USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0249) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00527) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -0.283 (180deg=-1.36!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 148:sc= -10.7! USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= -0.477 (180deg=-0.532) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc=-0.00467 (180deg=-0.128) USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.00371) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0767 (180deg=-0.489) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0267) USER MOD Single : A 59 LYS NZ :NH3+ -118:sc= -0.295 (180deg=-1.59!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.597 -7.351 9.281 1.00 0.00 N ATOM 2 CA GLY A 1 -15.386 -6.776 8.631 1.00 0.00 C ATOM 3 C GLY A 1 -15.618 -6.435 7.173 1.00 0.00 C ATOM 4 O GLY A 1 -15.117 -7.121 6.281 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.387 -7.567 10.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.376 -6.664 9.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.874 -8.224 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.082 -5.877 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.564 -7.487 8.708 1.00 0.00 H new ATOM 10 N SER A 2 -16.377 -5.372 6.928 1.00 0.00 N ATOM 11 CA SER A 2 -16.673 -4.941 5.567 1.00 0.00 C ATOM 12 C SER A 2 -15.940 -3.646 5.233 1.00 0.00 C ATOM 13 O SER A 2 -15.572 -3.409 4.083 1.00 0.00 O ATOM 14 CB SER A 2 -18.181 -4.749 5.387 1.00 0.00 C ATOM 15 OG SER A 2 -18.569 -4.984 4.046 1.00 0.00 O ATOM 0 H SER A 2 -16.798 -4.793 7.655 1.00 0.00 H new ATOM 0 HA SER A 2 -16.328 -5.718 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.719 -5.428 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.459 -3.736 5.677 1.00 0.00 H new ATOM 0 HG SER A 2 -19.537 -4.856 3.958 1.00 0.00 H new ATOM 21 N ARG A 3 -15.733 -2.812 6.246 1.00 0.00 N ATOM 22 CA ARG A 3 -15.044 -1.540 6.058 1.00 0.00 C ATOM 23 C ARG A 3 -13.534 -1.744 5.989 1.00 0.00 C ATOM 24 O ARG A 3 -12.843 -1.081 5.216 1.00 0.00 O ATOM 25 CB ARG A 3 -15.394 -0.573 7.191 1.00 0.00 C ATOM 26 CG ARG A 3 -14.911 -1.033 8.557 1.00 0.00 C ATOM 27 CD ARG A 3 -13.564 -0.421 8.902 1.00 0.00 C ATOM 28 NE ARG A 3 -13.596 1.038 8.849 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.234 1.798 9.737 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.884 1.242 10.752 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.218 3.119 9.612 1.00 0.00 N ATOM 0 H ARG A 3 -16.032 -2.993 7.204 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.376 -1.111 5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.960 0.403 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.475 -0.441 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.643 -0.757 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.833 -2.120 8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.266 -0.741 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.809 -0.792 8.209 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.101 1.502 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.897 0.227 10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.371 1.829 11.429 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.717 3.552 8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.707 3.702 10.292 1.00 0.00 H new ATOM 45 N VAL A 4 -13.027 -2.670 6.798 1.00 0.00 N ATOM 46 CA VAL A 4 -11.599 -2.964 6.821 1.00 0.00 C ATOM 47 C VAL A 4 -11.178 -3.706 5.558 1.00 0.00 C ATOM 48 O VAL A 4 -10.162 -3.379 4.947 1.00 0.00 O ATOM 49 CB VAL A 4 -11.217 -3.808 8.052 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.708 -3.973 8.139 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.767 -3.178 9.323 1.00 0.00 C ATOM 0 H VAL A 4 -13.584 -3.229 7.445 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.077 -2.009 6.873 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.661 -4.797 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.457 -4.572 9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.344 -4.473 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.239 -2.993 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.487 -3.788 10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.355 -2.176 9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.853 -3.118 9.259 1.00 0.00 H new ATOM 61 N LYS A 5 -11.967 -4.705 5.168 1.00 0.00 N ATOM 62 CA LYS A 5 -11.670 -5.484 3.971 1.00 0.00 C ATOM 63 C LYS A 5 -11.600 -4.577 2.750 1.00 0.00 C ATOM 64 O LYS A 5 -10.683 -4.680 1.939 1.00 0.00 O ATOM 65 CB LYS A 5 -12.726 -6.573 3.758 1.00 0.00 C ATOM 66 CG LYS A 5 -12.618 -7.274 2.411 1.00 0.00 C ATOM 67 CD LYS A 5 -11.200 -7.757 2.143 1.00 0.00 C ATOM 68 CE LYS A 5 -11.175 -9.217 1.721 1.00 0.00 C ATOM 69 NZ LYS A 5 -9.983 -9.929 2.257 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.812 -4.992 5.661 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.701 -5.963 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.636 -7.314 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.717 -6.128 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.303 -8.122 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.926 -6.591 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.748 -7.145 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.595 -7.627 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.081 -9.712 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.177 -9.281 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.003 -10.921 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.118 -9.473 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.994 -9.891 3.296 1.00 0.00 H new ATOM 83 N ALA A 6 -12.570 -3.675 2.634 1.00 0.00 N ATOM 84 CA ALA A 6 -12.607 -2.737 1.521 1.00 0.00 C ATOM 85 C ALA A 6 -11.315 -1.934 1.471 1.00 0.00 C ATOM 86 O ALA A 6 -10.810 -1.606 0.397 1.00 0.00 O ATOM 87 CB ALA A 6 -13.809 -1.813 1.648 1.00 0.00 C ATOM 0 H ALA A 6 -13.339 -3.575 3.297 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.703 -3.297 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.823 -1.117 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.725 -2.404 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.741 -1.254 2.581 1.00 0.00 H new ATOM 93 N LEU A 7 -10.784 -1.635 2.650 1.00 0.00 N ATOM 94 CA LEU A 7 -9.544 -0.883 2.773 1.00 0.00 C ATOM 95 C LEU A 7 -8.407 -1.606 2.058 1.00 0.00 C ATOM 96 O LEU A 7 -7.555 -0.983 1.426 1.00 0.00 O ATOM 97 CB LEU A 7 -9.201 -0.707 4.254 1.00 0.00 C ATOM 98 CG LEU A 7 -8.350 0.515 4.589 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.966 0.389 3.968 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.037 1.791 4.124 1.00 0.00 C ATOM 0 H LEU A 7 -11.198 -1.905 3.542 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.675 0.095 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.131 -0.647 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.676 -1.599 4.596 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.234 0.567 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.374 1.269 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.473 -0.502 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.059 0.309 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.414 2.651 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.187 1.751 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.002 1.887 4.621 1.00 0.00 H new ATOM 112 N GLU A 8 -8.407 -2.931 2.162 1.00 0.00 N ATOM 113 CA GLU A 8 -7.387 -3.755 1.528 1.00 0.00 C ATOM 114 C GLU A 8 -7.499 -3.698 0.004 1.00 0.00 C ATOM 115 O GLU A 8 -6.501 -3.817 -0.706 1.00 0.00 O ATOM 116 CB GLU A 8 -7.494 -5.206 2.024 1.00 0.00 C ATOM 117 CG GLU A 8 -8.385 -6.102 1.173 1.00 0.00 C ATOM 118 CD GLU A 8 -7.612 -6.833 0.092 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.085 -7.929 0.377 1.00 0.00 O ATOM 120 OE2 GLU A 8 -7.535 -6.310 -1.040 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.107 -3.459 2.683 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.410 -3.360 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.494 -5.639 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.876 -5.200 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.882 -6.830 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.166 -5.498 0.711 1.00 0.00 H new ATOM 127 N GLU A 9 -8.724 -3.536 -0.487 1.00 0.00 N ATOM 128 CA GLU A 9 -8.981 -3.484 -1.924 1.00 0.00 C ATOM 129 C GLU A 9 -8.357 -2.251 -2.578 1.00 0.00 C ATOM 130 O GLU A 9 -7.884 -2.321 -3.711 1.00 0.00 O ATOM 131 CB GLU A 9 -10.489 -3.504 -2.188 1.00 0.00 C ATOM 132 CG GLU A 9 -11.013 -4.863 -2.622 1.00 0.00 C ATOM 133 CD GLU A 9 -11.217 -4.957 -4.122 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.293 -4.540 -4.602 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -10.302 -5.448 -4.816 1.00 0.00 O ATOM 0 H GLU A 9 -9.558 -3.438 0.092 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.516 -4.364 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.012 -3.194 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.724 -2.770 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.313 -5.636 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.958 -5.062 -2.117 1.00 0.00 H new ATOM 142 N LYS A 10 -8.371 -1.125 -1.874 1.00 0.00 N ATOM 143 CA LYS A 10 -7.816 0.117 -2.412 1.00 0.00 C ATOM 144 C LYS A 10 -6.291 0.065 -2.490 1.00 0.00 C ATOM 145 O LYS A 10 -5.689 0.630 -3.403 1.00 0.00 O ATOM 146 CB LYS A 10 -8.260 1.314 -1.565 1.00 0.00 C ATOM 147 CG LYS A 10 -7.806 1.248 -0.114 1.00 0.00 C ATOM 148 CD LYS A 10 -7.416 2.620 0.412 1.00 0.00 C ATOM 149 CE LYS A 10 -6.091 3.087 -0.170 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.203 4.431 -0.801 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.758 -1.044 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.199 0.236 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.873 2.228 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.348 1.382 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.607 0.836 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.957 0.570 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.196 3.340 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.345 2.587 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.339 3.118 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.746 2.366 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.278 4.712 -1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.902 4.396 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.507 5.125 -0.088 1.00 0.00 H new ATOM 164 N VAL A 11 -5.673 -0.604 -1.525 1.00 0.00 N ATOM 165 CA VAL A 11 -4.218 -0.720 -1.478 1.00 0.00 C ATOM 166 C VAL A 11 -3.681 -1.537 -2.652 1.00 0.00 C ATOM 167 O VAL A 11 -2.613 -1.245 -3.191 1.00 0.00 O ATOM 168 CB VAL A 11 -3.764 -1.377 -0.159 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.248 -1.395 -0.055 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.377 -0.659 1.033 1.00 0.00 C ATOM 0 H VAL A 11 -6.157 -1.076 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.816 0.291 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.113 -2.409 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.953 -1.863 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.833 -1.961 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.869 -0.373 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.046 -1.136 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.062 0.384 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.464 -0.710 0.969 1.00 0.00 H new ATOM 180 N LYS A 12 -4.429 -2.564 -3.036 1.00 0.00 N ATOM 181 CA LYS A 12 -4.041 -3.438 -4.138 1.00 0.00 C ATOM 182 C LYS A 12 -4.126 -2.718 -5.473 1.00 0.00 C ATOM 183 O LYS A 12 -3.292 -2.923 -6.354 1.00 0.00 O ATOM 184 CB LYS A 12 -4.914 -4.691 -4.165 1.00 0.00 C ATOM 185 CG LYS A 12 -4.264 -5.859 -4.887 1.00 0.00 C ATOM 186 CD LYS A 12 -4.825 -7.186 -4.407 1.00 0.00 C ATOM 187 CE LYS A 12 -3.993 -8.356 -4.905 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.858 -9.420 -3.873 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.315 -2.814 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.004 -3.731 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.144 -4.988 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.862 -4.455 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.425 -5.761 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.187 -5.837 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.854 -7.197 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.852 -7.295 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.454 -8.774 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.003 -8.001 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.284 -10.200 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.395 -9.028 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.801 -9.777 -3.617 1.00 0.00 H new ATOM 202 N ALA A 13 -5.140 -1.876 -5.623 1.00 0.00 N ATOM 203 CA ALA A 13 -5.320 -1.135 -6.860 1.00 0.00 C ATOM 204 C ALA A 13 -4.066 -0.335 -7.166 1.00 0.00 C ATOM 205 O ALA A 13 -3.661 -0.208 -8.321 1.00 0.00 O ATOM 206 CB ALA A 13 -6.530 -0.219 -6.762 1.00 0.00 C ATOM 0 H ALA A 13 -5.844 -1.691 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.495 -1.840 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.649 0.328 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.423 -0.815 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.386 0.488 -5.945 1.00 0.00 H new ATOM 212 N LEU A 14 -3.431 0.171 -6.114 1.00 0.00 N ATOM 213 CA LEU A 14 -2.194 0.923 -6.275 1.00 0.00 C ATOM 214 C LEU A 14 -1.061 -0.012 -6.677 1.00 0.00 C ATOM 215 O LEU A 14 -0.133 0.380 -7.373 1.00 0.00 O ATOM 216 CB LEU A 14 -1.827 1.673 -4.996 1.00 0.00 C ATOM 217 CG LEU A 14 -0.982 2.928 -5.222 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.214 3.942 -4.113 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.494 2.567 -5.327 1.00 0.00 C ATOM 0 H LEU A 14 -3.749 0.075 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.350 1.660 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.744 1.955 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.283 0.997 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.290 3.383 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.603 4.826 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.266 4.226 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.940 3.502 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.079 3.472 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.817 2.085 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.643 1.885 -6.164 1.00 0.00 H new ATOM 231 N GLU A 15 -1.149 -1.254 -6.220 1.00 0.00 N ATOM 232 CA GLU A 15 -0.138 -2.263 -6.516 1.00 0.00 C ATOM 233 C GLU A 15 0.076 -2.419 -8.022 1.00 0.00 C ATOM 234 O GLU A 15 1.198 -2.611 -8.485 1.00 0.00 O ATOM 235 CB GLU A 15 -0.560 -3.604 -5.917 1.00 0.00 C ATOM 236 CG GLU A 15 0.547 -4.637 -5.912 1.00 0.00 C ATOM 237 CD GLU A 15 0.107 -5.968 -6.493 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.724 -5.964 -7.425 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.595 -7.014 -6.015 1.00 0.00 O ATOM 0 H GLU A 15 -1.916 -1.590 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 15 0.803 -1.936 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.902 -3.445 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.408 -3.994 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.395 -4.258 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.893 -4.788 -4.890 1.00 0.00 H new ATOM 246 N GLU A 16 -1.016 -2.351 -8.769 1.00 0.00 N ATOM 247 CA GLU A 16 -0.985 -2.497 -10.224 1.00 0.00 C ATOM 248 C GLU A 16 -0.242 -1.348 -10.891 1.00 0.00 C ATOM 249 O GLU A 16 0.405 -1.534 -11.918 1.00 0.00 O ATOM 250 CB GLU A 16 -2.409 -2.584 -10.777 1.00 0.00 C ATOM 251 CG GLU A 16 -3.203 -3.762 -10.233 1.00 0.00 C ATOM 252 CD GLU A 16 -3.732 -4.667 -11.329 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.428 -4.160 -12.233 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.450 -5.883 -11.283 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.949 -2.193 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.449 -3.419 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.938 -1.660 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.364 -2.658 -11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.570 -4.343 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.038 -3.389 -9.640 1.00 0.00 H new ATOM 261 N LYS A 17 -0.345 -0.161 -10.309 1.00 0.00 N ATOM 262 CA LYS A 17 0.319 1.014 -10.857 1.00 0.00 C ATOM 263 C LYS A 17 1.834 0.915 -10.684 1.00 0.00 C ATOM 264 O LYS A 17 2.596 1.457 -11.485 1.00 0.00 O ATOM 265 CB LYS A 17 -0.224 2.301 -10.214 1.00 0.00 C ATOM 266 CG LYS A 17 0.254 2.550 -8.791 1.00 0.00 C ATOM 267 CD LYS A 17 0.767 3.971 -8.608 1.00 0.00 C ATOM 268 CE LYS A 17 -0.268 5.004 -9.029 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.705 5.849 -7.884 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.881 0.014 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 17 0.104 1.055 -11.925 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.064 3.150 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.313 2.260 -10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.565 2.367 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.046 1.843 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.034 4.129 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.676 4.108 -9.194 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.150 5.639 -9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.133 4.498 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.670 6.196 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.692 5.284 -7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.059 6.658 -7.783 1.00 0.00 H new ATOM 283 N VAL A 18 2.262 0.232 -9.626 1.00 0.00 N ATOM 284 CA VAL A 18 3.688 0.077 -9.337 1.00 0.00 C ATOM 285 C VAL A 18 4.380 -0.829 -10.355 1.00 0.00 C ATOM 286 O VAL A 18 5.452 -0.502 -10.863 1.00 0.00 O ATOM 287 CB VAL A 18 3.901 -0.502 -7.925 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.378 -0.510 -7.559 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.096 0.284 -6.901 1.00 0.00 C ATOM 0 H VAL A 18 1.644 -0.223 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 18 4.130 1.071 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 18 3.548 -1.533 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.503 -0.923 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.927 -1.122 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.764 0.509 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.258 -0.138 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.416 1.326 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.036 0.228 -7.151 1.00 0.00 H new ATOM 299 N LYS A 19 3.762 -1.965 -10.652 1.00 0.00 N ATOM 300 CA LYS A 19 4.317 -2.913 -11.611 1.00 0.00 C ATOM 301 C LYS A 19 4.244 -2.365 -13.034 1.00 0.00 C ATOM 302 O LYS A 19 4.986 -2.797 -13.917 1.00 0.00 O ATOM 303 CB LYS A 19 3.573 -4.247 -11.528 1.00 0.00 C ATOM 304 CG LYS A 19 2.095 -4.141 -11.867 1.00 0.00 C ATOM 305 CD LYS A 19 1.552 -5.456 -12.403 1.00 0.00 C ATOM 306 CE LYS A 19 0.787 -6.220 -11.334 1.00 0.00 C ATOM 307 NZ LYS A 19 1.701 -6.880 -10.362 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.874 -2.253 -10.242 1.00 0.00 H new ATOM 0 HA LYS A 19 5.366 -3.070 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.043 -4.959 -12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.678 -4.650 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.536 -3.851 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.946 -3.355 -12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.897 -5.261 -13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.376 -6.068 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.125 -5.536 -10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.156 -6.972 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.142 -7.418 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.339 -7.526 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.262 -6.157 -9.867 1.00 0.00 H new ATOM 321 N ALA A 20 3.330 -1.428 -13.250 1.00 0.00 N ATOM 322 CA ALA A 20 3.132 -0.829 -14.562 1.00 0.00 C ATOM 323 C ALA A 20 4.286 0.091 -14.952 1.00 0.00 C ATOM 324 O ALA A 20 4.657 0.166 -16.124 1.00 0.00 O ATOM 325 CB ALA A 20 1.814 -0.071 -14.590 1.00 0.00 C ATOM 0 H ALA A 20 2.710 -1.064 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 20 3.102 -1.635 -15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.672 0.375 -15.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.994 -0.759 -14.381 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.830 0.715 -13.835 1.00 0.00 H new ATOM 331 N LEU A 21 4.850 0.796 -13.976 1.00 0.00 N ATOM 332 CA LEU A 21 5.956 1.708 -14.247 1.00 0.00 C ATOM 333 C LEU A 21 7.223 0.939 -14.611 1.00 0.00 C ATOM 334 O LEU A 21 7.412 -0.204 -14.193 1.00 0.00 O ATOM 335 CB LEU A 21 6.209 2.628 -13.048 1.00 0.00 C ATOM 336 CG LEU A 21 6.946 1.991 -11.865 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.309 2.639 -11.672 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.117 2.111 -10.593 1.00 0.00 C ATOM 0 H LEU A 21 4.562 0.754 -12.998 1.00 0.00 H new ATOM 0 HA LEU A 21 5.679 2.326 -15.101 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.784 3.489 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.250 3.005 -12.694 1.00 0.00 H new ATOM 0 HG LEU A 21 7.095 0.934 -12.083 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.817 2.173 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.907 2.505 -12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.181 3.704 -11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.656 1.653 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.938 3.164 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.163 1.602 -10.731 1.00 0.00 H new ATOM 350 N GLY A 22 8.082 1.574 -15.402 1.00 0.00 N ATOM 351 CA GLY A 22 9.320 0.942 -15.828 1.00 0.00 C ATOM 352 C GLY A 22 10.134 0.388 -14.675 1.00 0.00 C ATOM 353 O GLY A 22 10.615 1.140 -13.829 1.00 0.00 O ATOM 0 H GLY A 22 7.943 2.520 -15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.088 0.134 -16.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.922 1.668 -16.374 1.00 0.00 H new ATOM 357 N GLY A 23 10.292 -0.932 -14.648 1.00 0.00 N ATOM 358 CA GLY A 23 11.058 -1.570 -13.591 1.00 0.00 C ATOM 359 C GLY A 23 12.552 -1.374 -13.759 1.00 0.00 C ATOM 360 O GLY A 23 13.016 -0.982 -14.830 1.00 0.00 O ATOM 0 H GLY A 23 9.903 -1.572 -15.340 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.748 -1.166 -12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.834 -2.637 -13.577 1.00 0.00 H new ATOM 364 N GLY A 24 13.309 -1.647 -12.699 1.00 0.00 N ATOM 365 CA GLY A 24 14.751 -1.492 -12.761 1.00 0.00 C ATOM 366 C GLY A 24 15.415 -1.623 -11.404 1.00 0.00 C ATOM 367 O GLY A 24 16.311 -0.849 -11.067 1.00 0.00 O ATOM 0 H GLY A 24 12.950 -1.972 -11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.164 -2.242 -13.436 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.989 -0.516 -13.184 1.00 0.00 H new ATOM 371 N GLY A 25 14.978 -2.607 -10.623 1.00 0.00 N ATOM 372 CA GLY A 25 15.552 -2.819 -9.306 1.00 0.00 C ATOM 373 C GLY A 25 14.857 -2.011 -8.226 1.00 0.00 C ATOM 374 O GLY A 25 14.477 -2.549 -7.187 1.00 0.00 O ATOM 0 H GLY A 25 14.238 -3.260 -10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.494 -3.878 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.609 -2.554 -9.328 1.00 0.00 H new ATOM 378 N ARG A 26 14.694 -0.716 -8.472 1.00 0.00 N ATOM 379 CA ARG A 26 14.042 0.169 -7.513 1.00 0.00 C ATOM 380 C ARG A 26 12.553 -0.148 -7.404 1.00 0.00 C ATOM 381 O ARG A 26 12.000 -0.200 -6.310 1.00 0.00 O ATOM 382 CB ARG A 26 14.241 1.634 -7.931 1.00 0.00 C ATOM 383 CG ARG A 26 13.163 2.580 -7.419 1.00 0.00 C ATOM 384 CD ARG A 26 13.694 3.994 -7.252 1.00 0.00 C ATOM 385 NE ARG A 26 14.498 4.137 -6.040 1.00 0.00 N ATOM 386 CZ ARG A 26 15.354 5.133 -5.831 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.524 6.076 -6.750 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.045 5.187 -4.701 1.00 0.00 N ATOM 0 H ARG A 26 15.004 -0.255 -9.327 1.00 0.00 H new ATOM 0 HA ARG A 26 14.497 0.010 -6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.211 1.975 -7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.270 1.689 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.323 2.586 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.784 2.218 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.297 4.260 -8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.859 4.693 -7.218 1.00 0.00 H new ATOM 0 HE ARG A 26 14.397 3.431 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.997 6.039 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.182 6.837 -6.584 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.920 4.465 -3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.702 5.951 -4.541 1.00 0.00 H new ATOM 402 N ILE A 27 11.913 -0.331 -8.551 1.00 0.00 N ATOM 403 CA ILE A 27 10.482 -0.618 -8.603 1.00 0.00 C ATOM 404 C ILE A 27 10.135 -1.988 -8.021 1.00 0.00 C ATOM 405 O ILE A 27 9.092 -2.150 -7.395 1.00 0.00 O ATOM 406 CB ILE A 27 9.939 -0.546 -10.046 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.674 0.525 -10.864 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.444 -0.270 -10.032 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.933 1.814 -10.111 1.00 0.00 C ATOM 0 H ILE A 27 12.364 -0.286 -9.465 1.00 0.00 H new ATOM 0 HA ILE A 27 10.010 0.151 -7.992 1.00 0.00 H new ATOM 0 HB ILE A 27 10.116 -1.510 -10.522 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.627 0.117 -11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.089 0.750 -11.756 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.073 -0.222 -11.056 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.931 -1.070 -9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.254 0.680 -9.532 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.456 2.516 -10.761 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.984 2.248 -9.796 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.546 1.606 -9.234 1.00 0.00 H new ATOM 421 N GLU A 28 10.993 -2.977 -8.252 1.00 0.00 N ATOM 422 CA GLU A 28 10.744 -4.336 -7.767 1.00 0.00 C ATOM 423 C GLU A 28 10.696 -4.403 -6.240 1.00 0.00 C ATOM 424 O GLU A 28 9.897 -5.144 -5.670 1.00 0.00 O ATOM 425 CB GLU A 28 11.817 -5.293 -8.293 1.00 0.00 C ATOM 426 CG GLU A 28 13.236 -4.821 -8.027 1.00 0.00 C ATOM 427 CD GLU A 28 14.260 -5.925 -8.204 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.481 -6.690 -7.241 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 14.841 -6.025 -9.305 1.00 0.00 O ATOM 0 H GLU A 28 11.865 -2.867 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 28 9.767 -4.638 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.676 -6.271 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.681 -5.423 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.474 -3.998 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.301 -4.430 -7.012 1.00 0.00 H new ATOM 436 N GLU A 29 11.557 -3.636 -5.586 1.00 0.00 N ATOM 437 CA GLU A 29 11.616 -3.620 -4.127 1.00 0.00 C ATOM 438 C GLU A 29 10.407 -2.909 -3.522 1.00 0.00 C ATOM 439 O GLU A 29 9.894 -3.309 -2.477 1.00 0.00 O ATOM 440 CB GLU A 29 12.906 -2.946 -3.654 1.00 0.00 C ATOM 441 CG GLU A 29 13.098 -1.543 -4.205 1.00 0.00 C ATOM 442 CD GLU A 29 14.172 -0.769 -3.468 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.293 -1.301 -3.322 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.893 0.369 -3.036 1.00 0.00 O ATOM 0 H GLU A 29 12.226 -3.015 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 29 11.603 -4.655 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.905 -2.902 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.756 -3.562 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.360 -1.604 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.155 -1.000 -4.141 1.00 0.00 H new ATOM 451 N LEU A 30 9.978 -1.835 -4.172 1.00 0.00 N ATOM 452 CA LEU A 30 8.857 -1.035 -3.702 1.00 0.00 C ATOM 453 C LEU A 30 7.578 -1.860 -3.553 1.00 0.00 C ATOM 454 O LEU A 30 6.883 -1.760 -2.542 1.00 0.00 O ATOM 455 CB LEU A 30 8.626 0.111 -4.685 1.00 0.00 C ATOM 456 CG LEU A 30 8.412 1.486 -4.054 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.724 2.029 -3.510 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.817 2.447 -5.072 1.00 0.00 C ATOM 0 H LEU A 30 10.397 -1.495 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 30 9.104 -0.649 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.482 0.168 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.756 -0.128 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 30 7.712 1.384 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.555 3.009 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.114 1.348 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.445 2.120 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.670 3.423 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.496 2.546 -5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.858 2.062 -5.419 1.00 0.00 H new ATOM 470 N LYS A 31 7.266 -2.669 -4.560 1.00 0.00 N ATOM 471 CA LYS A 31 6.063 -3.501 -4.526 1.00 0.00 C ATOM 472 C LYS A 31 6.152 -4.563 -3.441 1.00 0.00 C ATOM 473 O LYS A 31 5.146 -4.914 -2.833 1.00 0.00 O ATOM 474 CB LYS A 31 5.781 -4.154 -5.880 1.00 0.00 C ATOM 475 CG LYS A 31 7.021 -4.441 -6.712 1.00 0.00 C ATOM 476 CD LYS A 31 6.713 -5.389 -7.858 1.00 0.00 C ATOM 477 CE LYS A 31 6.541 -6.818 -7.368 1.00 0.00 C ATOM 478 NZ LYS A 31 7.851 -7.491 -7.148 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.825 -2.768 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 31 5.231 -2.836 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.246 -5.089 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.118 -3.504 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.419 -3.507 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.794 -4.874 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.804 -5.065 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.519 -5.349 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.973 -6.817 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.960 -7.384 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.690 -8.463 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.383 -7.515 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.396 -6.966 -6.435 1.00 0.00 H new ATOM 492 N LYS A 32 7.353 -5.080 -3.203 1.00 0.00 N ATOM 493 CA LYS A 32 7.547 -6.108 -2.185 1.00 0.00 C ATOM 494 C LYS A 32 7.046 -5.609 -0.834 1.00 0.00 C ATOM 495 O LYS A 32 6.417 -6.349 -0.077 1.00 0.00 O ATOM 496 CB LYS A 32 9.024 -6.493 -2.090 1.00 0.00 C ATOM 497 CG LYS A 32 9.469 -7.464 -3.172 1.00 0.00 C ATOM 498 CD LYS A 32 10.934 -7.274 -3.525 1.00 0.00 C ATOM 499 CE LYS A 32 11.544 -8.550 -4.083 1.00 0.00 C ATOM 500 NZ LYS A 32 11.271 -9.724 -3.209 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.202 -4.807 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 32 6.975 -6.992 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.631 -5.590 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.213 -6.938 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.305 -8.487 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.858 -7.322 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.032 -6.473 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.486 -6.964 -2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.144 -8.738 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.621 -8.421 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.977 -10.465 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.325 -9.434 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.320 -10.094 -3.411 1.00 0.00 H new ATOM 514 N LYS A 33 7.312 -4.339 -0.554 1.00 0.00 N ATOM 515 CA LYS A 33 6.876 -3.715 0.686 1.00 0.00 C ATOM 516 C LYS A 33 5.356 -3.593 0.710 1.00 0.00 C ATOM 517 O LYS A 33 4.726 -3.715 1.760 1.00 0.00 O ATOM 518 CB LYS A 33 7.518 -2.337 0.836 1.00 0.00 C ATOM 519 CG LYS A 33 7.611 -1.866 2.276 1.00 0.00 C ATOM 520 CD LYS A 33 8.911 -2.311 2.925 1.00 0.00 C ATOM 521 CE LYS A 33 10.039 -1.328 2.654 1.00 0.00 C ATOM 522 NZ LYS A 33 10.405 -0.553 3.872 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.831 -3.718 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 33 7.189 -4.341 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.519 -2.362 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.942 -1.612 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.540 -0.779 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.767 -2.258 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.765 -2.411 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.188 -3.296 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.913 -1.869 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.739 -0.641 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.177 0.106 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.578 -0.016 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.715 -1.207 4.619 1.00 0.00 H new ATOM 536 N TYR A 34 4.779 -3.339 -0.461 1.00 0.00 N ATOM 537 CA TYR A 34 3.334 -3.184 -0.595 1.00 0.00 C ATOM 538 C TYR A 34 2.592 -4.416 -0.073 1.00 0.00 C ATOM 539 O TYR A 34 1.536 -4.293 0.546 1.00 0.00 O ATOM 540 CB TYR A 34 2.963 -2.916 -2.059 1.00 0.00 C ATOM 541 CG TYR A 34 2.186 -1.636 -2.257 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.863 -1.534 -1.848 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.777 -0.528 -2.850 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.151 -0.364 -2.026 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.072 0.646 -3.029 1.00 0.00 C ATOM 546 CZ TYR A 34 0.758 0.722 -2.615 1.00 0.00 C ATOM 547 OH TYR A 34 0.051 1.888 -2.786 1.00 0.00 O ATOM 0 H TYR A 34 5.294 -3.236 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 34 3.029 -2.330 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.875 -2.875 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.373 -3.752 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.383 -2.383 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.805 -0.585 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.878 -0.301 -1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.546 1.500 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 34 0.660 2.653 -2.716 1.00 0.00 H new ATOM 557 N GLU A 35 3.150 -5.601 -0.313 1.00 0.00 N ATOM 558 CA GLU A 35 2.532 -6.838 0.152 1.00 0.00 C ATOM 559 C GLU A 35 2.390 -6.811 1.669 1.00 0.00 C ATOM 560 O GLU A 35 1.387 -7.262 2.222 1.00 0.00 O ATOM 561 CB GLU A 35 3.367 -8.047 -0.277 1.00 0.00 C ATOM 562 CG GLU A 35 3.711 -8.052 -1.757 1.00 0.00 C ATOM 563 CD GLU A 35 4.282 -9.379 -2.218 1.00 0.00 C ATOM 564 OE1 GLU A 35 5.249 -9.859 -1.589 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 3.763 -9.938 -3.206 1.00 0.00 O ATOM 0 H GLU A 35 4.024 -5.729 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 35 1.542 -6.924 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.290 -8.065 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.821 -8.959 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.815 -7.825 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.431 -7.260 -1.962 1.00 0.00 H new ATOM 572 N GLU A 36 3.401 -6.258 2.329 1.00 0.00 N ATOM 573 CA GLU A 36 3.402 -6.139 3.781 1.00 0.00 C ATOM 574 C GLU A 36 2.207 -5.316 4.243 1.00 0.00 C ATOM 575 O GLU A 36 1.612 -5.593 5.283 1.00 0.00 O ATOM 576 CB GLU A 36 4.702 -5.493 4.263 1.00 0.00 C ATOM 577 CG GLU A 36 5.070 -5.861 5.692 1.00 0.00 C ATOM 578 CD GLU A 36 5.373 -4.646 6.548 1.00 0.00 C ATOM 579 OE1 GLU A 36 4.528 -3.727 6.595 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 6.455 -4.613 7.171 1.00 0.00 O ATOM 0 H GLU A 36 4.235 -5.883 1.878 1.00 0.00 H new ATOM 0 HA GLU A 36 3.329 -7.138 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.514 -5.790 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.609 -4.410 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.251 -6.422 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.939 -6.519 5.681 1.00 0.00 H new ATOM 587 N LEU A 37 1.876 -4.292 3.463 1.00 0.00 N ATOM 588 CA LEU A 37 0.767 -3.401 3.772 1.00 0.00 C ATOM 589 C LEU A 37 -0.549 -4.161 3.888 1.00 0.00 C ATOM 590 O LEU A 37 -1.327 -3.932 4.811 1.00 0.00 O ATOM 591 CB LEU A 37 0.655 -2.347 2.669 1.00 0.00 C ATOM 592 CG LEU A 37 0.811 -0.897 3.115 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.513 -0.349 3.624 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.894 -0.766 4.178 1.00 0.00 C ATOM 0 H LEU A 37 2.369 -4.058 2.601 1.00 0.00 H new ATOM 0 HA LEU A 37 0.963 -2.928 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.412 -2.558 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.316 -2.456 2.186 1.00 0.00 H new ATOM 0 HG LEU A 37 1.117 -0.308 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.382 0.687 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.256 -0.396 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.852 -0.945 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.985 0.278 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.628 -1.371 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.845 -1.111 3.773 1.00 0.00 H new ATOM 606 N LYS A 38 -0.796 -5.058 2.943 1.00 0.00 N ATOM 607 CA LYS A 38 -2.026 -5.846 2.939 1.00 0.00 C ATOM 608 C LYS A 38 -2.212 -6.583 4.264 1.00 0.00 C ATOM 609 O LYS A 38 -3.326 -6.678 4.781 1.00 0.00 O ATOM 610 CB LYS A 38 -2.008 -6.849 1.784 1.00 0.00 C ATOM 611 CG LYS A 38 -1.573 -6.246 0.458 1.00 0.00 C ATOM 612 CD LYS A 38 -2.168 -7.001 -0.720 1.00 0.00 C ATOM 613 CE LYS A 38 -3.386 -6.287 -1.282 1.00 0.00 C ATOM 614 NZ LYS A 38 -4.657 -6.935 -0.857 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.163 -5.260 2.169 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.864 -5.161 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.337 -7.670 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.004 -7.276 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.880 -5.201 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.485 -6.262 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.416 -7.109 -1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.448 -8.006 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.381 -5.248 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.330 -6.277 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.462 -6.427 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.667 -7.924 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.731 -6.907 0.180 1.00 0.00 H new ATOM 628 N LYS A 39 -1.117 -7.105 4.801 1.00 0.00 N ATOM 629 CA LYS A 39 -1.146 -7.839 6.061 1.00 0.00 C ATOM 630 C LYS A 39 -1.568 -6.943 7.225 1.00 0.00 C ATOM 631 O LYS A 39 -2.274 -7.385 8.129 1.00 0.00 O ATOM 632 CB LYS A 39 0.227 -8.452 6.347 1.00 0.00 C ATOM 633 CG LYS A 39 0.295 -9.945 6.073 1.00 0.00 C ATOM 634 CD LYS A 39 1.221 -10.651 7.052 1.00 0.00 C ATOM 635 CE LYS A 39 0.450 -11.259 8.213 1.00 0.00 C ATOM 636 NZ LYS A 39 0.511 -12.747 8.200 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.191 -7.033 4.380 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.885 -8.634 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.976 -7.945 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.487 -8.270 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.704 -10.374 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.644 -10.113 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.773 -11.434 6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.956 -9.942 7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.856 -10.887 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.590 -10.938 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.026 -13.124 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.100 -13.104 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.502 -13.054 8.270 1.00 0.00 H new ATOM 650 N LYS A 40 -1.119 -5.692 7.204 1.00 0.00 N ATOM 651 CA LYS A 40 -1.438 -4.740 8.266 1.00 0.00 C ATOM 652 C LYS A 40 -2.942 -4.501 8.365 1.00 0.00 C ATOM 653 O LYS A 40 -3.485 -4.338 9.457 1.00 0.00 O ATOM 654 CB LYS A 40 -0.712 -3.414 8.017 1.00 0.00 C ATOM 655 CG LYS A 40 0.218 -3.008 9.150 1.00 0.00 C ATOM 656 CD LYS A 40 1.677 -3.076 8.727 1.00 0.00 C ATOM 657 CE LYS A 40 2.575 -3.492 9.880 1.00 0.00 C ATOM 658 NZ LYS A 40 3.512 -4.582 9.489 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.532 -5.312 6.462 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.101 -5.165 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.136 -3.492 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.451 -2.627 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.021 -1.995 9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.056 -3.662 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.786 -3.785 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.993 -2.103 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.145 -2.630 10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.961 -3.824 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.844 -5.076 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.021 -5.256 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.326 -4.176 8.985 1.00 0.00 H new ATOM 672 N ILE A 41 -3.608 -4.484 7.217 1.00 0.00 N ATOM 673 CA ILE A 41 -5.048 -4.270 7.169 1.00 0.00 C ATOM 674 C ILE A 41 -5.783 -5.461 7.766 1.00 0.00 C ATOM 675 O ILE A 41 -6.820 -5.313 8.410 1.00 0.00 O ATOM 676 CB ILE A 41 -5.532 -4.043 5.724 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.733 -2.916 5.068 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.021 -3.723 5.700 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.677 -3.012 3.560 1.00 0.00 C ATOM 0 H ILE A 41 -3.172 -4.616 6.305 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.267 -3.377 7.754 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.370 -4.960 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.174 -1.959 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.717 -2.925 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.343 -3.566 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.579 -4.554 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.208 -2.820 6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.094 -2.180 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.208 -3.953 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.688 -2.972 3.155 1.00 0.00 H new ATOM 691 N GLU A 42 -5.225 -6.643 7.551 1.00 0.00 N ATOM 692 CA GLU A 42 -5.804 -7.873 8.066 1.00 0.00 C ATOM 693 C GLU A 42 -5.832 -7.856 9.592 1.00 0.00 C ATOM 694 O GLU A 42 -6.734 -8.418 10.213 1.00 0.00 O ATOM 695 CB GLU A 42 -5.004 -9.079 7.566 1.00 0.00 C ATOM 696 CG GLU A 42 -5.801 -10.001 6.655 1.00 0.00 C ATOM 697 CD GLU A 42 -5.984 -11.387 7.243 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.986 -12.134 7.324 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -7.125 -11.726 7.621 1.00 0.00 O ATOM 0 H GLU A 42 -4.365 -6.776 7.019 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.829 -7.952 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.124 -8.724 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.647 -9.649 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.779 -9.560 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.294 -10.082 5.693 1.00 0.00 H new ATOM 706 N GLU A 43 -4.828 -7.219 10.186 1.00 0.00 N ATOM 707 CA GLU A 43 -4.720 -7.140 11.639 1.00 0.00 C ATOM 708 C GLU A 43 -5.722 -6.151 12.231 1.00 0.00 C ATOM 709 O GLU A 43 -6.426 -6.472 13.189 1.00 0.00 O ATOM 710 CB GLU A 43 -3.300 -6.736 12.039 1.00 0.00 C ATOM 711 CG GLU A 43 -2.324 -7.902 12.084 1.00 0.00 C ATOM 712 CD GLU A 43 -1.039 -7.560 12.810 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.112 -7.174 13.995 1.00 0.00 O ATOM 714 OE2 GLU A 43 0.041 -7.677 12.193 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.076 -6.749 9.682 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.948 -8.128 12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.931 -5.991 11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.329 -6.260 13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.800 -8.750 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.090 -8.214 11.066 1.00 0.00 H new ATOM 721 N LEU A 44 -5.778 -4.948 11.668 1.00 0.00 N ATOM 722 CA LEU A 44 -6.692 -3.922 12.161 1.00 0.00 C ATOM 723 C LEU A 44 -8.138 -4.407 12.124 1.00 0.00 C ATOM 724 O LEU A 44 -8.606 -4.918 11.108 1.00 0.00 O ATOM 725 CB LEU A 44 -6.542 -2.629 11.349 1.00 0.00 C ATOM 726 CG LEU A 44 -7.314 -2.585 10.026 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.724 -2.062 10.248 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.579 -1.722 9.012 1.00 0.00 C ATOM 0 H LEU A 44 -5.205 -4.660 10.875 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.431 -3.715 13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.868 -1.793 11.967 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.484 -2.475 11.137 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.382 -3.599 9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.257 -2.038 9.297 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.250 -2.717 10.942 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.677 -1.055 10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.140 -1.701 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.482 -0.708 9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.588 -2.138 8.831 1.00 0.00 H new ATOM 740 N GLY A 45 -8.841 -4.243 13.242 1.00 0.00 N ATOM 741 CA GLY A 45 -10.226 -4.668 13.315 1.00 0.00 C ATOM 742 C GLY A 45 -11.158 -3.541 13.715 1.00 0.00 C ATOM 743 O GLY A 45 -10.723 -2.406 13.905 1.00 0.00 O ATOM 0 H GLY A 45 -8.475 -3.824 14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.533 -5.063 12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.316 -5.482 14.034 1.00 0.00 H new ATOM 747 N GLY A 46 -12.443 -3.856 13.846 1.00 0.00 N ATOM 748 CA GLY A 46 -13.418 -2.852 14.229 1.00 0.00 C ATOM 749 C GLY A 46 -13.435 -1.665 13.284 1.00 0.00 C ATOM 750 O GLY A 46 -13.889 -1.776 12.145 1.00 0.00 O ATOM 0 H GLY A 46 -12.826 -4.789 13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.409 -3.305 14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.199 -2.505 15.239 1.00 0.00 H new ATOM 754 N GLY A 47 -12.939 -0.527 13.758 1.00 0.00 N ATOM 755 CA GLY A 47 -12.909 0.668 12.935 1.00 0.00 C ATOM 756 C GLY A 47 -11.992 1.737 13.497 1.00 0.00 C ATOM 757 O GLY A 47 -11.679 1.733 14.687 1.00 0.00 O ATOM 0 H GLY A 47 -12.557 -0.411 14.697 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.581 0.405 11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.918 1.070 12.846 1.00 0.00 H new ATOM 761 N GLY A 48 -11.560 2.654 12.637 1.00 0.00 N ATOM 762 CA GLY A 48 -10.679 3.722 13.072 1.00 0.00 C ATOM 763 C GLY A 48 -9.258 3.540 12.577 1.00 0.00 C ATOM 764 O GLY A 48 -8.696 4.431 11.940 1.00 0.00 O ATOM 0 H GLY A 48 -11.804 2.676 11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.066 4.676 12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.678 3.767 14.161 1.00 0.00 H new ATOM 768 N GLU A 49 -8.675 2.382 12.870 1.00 0.00 N ATOM 769 CA GLU A 49 -7.310 2.085 12.450 1.00 0.00 C ATOM 770 C GLU A 49 -7.184 2.106 10.929 1.00 0.00 C ATOM 771 O GLU A 49 -6.093 2.289 10.391 1.00 0.00 O ATOM 772 CB GLU A 49 -6.876 0.720 12.990 1.00 0.00 C ATOM 773 CG GLU A 49 -5.453 0.341 12.613 1.00 0.00 C ATOM 774 CD GLU A 49 -4.739 -0.414 13.716 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.327 0.229 14.705 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -4.590 -1.648 13.591 1.00 0.00 O ATOM 0 H GLU A 49 -9.126 1.634 13.397 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.658 2.857 12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.967 0.723 14.076 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.558 -0.043 12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.471 -0.271 11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.892 1.244 12.374 1.00 0.00 H new ATOM 783 N VAL A 50 -8.307 1.915 10.240 1.00 0.00 N ATOM 784 CA VAL A 50 -8.318 1.911 8.780 1.00 0.00 C ATOM 785 C VAL A 50 -7.690 3.183 8.217 1.00 0.00 C ATOM 786 O VAL A 50 -7.107 3.170 7.133 1.00 0.00 O ATOM 787 CB VAL A 50 -9.749 1.774 8.227 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.226 0.334 8.331 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.698 2.712 8.956 1.00 0.00 C ATOM 0 H VAL A 50 -9.220 1.761 10.669 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.730 1.049 8.466 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.739 2.054 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.239 0.257 7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.562 -0.312 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.220 0.023 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.703 2.600 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.706 2.468 10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.366 3.742 8.823 1.00 0.00 H new ATOM 799 N LYS A 51 -7.812 4.279 8.958 1.00 0.00 N ATOM 800 CA LYS A 51 -7.256 5.558 8.530 1.00 0.00 C ATOM 801 C LYS A 51 -5.732 5.531 8.563 1.00 0.00 C ATOM 802 O LYS A 51 -5.071 6.168 7.743 1.00 0.00 O ATOM 803 CB LYS A 51 -7.776 6.686 9.423 1.00 0.00 C ATOM 804 CG LYS A 51 -9.137 7.215 9.004 1.00 0.00 C ATOM 805 CD LYS A 51 -10.254 6.284 9.445 1.00 0.00 C ATOM 806 CE LYS A 51 -11.619 6.930 9.276 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.630 5.968 8.756 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.291 4.308 9.858 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.574 5.737 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.836 6.327 10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.058 7.506 9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.293 8.203 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.166 7.332 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.212 5.363 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.108 6.008 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.954 7.326 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.538 7.776 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.564 6.198 9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.669 6.032 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.364 5.002 9.034 1.00 0.00 H new ATOM 821 N LYS A 52 -5.179 4.791 9.519 1.00 0.00 N ATOM 822 CA LYS A 52 -3.731 4.683 9.664 1.00 0.00 C ATOM 823 C LYS A 52 -3.115 3.923 8.493 1.00 0.00 C ATOM 824 O LYS A 52 -1.995 4.212 8.075 1.00 0.00 O ATOM 825 CB LYS A 52 -3.380 3.987 10.981 1.00 0.00 C ATOM 826 CG LYS A 52 -3.533 4.881 12.202 1.00 0.00 C ATOM 827 CD LYS A 52 -2.719 6.158 12.063 1.00 0.00 C ATOM 828 CE LYS A 52 -2.634 6.910 13.381 1.00 0.00 C ATOM 829 NZ LYS A 52 -1.934 6.119 14.430 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.712 4.257 10.205 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.319 5.692 9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.017 3.111 11.100 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.352 3.629 10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.585 5.132 12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.214 4.340 13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.715 5.915 11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.171 6.799 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.109 7.853 13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.639 7.157 13.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.597 6.757 15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.592 5.424 14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.123 5.623 14.008 1.00 0.00 H new ATOM 843 N VAL A 53 -3.850 2.945 7.974 1.00 0.00 N ATOM 844 CA VAL A 53 -3.376 2.138 6.855 1.00 0.00 C ATOM 845 C VAL A 53 -3.306 2.953 5.568 1.00 0.00 C ATOM 846 O VAL A 53 -2.389 2.789 4.769 1.00 0.00 O ATOM 847 CB VAL A 53 -4.279 0.912 6.622 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.672 -0.011 5.574 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.515 0.169 7.929 1.00 0.00 C ATOM 0 H VAL A 53 -4.779 2.692 8.311 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.374 1.800 7.119 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.242 1.259 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.325 -0.871 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.562 0.529 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.694 -0.353 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.155 -0.694 7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.560 -0.166 8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.999 0.835 8.644 1.00 0.00 H new ATOM 859 N GLU A 54 -4.286 3.822 5.366 1.00 0.00 N ATOM 860 CA GLU A 54 -4.334 4.655 4.169 1.00 0.00 C ATOM 861 C GLU A 54 -3.175 5.651 4.137 1.00 0.00 C ATOM 862 O GLU A 54 -2.689 6.014 3.069 1.00 0.00 O ATOM 863 CB GLU A 54 -5.665 5.406 4.100 1.00 0.00 C ATOM 864 CG GLU A 54 -6.877 4.519 4.339 1.00 0.00 C ATOM 865 CD GLU A 54 -8.029 4.846 3.409 1.00 0.00 C ATOM 866 OE1 GLU A 54 -7.824 4.823 2.177 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.137 5.124 3.913 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.059 3.970 6.014 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.243 3.999 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.660 6.207 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.757 5.877 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.591 3.476 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.206 4.630 5.372 1.00 0.00 H new ATOM 874 N GLU A 55 -2.759 6.107 5.313 1.00 0.00 N ATOM 875 CA GLU A 55 -1.675 7.083 5.425 1.00 0.00 C ATOM 876 C GLU A 55 -0.306 6.497 5.068 1.00 0.00 C ATOM 877 O GLU A 55 0.510 7.164 4.436 1.00 0.00 O ATOM 878 CB GLU A 55 -1.634 7.654 6.844 1.00 0.00 C ATOM 879 CG GLU A 55 -0.590 8.744 7.031 1.00 0.00 C ATOM 880 CD GLU A 55 -0.693 9.424 8.382 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.828 9.607 8.870 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.362 9.771 8.953 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.156 5.817 6.207 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.885 7.873 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.616 8.056 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.433 6.845 7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.405 8.312 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.703 9.489 6.244 1.00 0.00 H new ATOM 889 N GLU A 56 -0.042 5.268 5.501 1.00 0.00 N ATOM 890 CA GLU A 56 1.250 4.631 5.243 1.00 0.00 C ATOM 891 C GLU A 56 1.452 4.292 3.765 1.00 0.00 C ATOM 892 O GLU A 56 2.561 4.406 3.243 1.00 0.00 O ATOM 893 CB GLU A 56 1.404 3.371 6.101 1.00 0.00 C ATOM 894 CG GLU A 56 0.496 2.229 5.684 1.00 0.00 C ATOM 895 CD GLU A 56 0.043 1.386 6.860 1.00 0.00 C ATOM 896 OE1 GLU A 56 -0.299 1.969 7.911 1.00 0.00 O ATOM 897 OE2 GLU A 56 0.030 0.144 6.731 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.699 4.694 6.029 1.00 0.00 H new ATOM 0 HA GLU A 56 2.021 5.352 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.440 3.035 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.199 3.624 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.378 2.633 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.020 1.596 4.968 1.00 0.00 H new ATOM 904 N VAL A 57 0.387 3.866 3.093 1.00 0.00 N ATOM 905 CA VAL A 57 0.472 3.506 1.680 1.00 0.00 C ATOM 906 C VAL A 57 0.694 4.737 0.801 1.00 0.00 C ATOM 907 O VAL A 57 1.397 4.672 -0.208 1.00 0.00 O ATOM 908 CB VAL A 57 -0.784 2.742 1.204 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.957 3.687 0.984 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.475 1.955 -0.062 1.00 0.00 C ATOM 0 H VAL A 57 -0.542 3.762 3.501 1.00 0.00 H new ATOM 0 HA VAL A 57 1.333 2.845 1.580 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.072 2.041 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.825 3.118 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.195 4.196 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.693 4.425 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.369 1.422 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.156 2.640 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.322 1.239 0.140 1.00 0.00 H new ATOM 920 N LYS A 58 0.091 5.856 1.190 1.00 0.00 N ATOM 921 CA LYS A 58 0.221 7.102 0.438 1.00 0.00 C ATOM 922 C LYS A 58 1.691 7.464 0.246 1.00 0.00 C ATOM 923 O LYS A 58 2.070 8.040 -0.770 1.00 0.00 O ATOM 924 CB LYS A 58 -0.531 8.240 1.142 1.00 0.00 C ATOM 925 CG LYS A 58 0.215 8.851 2.320 1.00 0.00 C ATOM 926 CD LYS A 58 0.754 10.233 1.985 1.00 0.00 C ATOM 927 CE LYS A 58 1.584 10.802 3.126 1.00 0.00 C ATOM 928 NZ LYS A 58 2.925 11.255 2.665 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.494 5.927 2.023 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.225 6.956 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.742 9.024 0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.492 7.863 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.453 8.919 3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.039 8.198 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.364 10.178 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.076 10.905 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.053 11.640 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.703 10.045 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.484 11.573 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.415 10.467 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.814 12.042 1.994 1.00 0.00 H new ATOM 942 N LYS A 59 2.511 7.123 1.232 1.00 0.00 N ATOM 943 CA LYS A 59 3.940 7.404 1.176 1.00 0.00 C ATOM 944 C LYS A 59 4.622 6.563 0.097 1.00 0.00 C ATOM 945 O LYS A 59 5.541 7.027 -0.574 1.00 0.00 O ATOM 946 CB LYS A 59 4.588 7.132 2.535 1.00 0.00 C ATOM 947 CG LYS A 59 3.880 7.817 3.694 1.00 0.00 C ATOM 948 CD LYS A 59 4.455 7.384 5.033 1.00 0.00 C ATOM 949 CE LYS A 59 5.898 7.834 5.191 1.00 0.00 C ATOM 950 NZ LYS A 59 6.858 6.821 4.669 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.209 6.649 2.084 1.00 0.00 H new ATOM 0 HA LYS A 59 4.067 8.457 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.602 6.057 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.626 7.464 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.972 8.898 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.816 7.583 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.853 7.800 5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.399 6.299 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.044 8.777 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.106 8.022 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.464 6.485 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.332 6.018 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.449 7.252 3.929 1.00 0.00 H new ATOM 964 N LEU A 60 4.175 5.318 -0.047 1.00 0.00 N ATOM 965 CA LEU A 60 4.747 4.394 -1.026 1.00 0.00 C ATOM 966 C LEU A 60 4.644 4.934 -2.453 1.00 0.00 C ATOM 967 O LEU A 60 5.605 4.866 -3.217 1.00 0.00 O ATOM 968 CB LEU A 60 4.034 3.041 -0.934 1.00 0.00 C ATOM 969 CG LEU A 60 4.833 1.836 -1.436 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.366 2.089 -2.838 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.971 1.512 -0.480 1.00 0.00 C ATOM 0 H LEU A 60 3.414 4.923 0.505 1.00 0.00 H new ATOM 0 HA LEU A 60 5.805 4.277 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.761 2.865 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.106 3.101 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 60 4.164 0.976 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.931 1.220 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.532 2.266 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.017 2.963 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.527 0.653 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.638 2.371 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.564 1.280 0.504 1.00 0.00 H new ATOM 983 N GLU A 61 3.478 5.460 -2.811 1.00 0.00 N ATOM 984 CA GLU A 61 3.270 5.998 -4.153 1.00 0.00 C ATOM 985 C GLU A 61 4.085 7.269 -4.369 1.00 0.00 C ATOM 986 O GLU A 61 4.552 7.537 -5.476 1.00 0.00 O ATOM 987 CB GLU A 61 1.782 6.266 -4.413 1.00 0.00 C ATOM 988 CG GLU A 61 1.111 7.128 -3.357 1.00 0.00 C ATOM 989 CD GLU A 61 1.371 8.610 -3.554 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.972 8.976 -4.586 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 0.971 9.403 -2.676 1.00 0.00 O ATOM 0 H GLU A 61 2.667 5.526 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 61 3.614 5.248 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.676 6.751 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.258 5.312 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.036 6.947 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.467 6.829 -2.371 1.00 0.00 H new ATOM 998 N GLU A 62 4.252 8.048 -3.306 1.00 0.00 N ATOM 999 CA GLU A 62 5.011 9.293 -3.372 1.00 0.00 C ATOM 1000 C GLU A 62 6.430 9.037 -3.866 1.00 0.00 C ATOM 1001 O GLU A 62 6.986 9.827 -4.629 1.00 0.00 O ATOM 1002 CB GLU A 62 5.054 9.965 -1.999 1.00 0.00 C ATOM 1003 CG GLU A 62 3.723 10.559 -1.569 1.00 0.00 C ATOM 1004 CD GLU A 62 3.398 11.849 -2.296 1.00 0.00 C ATOM 1005 OE1 GLU A 62 2.804 11.779 -3.392 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.736 12.929 -1.768 1.00 0.00 O1- ATOM 0 H GLU A 62 3.870 7.838 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 62 4.510 9.956 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.373 9.234 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.806 10.754 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.930 9.834 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.743 10.746 -0.495 1.00 0.00 H new ATOM 1013 N GLU A 63 7.006 7.922 -3.433 1.00 0.00 N ATOM 1014 CA GLU A 63 8.354 7.552 -3.839 1.00 0.00 C ATOM 1015 C GLU A 63 8.380 7.234 -5.325 1.00 0.00 C ATOM 1016 O GLU A 63 9.372 7.478 -6.010 1.00 0.00 O ATOM 1017 CB GLU A 63 8.845 6.344 -3.039 1.00 0.00 C ATOM 1018 CG GLU A 63 8.626 6.474 -1.541 1.00 0.00 C ATOM 1019 CD GLU A 63 9.634 7.394 -0.881 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.399 8.620 -0.868 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.660 6.887 -0.380 1.00 0.00 O ATOM 0 H GLU A 63 6.559 7.259 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 63 9.018 8.393 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.333 5.450 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.908 6.200 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.620 6.851 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.686 5.487 -1.082 1.00 0.00 H new ATOM 1028 N ILE A 64 7.273 6.685 -5.814 1.00 0.00 N ATOM 1029 CA ILE A 64 7.152 6.329 -7.223 1.00 0.00 C ATOM 1030 C ILE A 64 7.254 7.563 -8.116 1.00 0.00 C ATOM 1031 O ILE A 64 7.758 7.491 -9.237 1.00 0.00 O ATOM 1032 CB ILE A 64 5.818 5.610 -7.506 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.651 4.410 -6.572 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.749 5.168 -8.962 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.346 3.671 -6.766 1.00 0.00 C ATOM 0 H ILE A 64 6.446 6.477 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 64 7.977 5.654 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 64 5.002 6.308 -7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.478 3.718 -6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.716 4.752 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.801 4.662 -9.144 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.826 6.040 -9.611 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.571 4.485 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.296 2.833 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.513 4.348 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.287 3.298 -7.789 1.00 0.00 H new ATOM 1047 N LYS A 65 6.768 8.694 -7.616 1.00 0.00 N ATOM 1048 CA LYS A 65 6.804 9.940 -8.373 1.00 0.00 C ATOM 1049 C LYS A 65 8.225 10.492 -8.443 1.00 0.00 C ATOM 1050 O LYS A 65 8.584 11.192 -9.390 1.00 0.00 O ATOM 1051 CB LYS A 65 5.873 10.975 -7.737 1.00 0.00 C ATOM 1052 CG LYS A 65 4.436 10.500 -7.605 1.00 0.00 C ATOM 1053 CD LYS A 65 3.596 11.484 -6.805 1.00 0.00 C ATOM 1054 CE LYS A 65 3.242 12.716 -7.626 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.776 12.827 -7.856 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.345 8.774 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 65 6.464 9.731 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.253 11.235 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.892 11.886 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.002 10.371 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.417 9.524 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.682 10.994 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.142 11.786 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.598 13.609 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.758 12.674 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.576 13.679 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.440 11.987 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.285 12.893 -6.942 1.00 0.00 H new ATOM 1069 N LYS A 66 9.030 10.175 -7.433 1.00 0.00 N ATOM 1070 CA LYS A 66 10.411 10.640 -7.379 1.00 0.00 C ATOM 1071 C LYS A 66 11.322 9.778 -8.253 1.00 0.00 C ATOM 1072 O LYS A 66 12.423 10.193 -8.610 1.00 0.00 O ATOM 1073 CB LYS A 66 10.915 10.631 -5.935 1.00 0.00 C ATOM 1074 CG LYS A 66 10.216 11.641 -5.041 1.00 0.00 C ATOM 1075 CD LYS A 66 11.155 12.760 -4.618 1.00 0.00 C ATOM 1076 CE LYS A 66 11.825 12.454 -3.287 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.341 13.353 -2.202 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.749 9.598 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 66 10.436 11.660 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.779 9.633 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.986 10.835 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.360 12.063 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.828 11.137 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.916 12.906 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.598 13.694 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.631 11.417 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.905 12.560 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.821 13.112 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.549 14.341 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.315 13.234 -2.085 1.00 0.00 H new ATOM 1091 N LEU A 67 10.858 8.578 -8.593 1.00 0.00 N ATOM 1092 CA LEU A 67 11.639 7.667 -9.422 1.00 0.00 C ATOM 1093 C LEU A 67 11.186 7.729 -10.877 1.00 0.00 C ATOM 1094 O LEU A 67 10.091 8.274 -11.131 1.00 0.00 O ATOM 1095 CB LEU A 67 11.527 6.232 -8.893 1.00 0.00 C ATOM 1096 CG LEU A 67 10.111 5.655 -8.853 1.00 0.00 C ATOM 1097 CD1 LEU A 67 9.624 5.313 -10.253 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.064 4.422 -7.961 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.929 7.234 -11.749 1.00 0.00 O ATOM 0 H LEU A 67 9.948 8.216 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 67 12.682 7.979 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.147 5.585 -9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.942 6.201 -7.886 1.00 0.00 H new ATOM 0 HG LEU A 67 9.448 6.413 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.615 4.905 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.618 6.214 -10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.290 4.575 -10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.049 4.024 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.744 3.665 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.365 4.693 -6.949 1.00 0.00 H new TER 1111 LEU A 67