATOM 569 O LYS A 37 -9.881 0.659 19.202 1.00 0.00 O ATOM 570 CB LYS A 37 -7.983 2.518 17.386 1.00 0.00 C ATOM 571 CG LYS A 37 -8.996 3.505 16.798 1.00 0.00 C ATOM 572 CD LYS A 37 -8.431 4.925 16.887 1.00 0.00 C ATOM 573 CE LYS A 37 -9.440 5.915 16.300 1.00 0.00 C ATOM 574 NZ LYS A 37 -8.893 7.297 16.393 1.00 0.00 N1+ ATOM 0 H LYS A 37 -8.439 1.463 15.204 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.810 0.394 17.731 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.792 2.760 18.431 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.032 2.604 16.860 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.208 3.250 15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.939 3.442 17.341 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.219 5.179 17.926 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.487 4.987 16.345 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.648 5.664 15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.385 5.850 16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.579 7.969 15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.716 7.534 17.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.002 7.354 15.860 1.00 0.00 H new ATOM 588 N LYS A 38 -10.943 1.212 17.299 1.00 0.00 N ATOM 589 CA LYS A 38 -12.269 1.127 17.904 1.00 0.00 C ATOM 590 C LYS A 38 -12.559 -0.297 18.381 1.00 0.00 C ATOM 591 O LYS A 38 -13.193 -0.492 19.418 1.00 0.00 O ATOM 592 CB LYS A 38 -13.354 1.591 16.918 1.00 0.00 C ATOM 593 CG LYS A 38 -13.241 3.106 16.718 1.00 0.00 C ATOM 594 CD LYS A 38 -14.139 3.564 15.561 1.00 0.00 C ATOM 595 CE LYS A 38 -15.615 3.454 15.955 1.00 0.00 C ATOM 596 NZ LYS A 38 -16.457 4.085 14.898 1.00 0.00 N1+ ATOM 0 H LYS A 38 -10.940 1.469 16.312 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.284 1.791 18.768 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.239 1.077 15.964 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.342 1.336 17.300 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.527 3.622 17.634 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.205 3.375 16.511 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.903 4.594 15.295 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.945 2.954 14.678 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.893 2.407 16.080 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.785 3.946 16.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.460 4.012 15.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.197 5.087 14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.302 3.597 13.993 1.00 0.00 H new ATOM 610 N GLU A 39 -12.097 -1.290 17.621 1.00 0.00 N ATOM 611 CA GLU A 39 -12.323 -2.685 17.988 1.00 0.00 C ATOM 612 C GLU A 39 -11.552 -3.039 19.257 1.00 0.00 C ATOM 613 O GLU A 39 -11.923 -3.961 19.982 1.00 0.00 O ATOM 614 CB GLU A 39 -11.891 -3.612 16.846 1.00 0.00 C ATOM 615 CG GLU A 39 -12.738 -3.325 15.604 1.00 0.00 C ATOM 616 CD GLU A 39 -14.190 -3.714 15.857 1.00 0.00 C ATOM 617 OE1 GLU A 39 -14.426 -4.485 16.772 1.00 0.00 O ATOM 618 OE2 GLU A 39 -15.047 -3.234 15.132 1.00 0.00 O1- ATOM 0 H GLU A 39 -11.570 -1.156 16.758 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.388 -2.819 18.175 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.835 -3.461 16.621 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.008 -4.654 17.146 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.676 -2.267 15.349 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.348 -3.882 14.752 1.00 0.00 H new ATOM 625 N ALA A 40 -10.478 -2.299 19.521 1.00 0.00 N ATOM 626 CA ALA A 40 -9.665 -2.548 20.712 1.00 0.00 C ATOM 627 C ALA A 40 -10.483 -2.304 21.977 1.00 0.00 C ATOM 628 O ALA A 40 -10.142 -2.797 23.052 1.00 0.00 O ATOM 629 CB ALA A 40 -8.421 -1.649 20.724 1.00 0.00 C ATOM 0 H ALA A 40 -10.152 -1.530 18.935 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.345 -3.590 20.686 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.833 -1.853 21.619 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.817 -1.852 19.839 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.728 -0.603 20.722 1.00 0.00 H new ATOM 635 N GLU A 41 -11.560 -1.537 21.842 1.00 0.00 N ATOM 636 CA GLU A 41 -12.415 -1.229 22.986 1.00 0.00 C ATOM 637 C GLU A 41 -13.021 -2.505 23.570 1.00 0.00 C ATOM 638 O GLU A 41 -13.188 -2.617 24.784 1.00 0.00 O ATOM 639 CB GLU A 41 -13.528 -0.247 22.589 1.00 0.00 C ATOM 640 CG GLU A 41 -12.918 1.128 22.317 1.00 0.00 C ATOM 641 CD GLU A 41 -13.980 2.070 21.760 1.00 0.00 C ATOM 642 OE1 GLU A 41 -15.046 1.589 21.411 1.00 0.00 O ATOM 643 OE2 GLU A 41 -13.713 3.259 21.692 1.00 0.00 O1- ATOM 0 H GLU A 41 -11.861 -1.120 20.961 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.795 -0.759 23.749 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.048 -0.609 21.702 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.268 -0.178 23.386 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.502 1.539 23.237 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.095 1.036 21.609 1.00 0.00 H new ATOM 650 N ARG A 42 -13.351 -3.470 22.710 1.00 0.00 N ATOM 651 CA ARG A 42 -13.937 -4.722 23.181 1.00 0.00 C ATOM 652 C ARG A 42 -12.958 -5.459 24.102 1.00 0.00 C ATOM 653 O ARG A 42 -13.367 -6.083 25.082 1.00 0.00 O ATOM 654 CB ARG A 42 -14.332 -5.625 22.001 1.00 0.00 C ATOM 655 CG ARG A 42 -15.528 -5.015 21.268 1.00 0.00 C ATOM 656 CD ARG A 42 -15.951 -5.939 20.125 1.00 0.00 C ATOM 657 NE ARG A 42 -14.916 -5.980 19.098 1.00 0.00 N ATOM 658 CZ ARG A 42 -15.002 -6.820 18.072 1.00 0.00 C ATOM 659 NH1 ARG A 42 -14.061 -6.845 17.169 1.00 0.00 N1+ ATOM 660 NH2 ARG A 42 -16.027 -7.620 17.967 1.00 0.00 N ATOM 0 H ARG A 42 -13.224 -3.410 21.700 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.838 -4.479 23.744 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.491 -5.736 21.317 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.583 -6.623 22.361 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.358 -4.872 21.960 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.266 -4.032 20.877 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.133 -6.943 20.508 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.888 -5.588 19.693 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.114 -5.354 19.169 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.259 -6.220 17.251 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.127 -7.490 16.381 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.763 -7.601 18.673 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.092 -8.265 17.179 1.00 0.00 H new ATOM 674 N LYS A 43 -11.665 -5.388 23.778 1.00 0.00 N ATOM 675 CA LYS A 43 -10.635 -6.058 24.577 1.00 0.00 C ATOM 676 C LYS A 43 -10.560 -5.481 25.994 1.00 0.00 C ATOM 677 O LYS A 43 -10.301 -6.212 26.951 1.00 0.00 O ATOM 678 CB LYS A 43 -9.258 -5.969 23.888 1.00 0.00 C ATOM 679 CG LYS A 43 -8.240 -6.821 24.658 1.00 0.00 C ATOM 680 CD LYS A 43 -6.839 -6.666 24.048 1.00 0.00 C ATOM 681 CE LYS A 43 -6.741 -7.437 22.726 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.322 -7.449 22.267 1.00 0.00 N1+ ATOM 0 H LYS A 43 -11.307 -4.876 22.972 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.917 -7.108 24.656 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.333 -6.317 22.858 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.925 -4.932 23.851 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.223 -6.519 25.705 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.540 -7.869 24.633 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.625 -5.611 23.877 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.089 -7.035 24.747 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.101 -8.457 22.859 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.375 -6.971 21.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.252 -7.971 21.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.995 -6.472 22.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.729 -7.912 22.985 1.00 0.00 H new ATOM 696 N ALA A 44 -10.764 -4.170 26.130 1.00 0.00 N ATOM 697 CA ALA A 44 -10.687 -3.529 27.446 1.00 0.00 C ATOM 698 C ALA A 44 -11.705 -4.130 28.411 1.00 0.00 C ATOM 699 O ALA A 44 -11.549 -4.038 29.627 1.00 0.00 O ATOM 700 CB ALA A 44 -10.925 -2.016 27.331 1.00 0.00 C ATOM 0 H ALA A 44 -10.981 -3.538 25.359 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.685 -3.705 27.836 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.863 -1.562 28.320 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.167 -1.577 26.682 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.914 -1.834 26.909 1.00 0.00 H new ATOM 706 N LEU A 45 -12.747 -4.745 27.864 1.00 0.00 N ATOM 707 CA LEU A 45 -13.782 -5.356 28.694 1.00 0.00 C ATOM 708 C LEU A 45 -13.210 -6.541 29.470 1.00 0.00 C ATOM 709 O LEU A 45 -13.688 -6.868 30.556 1.00 0.00 O ATOM 710 CB LEU A 45 -14.963 -5.822 27.829 1.00 0.00 C ATOM 711 CG LEU A 45 -15.662 -4.612 27.193 1.00 0.00 C ATOM 712 CD1 LEU A 45 -16.719 -5.111 26.202 1.00 0.00 C ATOM 713 CD2 LEU A 45 -16.335 -3.742 28.277 1.00 0.00 C ATOM 0 H LEU A 45 -12.899 -4.834 26.859 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.138 -4.607 29.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.609 -6.498 27.050 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.672 -6.382 28.439 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.921 -4.004 26.674 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.221 -4.258 25.745 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.238 -5.707 25.426 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.451 -5.723 26.729 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.825 -2.889 27.807 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.075 -4.336 28.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.580 -3.385 28.978 1.00 0.00 H new ATOM 725 N GLU A 46 -12.188 -7.181 28.907 1.00 0.00 N ATOM 726 CA GLU A 46 -11.567 -8.329 29.562 1.00 0.00 C ATOM 727 C GLU A 46 -10.888 -7.902 30.862 1.00 0.00 C ATOM 728 O GLU A 46 -10.738 -8.704 31.785 1.00 0.00 O ATOM 729 CB GLU A 46 -10.538 -8.985 28.631 1.00 0.00 C ATOM 730 CG GLU A 46 -11.249 -9.553 27.402 1.00 0.00 C ATOM 731 CD GLU A 46 -12.133 -10.729 27.806 1.00 0.00 C ATOM 732 OE1 GLU A 46 -11.910 -11.270 28.876 1.00 0.00 O ATOM 733 OE2 GLU A 46 -13.017 -11.072 27.039 1.00 0.00 O1- ATOM 0 H GLU A 46 -11.776 -6.928 28.009 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.349 -9.053 29.793 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.790 -8.253 28.325 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.010 -9.780 29.158 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.854 -8.778 26.931 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.515 -9.876 26.664 1.00 0.00 H new ATOM 740 N ASP A 47 -10.476 -6.639 30.930 1.00 0.00 N ATOM 741 CA ASP A 47 -9.814 -6.129 32.127 1.00 0.00 C ATOM 742 C ASP A 47 -10.742 -6.215 33.338 1.00 0.00 C ATOM 743 O ASP A 47 -10.294 -6.490 34.450 1.00 0.00 O ATOM 744 CB ASP A 47 -9.343 -4.679 31.921 1.00 0.00 C ATOM 745 CG ASP A 47 -8.163 -4.648 30.954 1.00 0.00 C ATOM 746 OD1 ASP A 47 -7.611 -5.702 30.689 1.00 0.00 O ATOM 747 OD2 ASP A 47 -7.830 -3.568 30.494 1.00 0.00 O1- ATOM 0 H ASP A 47 -10.587 -5.957 30.180 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.939 -6.752 32.314 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.161 -4.074 31.530 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.053 -4.243 32.877 1.00 0.00 H new ATOM 752 N LYS A 48 -12.036 -5.979 33.124 1.00 0.00 N ATOM 753 CA LYS A 48 -12.999 -6.038 34.222 1.00 0.00 C ATOM 754 C LYS A 48 -13.024 -7.441 34.834 1.00 0.00 C ATOM 755 O LYS A 48 -13.136 -7.588 36.049 1.00 0.00 O ATOM 756 CB LYS A 48 -14.409 -5.623 33.756 1.00 0.00 C ATOM 757 CG LYS A 48 -15.377 -5.659 34.943 1.00 0.00 C ATOM 758 CD LYS A 48 -16.764 -5.208 34.487 1.00 0.00 C ATOM 759 CE LYS A 48 -17.730 -5.249 35.672 1.00 0.00 C ATOM 760 NZ LYS A 48 -19.080 -4.798 35.229 1.00 0.00 N1+ ATOM 0 H LYS A 48 -12.437 -5.749 32.215 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.681 -5.329 34.986 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.381 -4.621 33.328 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.756 -6.295 32.971 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.428 -6.668 35.353 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.016 -5.009 35.740 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.714 -4.198 34.080 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.124 -5.856 33.688 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.787 -6.261 36.074 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.366 -4.607 36.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.737 -4.826 36.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.019 -3.826 34.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.427 -5.428 34.477 1.00 0.00 H new ATOM 774 N LEU A 49 -12.919 -8.469 33.993 1.00 0.00 N ATOM 775 CA LEU A 49 -12.935 -9.844 34.485 1.00 0.00 C ATOM 776 C LEU A 49 -11.724 -10.108 35.383 1.00 0.00 C ATOM 777 O LEU A 49 -11.817 -10.859 36.354 1.00 0.00 O ATOM 778 CB LEU A 49 -12.953 -10.845 33.315 1.00 0.00 C ATOM 779 CG LEU A 49 -14.292 -10.757 32.567 1.00 0.00 C ATOM 780 CD1 LEU A 49 -14.205 -11.599 31.290 1.00 0.00 C ATOM 781 CD2 LEU A 49 -15.447 -11.273 33.453 1.00 0.00 C ATOM 0 H LEU A 49 -12.823 -8.378 32.982 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.844 -9.981 35.071 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.131 -10.633 32.632 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.803 -11.857 33.690 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.492 -9.715 32.316 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.151 -11.543 30.752 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.404 -11.218 30.657 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.998 -12.637 31.552 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.386 -11.202 32.904 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.262 -12.313 33.723 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.509 -10.669 34.358 1.00 0.00 H new ATOM 793 N ALA A 50 -10.586 -9.496 35.052 1.00 0.00 N ATOM 794 CA ALA A 50 -9.370 -9.691 35.841 1.00 0.00 C ATOM 795 C ALA A 50 -9.565 -9.220 37.284 1.00 0.00 C ATOM 796 O ALA A 50 -9.028 -9.826 38.211 1.00 0.00 O ATOM 797 CB ALA A 50 -8.170 -8.962 35.207 1.00 0.00 C ATOM 0 H ALA A 50 -10.481 -8.869 34.254 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.160 -10.760 35.850 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.281 -9.126 35.816 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.998 -9.350 34.203 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.381 -7.894 35.152 1.00 0.00 H new ATOM 803 N ASP A 51 -10.326 -8.140 37.477 1.00 0.00 N ATOM 804 CA ASP A 51 -10.558 -7.619 38.827 1.00 0.00 C ATOM 805 C ASP A 51 -9.229 -7.358 39.534 1.00 0.00 C ATOM 806 O ASP A 51 -9.104 -7.586 40.737 1.00 0.00 O ATOM 807 CB ASP A 51 -11.376 -8.624 39.645 1.00 0.00 C ATOM 808 CG ASP A 51 -12.801 -8.699 39.110 1.00 0.00 C ATOM 809 OD1 ASP A 51 -13.190 -7.795 38.391 1.00 0.00 O ATOM 810 OD2 ASP A 51 -13.484 -9.658 39.431 1.00 0.00 O1- ATOM 0 H ASP A 51 -10.785 -7.617 36.731 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.109 -6.682 38.743 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.910 -9.608 39.598 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.388 -8.327 40.694 1.00 0.00 H new ATOM 815 N TYR A 52 -8.239 -6.877 38.782 1.00 0.00 N ATOM 816 CA TYR A 52 -6.928 -6.592 39.355 1.00 0.00 C ATOM 817 C TYR A 52 -6.175 -5.588 38.488 1.00 0.00 C ATOM 818 O TYR A 52 -6.620 -5.341 37.380 1.00 0.00 O ATOM 819 CB TYR A 52 -6.116 -7.887 39.470 1.00 0.00 C ATOM 820 CG TYR A 52 -4.725 -7.571 39.973 1.00 0.00 C ATOM 821 CD1 TYR A 52 -4.515 -7.321 41.334 1.00 0.00 C ATOM 822 CD2 TYR A 52 -3.649 -7.526 39.078 1.00 0.00 C ATOM 823 CE1 TYR A 52 -3.227 -7.029 41.801 1.00 0.00 C ATOM 824 CE2 TYR A 52 -2.362 -7.232 39.545 1.00 0.00 C ATOM 825 CZ TYR A 52 -2.151 -6.984 40.907 1.00 0.00 C ATOM 826 OH TYR A 52 -0.883 -6.695 41.367 1.00 0.00 O ATOM 827 OXT TYR A 52 -5.162 -5.081 38.945 1.00 0.00 O ATOM 0 H TYR A 52 -8.320 -6.679 37.785 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.068 -6.164 40.348 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.611 -8.579 40.151 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.059 -8.380 38.500 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.345 -7.353 42.024 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.812 -7.718 38.028 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.064 -6.838 42.852 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.532 -7.197 38.855 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.253 -6.705 40.617 1.00 0.00 H new TER 837 TYR A 52