USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 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+ 141:sc= 0.432 (180deg=-0.489) USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.711) USER MOD Single : A 31 LYS NZ :NH3+ -128:sc= -0.351 (180deg=-1.42!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 140:sc= -10.3! USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= 0.9 (180deg=0.708) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0132) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0.216 (180deg=0.158) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.336 -6.354 8.731 1.00 0.00 N ATOM 2 CA GLY A 1 -15.268 -5.482 8.170 1.00 0.00 C ATOM 3 C GLY A 1 -15.691 -4.802 6.883 1.00 0.00 C ATOM 4 O GLY A 1 -15.002 -4.897 5.866 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.998 -6.796 9.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.180 -5.782 8.934 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.577 -7.095 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.998 -4.724 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.375 -6.079 7.985 1.00 0.00 H new ATOM 10 N SER A 2 -16.827 -4.114 6.925 1.00 0.00 N ATOM 11 CA SER A 2 -17.343 -3.415 5.753 1.00 0.00 C ATOM 12 C SER A 2 -16.483 -2.201 5.409 1.00 0.00 C ATOM 13 O SER A 2 -16.538 -1.688 4.291 1.00 0.00 O ATOM 14 CB SER A 2 -18.788 -2.977 5.991 1.00 0.00 C ATOM 15 OG SER A 2 -19.699 -3.990 5.600 1.00 0.00 O ATOM 0 H SER A 2 -17.408 -4.025 7.758 1.00 0.00 H new ATOM 0 HA SER A 2 -17.310 -4.106 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.931 -2.742 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.992 -2.064 5.431 1.00 0.00 H new ATOM 0 HG SER A 2 -20.616 -3.686 5.764 1.00 0.00 H new ATOM 21 N ARG A 3 -15.692 -1.740 6.374 1.00 0.00 N ATOM 22 CA ARG A 3 -14.827 -0.584 6.165 1.00 0.00 C ATOM 23 C ARG A 3 -13.363 -1.003 6.070 1.00 0.00 C ATOM 24 O ARG A 3 -12.591 -0.426 5.303 1.00 0.00 O ATOM 25 CB ARG A 3 -15.010 0.428 7.299 1.00 0.00 C ATOM 26 CG ARG A 3 -14.659 -0.123 8.672 1.00 0.00 C ATOM 27 CD ARG A 3 -13.271 0.312 9.111 1.00 0.00 C ATOM 28 NE ARG A 3 -13.248 1.704 9.553 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.794 2.130 10.689 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.404 1.276 11.502 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.728 3.414 11.016 1.00 0.00 N ATOM 0 H ARG A 3 -15.632 -2.149 7.307 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.111 -0.118 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.390 1.301 7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.046 0.768 7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.395 0.217 9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.710 -1.212 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.929 -0.331 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.572 0.182 8.285 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.786 2.390 8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.456 0.287 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.821 1.609 12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.259 4.075 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.147 3.741 11.887 1.00 0.00 H new ATOM 45 N VAL A 4 -12.985 -2.007 6.855 1.00 0.00 N ATOM 46 CA VAL A 4 -11.612 -2.500 6.857 1.00 0.00 C ATOM 47 C VAL A 4 -11.298 -3.269 5.578 1.00 0.00 C ATOM 48 O VAL A 4 -10.246 -3.074 4.969 1.00 0.00 O ATOM 49 CB VAL A 4 -11.344 -3.410 8.071 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.871 -3.789 8.141 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.788 -2.731 9.357 1.00 0.00 C ATOM 0 H VAL A 4 -13.609 -2.495 7.497 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.964 -1.626 6.917 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.925 -4.324 7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.701 -4.432 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.588 -4.320 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.267 -2.887 8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.591 -3.389 10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.237 -1.800 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.855 -2.517 9.305 1.00 0.00 H new ATOM 61 N LYS A 5 -12.214 -4.143 5.170 1.00 0.00 N ATOM 62 CA LYS A 5 -12.022 -4.934 3.959 1.00 0.00 C ATOM 63 C LYS A 5 -11.881 -4.029 2.742 1.00 0.00 C ATOM 64 O LYS A 5 -11.013 -4.240 1.900 1.00 0.00 O ATOM 65 CB LYS A 5 -13.187 -5.908 3.759 1.00 0.00 C ATOM 66 CG LYS A 5 -13.201 -6.573 2.388 1.00 0.00 C ATOM 67 CD LYS A 5 -11.863 -7.220 2.065 1.00 0.00 C ATOM 68 CE LYS A 5 -12.017 -8.703 1.762 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.866 -9.497 2.273 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.092 -4.321 5.658 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.103 -5.509 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.139 -6.680 4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.125 -5.373 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.987 -7.327 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.440 -5.831 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.413 -6.718 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.182 -7.089 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.940 -9.071 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.107 -8.846 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.009 -10.502 2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.988 -9.163 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.795 -9.381 3.304 1.00 0.00 H new ATOM 83 N ALA A 6 -12.734 -3.015 2.661 1.00 0.00 N ATOM 84 CA ALA A 6 -12.695 -2.074 1.549 1.00 0.00 C ATOM 85 C ALA A 6 -11.317 -1.433 1.448 1.00 0.00 C ATOM 86 O ALA A 6 -10.817 -1.168 0.355 1.00 0.00 O ATOM 87 CB ALA A 6 -13.769 -1.012 1.716 1.00 0.00 C ATOM 0 H ALA A 6 -13.460 -2.824 3.351 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.891 -2.617 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.727 -0.317 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.749 -1.487 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.602 -0.469 2.646 1.00 0.00 H new ATOM 93 N LEU A 7 -10.708 -1.198 2.604 1.00 0.00 N ATOM 94 CA LEU A 7 -9.383 -0.600 2.675 1.00 0.00 C ATOM 95 C LEU A 7 -8.366 -1.454 1.925 1.00 0.00 C ATOM 96 O LEU A 7 -7.506 -0.937 1.215 1.00 0.00 O ATOM 97 CB LEU A 7 -8.966 -0.466 4.140 1.00 0.00 C ATOM 98 CG LEU A 7 -8.251 0.833 4.501 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.870 0.879 3.865 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.080 2.035 4.075 1.00 0.00 C ATOM 0 H LEU A 7 -11.117 -1.416 3.513 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.416 0.385 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.856 -0.556 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.314 -1.302 4.392 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.129 0.869 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.376 1.813 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.276 0.038 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.966 0.819 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.554 2.952 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.236 2.006 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.045 2.010 4.582 1.00 0.00 H new ATOM 112 N GLU A 8 -8.474 -2.764 2.098 1.00 0.00 N ATOM 113 CA GLU A 8 -7.570 -3.709 1.452 1.00 0.00 C ATOM 114 C GLU A 8 -7.713 -3.673 -0.072 1.00 0.00 C ATOM 115 O GLU A 8 -6.751 -3.915 -0.800 1.00 0.00 O ATOM 116 CB GLU A 8 -7.828 -5.128 1.983 1.00 0.00 C ATOM 117 CG GLU A 8 -8.821 -5.940 1.159 1.00 0.00 C ATOM 118 CD GLU A 8 -8.152 -6.725 0.049 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.028 -6.352 -0.347 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.752 -7.713 -0.424 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.185 -3.201 2.685 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.548 -3.417 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.881 -5.666 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.196 -5.058 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.355 -6.628 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.564 -5.269 0.728 1.00 0.00 H new ATOM 127 N GLU A 9 -8.923 -3.390 -0.543 1.00 0.00 N ATOM 128 CA GLU A 9 -9.201 -3.345 -1.977 1.00 0.00 C ATOM 129 C GLU A 9 -8.480 -2.186 -2.669 1.00 0.00 C ATOM 130 O GLU A 9 -8.022 -2.324 -3.800 1.00 0.00 O ATOM 131 CB GLU A 9 -10.709 -3.234 -2.214 1.00 0.00 C ATOM 132 CG GLU A 9 -11.331 -4.504 -2.773 1.00 0.00 C ATOM 133 CD GLU A 9 -11.452 -4.477 -4.284 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.098 -3.548 -4.811 1.00 0.00 O ATOM 135 OE2 GLU A 9 -10.900 -5.386 -4.940 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.730 -3.188 0.048 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.825 -4.272 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.199 -2.983 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.901 -2.411 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.727 -5.361 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.320 -4.643 -2.335 1.00 0.00 H new ATOM 142 N LYS A 10 -8.401 -1.045 -1.995 1.00 0.00 N ATOM 143 CA LYS A 10 -7.752 0.136 -2.563 1.00 0.00 C ATOM 144 C LYS A 10 -6.232 -0.018 -2.621 1.00 0.00 C ATOM 145 O LYS A 10 -5.584 0.485 -3.539 1.00 0.00 O ATOM 146 CB LYS A 10 -8.123 1.386 -1.759 1.00 0.00 C ATOM 147 CG LYS A 10 -7.691 1.332 -0.302 1.00 0.00 C ATOM 148 CD LYS A 10 -7.289 2.705 0.209 1.00 0.00 C ATOM 149 CE LYS A 10 -8.462 3.429 0.850 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.930 4.573 0.020 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.777 -0.910 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.112 0.244 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.669 2.257 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.203 1.527 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.506 0.940 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.853 0.643 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.483 2.602 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.900 3.301 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.284 2.728 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.170 3.791 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.731 5.040 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.154 5.255 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.233 4.225 -0.912 1.00 0.00 H new ATOM 164 N VAL A 11 -5.668 -0.696 -1.629 1.00 0.00 N ATOM 165 CA VAL A 11 -4.224 -0.895 -1.554 1.00 0.00 C ATOM 166 C VAL A 11 -3.697 -1.743 -2.711 1.00 0.00 C ATOM 167 O VAL A 11 -2.645 -1.449 -3.277 1.00 0.00 O ATOM 168 CB VAL A 11 -3.827 -1.566 -0.224 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.313 -1.633 -0.082 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.448 -0.826 0.952 1.00 0.00 C ATOM 0 H VAL A 11 -6.190 -1.119 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.775 0.096 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.210 -2.587 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.057 -2.110 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.896 -2.212 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.901 -0.624 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.157 -1.313 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.098 0.206 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.534 -0.840 0.859 1.00 0.00 H new ATOM 180 N LYS A 12 -4.424 -2.802 -3.045 1.00 0.00 N ATOM 181 CA LYS A 12 -4.022 -3.702 -4.122 1.00 0.00 C ATOM 182 C LYS A 12 -4.134 -3.033 -5.481 1.00 0.00 C ATOM 183 O LYS A 12 -3.282 -3.221 -6.349 1.00 0.00 O ATOM 184 CB LYS A 12 -4.863 -4.974 -4.098 1.00 0.00 C ATOM 185 CG LYS A 12 -4.062 -6.232 -4.388 1.00 0.00 C ATOM 186 CD LYS A 12 -4.505 -7.381 -3.501 1.00 0.00 C ATOM 187 CE LYS A 12 -4.038 -8.721 -4.045 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.042 -9.328 -4.963 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.297 -3.060 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.976 -3.961 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.335 -5.070 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.664 -4.885 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.183 -6.510 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.001 -6.035 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.109 -7.238 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.592 -7.380 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.095 -8.589 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.845 -9.402 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.686 -10.241 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.935 -9.478 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.207 -8.690 -5.767 1.00 0.00 H new ATOM 202 N ALA A 13 -5.186 -2.250 -5.664 1.00 0.00 N ATOM 203 CA ALA A 13 -5.390 -1.557 -6.926 1.00 0.00 C ATOM 204 C ALA A 13 -4.175 -0.701 -7.241 1.00 0.00 C ATOM 205 O ALA A 13 -3.760 -0.583 -8.394 1.00 0.00 O ATOM 206 CB ALA A 13 -6.649 -0.704 -6.869 1.00 0.00 C ATOM 0 H ALA A 13 -5.906 -2.080 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.518 -2.293 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.786 -0.193 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.511 -1.341 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.553 0.034 -6.072 1.00 0.00 H new ATOM 212 N LEU A 14 -3.590 -0.129 -6.195 1.00 0.00 N ATOM 213 CA LEU A 14 -2.395 0.691 -6.347 1.00 0.00 C ATOM 214 C LEU A 14 -1.195 -0.180 -6.699 1.00 0.00 C ATOM 215 O LEU A 14 -0.274 0.259 -7.378 1.00 0.00 O ATOM 216 CB LEU A 14 -2.113 1.484 -5.072 1.00 0.00 C ATOM 217 CG LEU A 14 -1.443 2.841 -5.299 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.800 3.807 -4.180 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.067 2.682 -5.414 1.00 0.00 C ATOM 0 H LEU A 14 -3.923 -0.218 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.569 1.397 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.053 1.642 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.477 0.884 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.813 3.254 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.314 4.766 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.881 3.947 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.461 3.401 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.524 3.658 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.458 2.245 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.301 2.028 -6.254 1.00 0.00 H new ATOM 231 N GLU A 15 -1.212 -1.415 -6.211 1.00 0.00 N ATOM 232 CA GLU A 15 -0.126 -2.360 -6.450 1.00 0.00 C ATOM 233 C GLU A 15 0.136 -2.559 -7.942 1.00 0.00 C ATOM 234 O GLU A 15 1.283 -2.686 -8.371 1.00 0.00 O ATOM 235 CB GLU A 15 -0.464 -3.703 -5.804 1.00 0.00 C ATOM 236 CG GLU A 15 0.682 -4.695 -5.835 1.00 0.00 C ATOM 237 CD GLU A 15 0.324 -5.982 -6.554 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.855 -6.388 -6.494 1.00 0.00 O ATOM 239 OE2 GLU A 15 1.225 -6.584 -7.176 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.972 -1.788 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 15 0.780 -1.948 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.760 -3.535 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.323 -4.137 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.541 -4.237 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.984 -4.926 -4.814 1.00 0.00 H new ATOM 246 N GLU A 16 -0.936 -2.603 -8.721 1.00 0.00 N ATOM 247 CA GLU A 16 -0.838 -2.803 -10.165 1.00 0.00 C ATOM 248 C GLU A 16 -0.157 -1.623 -10.845 1.00 0.00 C ATOM 249 O GLU A 16 0.531 -1.789 -11.851 1.00 0.00 O ATOM 250 CB GLU A 16 -2.229 -3.032 -10.769 1.00 0.00 C ATOM 251 CG GLU A 16 -3.117 -1.798 -10.759 1.00 0.00 C ATOM 252 CD GLU A 16 -3.475 -1.325 -12.155 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.606 -1.403 -13.049 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -4.624 -0.877 -12.354 1.00 0.00 O ATOM 0 H GLU A 16 -1.891 -2.502 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.226 -3.689 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.116 -3.377 -11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.727 -3.830 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.032 -2.018 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.609 -0.994 -10.226 1.00 0.00 H new ATOM 261 N LYS A 17 -0.348 -0.434 -10.290 1.00 0.00 N ATOM 262 CA LYS A 17 0.253 0.771 -10.843 1.00 0.00 C ATOM 263 C LYS A 17 1.765 0.763 -10.627 1.00 0.00 C ATOM 264 O LYS A 17 2.519 1.330 -11.418 1.00 0.00 O ATOM 265 CB LYS A 17 -0.386 2.029 -10.232 1.00 0.00 C ATOM 266 CG LYS A 17 0.143 2.405 -8.855 1.00 0.00 C ATOM 267 CD LYS A 17 0.730 3.806 -8.844 1.00 0.00 C ATOM 268 CE LYS A 17 2.122 3.831 -9.455 1.00 0.00 C ATOM 269 NZ LYS A 17 2.088 4.176 -10.903 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.915 -0.278 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 17 0.064 0.788 -11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.225 2.868 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.463 1.876 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.664 2.343 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.905 1.688 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.076 4.480 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.774 4.175 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.738 4.556 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.593 2.857 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.890 4.797 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.152 3.306 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.197 4.666 -11.122 1.00 0.00 H new ATOM 283 N VAL A 18 2.198 0.125 -9.542 1.00 0.00 N ATOM 284 CA VAL A 18 3.618 0.052 -9.208 1.00 0.00 C ATOM 285 C VAL A 18 4.389 -0.808 -10.206 1.00 0.00 C ATOM 286 O VAL A 18 5.459 -0.421 -10.673 1.00 0.00 O ATOM 287 CB VAL A 18 3.827 -0.517 -7.792 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.286 -0.402 -7.378 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.925 0.191 -6.792 1.00 0.00 C ATOM 0 H VAL A 18 1.585 -0.349 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 18 4.001 1.072 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 18 3.559 -1.574 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.413 -0.809 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.908 -0.960 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.584 0.646 -7.384 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.087 -0.225 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.158 1.256 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.883 0.050 -7.079 1.00 0.00 H new ATOM 299 N LYS A 19 3.844 -1.975 -10.527 1.00 0.00 N ATOM 300 CA LYS A 19 4.485 -2.886 -11.467 1.00 0.00 C ATOM 301 C LYS A 19 4.439 -2.331 -12.889 1.00 0.00 C ATOM 302 O LYS A 19 5.247 -2.708 -13.739 1.00 0.00 O ATOM 303 CB LYS A 19 3.809 -4.259 -11.418 1.00 0.00 C ATOM 304 CG LYS A 19 4.601 -5.298 -10.641 1.00 0.00 C ATOM 305 CD LYS A 19 5.678 -5.938 -11.504 1.00 0.00 C ATOM 306 CE LYS A 19 6.962 -6.157 -10.720 1.00 0.00 C ATOM 307 NZ LYS A 19 7.848 -7.158 -11.376 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.959 -2.313 -10.150 1.00 0.00 H new ATOM 0 HA LYS A 19 5.530 -2.991 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.823 -4.153 -10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.657 -4.617 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.061 -4.830 -9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.926 -6.069 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.318 -6.892 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.881 -5.302 -12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.494 -5.210 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.719 -6.492 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.345 -7.711 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.275 -7.796 -11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.544 -6.667 -11.973 1.00 0.00 H new ATOM 321 N ALA A 20 3.485 -1.443 -13.141 1.00 0.00 N ATOM 322 CA ALA A 20 3.326 -0.842 -14.459 1.00 0.00 C ATOM 323 C ALA A 20 4.192 0.407 -14.620 1.00 0.00 C ATOM 324 O ALA A 20 4.384 0.895 -15.734 1.00 0.00 O ATOM 325 CB ALA A 20 1.862 -0.508 -14.703 1.00 0.00 C ATOM 0 H ALA A 20 2.808 -1.123 -12.448 1.00 0.00 H new ATOM 0 HA ALA A 20 3.659 -1.567 -15.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.751 -0.059 -15.690 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.267 -1.420 -14.650 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.518 0.195 -13.944 1.00 0.00 H new ATOM 331 N LEU A 21 4.711 0.923 -13.509 1.00 0.00 N ATOM 332 CA LEU A 21 5.549 2.115 -13.546 1.00 0.00 C ATOM 333 C LEU A 21 6.933 1.793 -14.107 1.00 0.00 C ATOM 334 O LEU A 21 7.581 2.644 -14.716 1.00 0.00 O ATOM 335 CB LEU A 21 5.670 2.729 -12.145 1.00 0.00 C ATOM 336 CG LEU A 21 6.730 2.098 -11.236 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.066 2.802 -11.411 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.284 2.148 -9.781 1.00 0.00 C ATOM 0 H LEU A 21 4.566 0.536 -12.577 1.00 0.00 H new ATOM 0 HA LEU A 21 5.075 2.841 -14.206 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.893 3.791 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.702 2.655 -11.650 1.00 0.00 H new ATOM 0 HG LEU A 21 6.852 1.053 -11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.808 2.342 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.390 2.714 -12.448 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.959 3.855 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.049 1.695 -9.150 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.134 3.185 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.349 1.599 -9.668 1.00 0.00 H new ATOM 350 N GLY A 22 7.378 0.558 -13.897 1.00 0.00 N ATOM 351 CA GLY A 22 8.680 0.145 -14.388 1.00 0.00 C ATOM 352 C GLY A 22 9.000 -1.295 -14.043 1.00 0.00 C ATOM 353 O GLY A 22 8.100 -2.092 -13.779 1.00 0.00 O ATOM 0 H GLY A 22 6.860 -0.164 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.714 0.272 -15.470 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.447 0.795 -13.967 1.00 0.00 H new ATOM 357 N GLY A 23 10.287 -1.632 -14.046 1.00 0.00 N ATOM 358 CA GLY A 23 10.700 -2.985 -13.729 1.00 0.00 C ATOM 359 C GLY A 23 12.202 -3.110 -13.553 1.00 0.00 C ATOM 360 O GLY A 23 12.933 -3.298 -14.526 1.00 0.00 O ATOM 0 H GLY A 23 11.050 -0.991 -14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.203 -3.308 -12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.374 -3.656 -14.523 1.00 0.00 H new ATOM 364 N GLY A 24 12.662 -3.004 -12.311 1.00 0.00 N ATOM 365 CA GLY A 24 14.083 -3.109 -12.036 1.00 0.00 C ATOM 366 C GLY A 24 14.376 -3.287 -10.558 1.00 0.00 C ATOM 367 O GLY A 24 13.594 -3.902 -9.833 1.00 0.00 O ATOM 0 H GLY A 24 12.077 -2.847 -11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.496 -3.953 -12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.587 -2.213 -12.398 1.00 0.00 H new ATOM 371 N GLY A 25 15.506 -2.747 -10.111 1.00 0.00 N ATOM 372 CA GLY A 25 15.880 -2.859 -8.714 1.00 0.00 C ATOM 373 C GLY A 25 15.110 -1.896 -7.830 1.00 0.00 C ATOM 374 O GLY A 25 14.849 -2.187 -6.663 1.00 0.00 O ATOM 0 H GLY A 25 16.169 -2.234 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.704 -3.880 -8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.948 -2.668 -8.610 1.00 0.00 H new ATOM 378 N ARG A 26 14.744 -0.747 -8.390 1.00 0.00 N ATOM 379 CA ARG A 26 13.999 0.262 -7.648 1.00 0.00 C ATOM 380 C ARG A 26 12.510 -0.073 -7.623 1.00 0.00 C ATOM 381 O ARG A 26 11.858 0.056 -6.594 1.00 0.00 O ATOM 382 CB ARG A 26 14.215 1.646 -8.268 1.00 0.00 C ATOM 383 CG ARG A 26 13.290 2.719 -7.713 1.00 0.00 C ATOM 384 CD ARG A 26 13.759 4.116 -8.090 1.00 0.00 C ATOM 385 NE ARG A 26 14.259 4.855 -6.934 1.00 0.00 N ATOM 386 CZ ARG A 26 14.990 5.964 -7.024 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.306 6.465 -8.211 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 15.404 6.575 -5.921 1.00 0.00 N ATOM 0 H ARG A 26 14.952 -0.492 -9.356 1.00 0.00 H new ATOM 0 HA ARG A 26 14.368 0.272 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.249 1.950 -8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.071 1.577 -9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.280 2.560 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.242 2.632 -6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.545 4.044 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.934 4.666 -8.543 1.00 0.00 H new ATOM 0 HE ARG A 26 14.035 4.501 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.989 6.000 -9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.866 7.315 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.162 6.195 -5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.964 7.425 -5.988 1.00 0.00 H new ATOM 402 N ILE A 27 11.985 -0.486 -8.770 1.00 0.00 N ATOM 403 CA ILE A 27 10.571 -0.835 -8.895 1.00 0.00 C ATOM 404 C ILE A 27 10.217 -2.094 -8.101 1.00 0.00 C ATOM 405 O ILE A 27 9.189 -2.145 -7.428 1.00 0.00 O ATOM 406 CB ILE A 27 10.166 -1.057 -10.370 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.897 -0.080 -11.298 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.660 -0.915 -10.529 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.837 1.359 -10.838 1.00 0.00 C ATOM 0 H ILE A 27 12.519 -0.589 -9.633 1.00 0.00 H new ATOM 0 HA ILE A 27 10.019 0.012 -8.488 1.00 0.00 H new ATOM 0 HB ILE A 27 10.457 -2.069 -10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.941 -0.383 -11.379 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.466 -0.151 -12.297 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.388 -1.074 -11.572 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.157 -1.655 -9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.354 0.085 -10.222 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.376 1.990 -11.545 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.797 1.681 -10.784 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.295 1.445 -9.853 1.00 0.00 H new ATOM 421 N GLU A 28 11.059 -3.118 -8.214 1.00 0.00 N ATOM 422 CA GLU A 28 10.827 -4.398 -7.540 1.00 0.00 C ATOM 423 C GLU A 28 10.814 -4.271 -6.017 1.00 0.00 C ATOM 424 O GLU A 28 10.011 -4.915 -5.345 1.00 0.00 O ATOM 425 CB GLU A 28 11.892 -5.410 -7.963 1.00 0.00 C ATOM 426 CG GLU A 28 11.695 -5.948 -9.370 1.00 0.00 C ATOM 427 CD GLU A 28 10.685 -7.078 -9.427 1.00 0.00 C ATOM 428 OE1 GLU A 28 9.662 -6.995 -8.716 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 10.917 -8.045 -10.182 1.00 0.00 O ATOM 0 H GLU A 28 11.914 -3.088 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 28 9.838 -4.742 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.874 -4.941 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.889 -6.243 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.366 -5.139 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.651 -6.300 -9.757 1.00 0.00 H new ATOM 436 N GLU A 29 11.713 -3.461 -5.475 1.00 0.00 N ATOM 437 CA GLU A 29 11.806 -3.276 -4.027 1.00 0.00 C ATOM 438 C GLU A 29 10.597 -2.523 -3.472 1.00 0.00 C ATOM 439 O GLU A 29 10.113 -2.818 -2.379 1.00 0.00 O ATOM 440 CB GLU A 29 13.091 -2.523 -3.675 1.00 0.00 C ATOM 441 CG GLU A 29 13.184 -1.148 -4.314 1.00 0.00 C ATOM 442 CD GLU A 29 14.418 -0.384 -3.874 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.513 -0.667 -4.407 1.00 0.00 O ATOM 444 OE2 GLU A 29 14.291 0.497 -2.998 1.00 0.00 O1- ATOM 0 H GLU A 29 12.390 -2.920 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 29 11.823 -4.265 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.155 -2.416 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.949 -3.119 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.195 -1.255 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.294 -0.572 -4.060 1.00 0.00 H new ATOM 451 N LEU A 30 10.137 -1.537 -4.228 1.00 0.00 N ATOM 452 CA LEU A 30 9.009 -0.704 -3.833 1.00 0.00 C ATOM 453 C LEU A 30 7.743 -1.524 -3.579 1.00 0.00 C ATOM 454 O LEU A 30 7.049 -1.319 -2.584 1.00 0.00 O ATOM 455 CB LEU A 30 8.750 0.319 -4.937 1.00 0.00 C ATOM 456 CG LEU A 30 8.525 1.755 -4.468 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.831 2.365 -3.985 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.932 2.586 -5.596 1.00 0.00 C ATOM 0 H LEU A 30 10.535 -1.291 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 30 9.261 -0.208 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.597 0.309 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.876 0.000 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 30 7.822 1.747 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.654 3.388 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.222 1.777 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.555 2.367 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.775 3.608 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.617 2.590 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.978 2.156 -5.902 1.00 0.00 H new ATOM 470 N LYS A 31 7.442 -2.439 -4.492 1.00 0.00 N ATOM 471 CA LYS A 31 6.247 -3.277 -4.375 1.00 0.00 C ATOM 472 C LYS A 31 6.324 -4.224 -3.184 1.00 0.00 C ATOM 473 O LYS A 31 5.304 -4.529 -2.574 1.00 0.00 O ATOM 474 CB LYS A 31 5.972 -4.068 -5.659 1.00 0.00 C ATOM 475 CG LYS A 31 7.191 -4.306 -6.535 1.00 0.00 C ATOM 476 CD LYS A 31 7.060 -5.594 -7.333 1.00 0.00 C ATOM 477 CE LYS A 31 7.202 -6.818 -6.442 1.00 0.00 C ATOM 478 NZ LYS A 31 5.882 -7.428 -6.123 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.006 -2.622 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 31 5.415 -2.593 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.542 -5.033 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.221 -3.536 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.320 -3.466 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.085 -4.352 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.092 -5.617 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.822 -5.620 -8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.833 -7.556 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.705 -6.537 -5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.793 -7.545 -5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.121 -6.809 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.808 -8.357 -6.585 1.00 0.00 H new ATOM 492 N LYS A 32 7.521 -4.705 -2.863 1.00 0.00 N ATOM 493 CA LYS A 32 7.683 -5.635 -1.746 1.00 0.00 C ATOM 494 C LYS A 32 7.127 -5.030 -0.462 1.00 0.00 C ATOM 495 O LYS A 32 6.478 -5.716 0.328 1.00 0.00 O ATOM 496 CB LYS A 32 9.157 -5.998 -1.546 1.00 0.00 C ATOM 497 CG LYS A 32 9.914 -6.226 -2.843 1.00 0.00 C ATOM 498 CD LYS A 32 11.153 -7.078 -2.622 1.00 0.00 C ATOM 499 CE LYS A 32 12.280 -6.272 -1.996 1.00 0.00 C ATOM 500 NZ LYS A 32 12.971 -7.028 -0.916 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.385 -4.471 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 32 7.128 -6.542 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.645 -5.200 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.220 -6.899 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.260 -6.713 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.203 -5.266 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.906 -7.921 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.486 -7.492 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.001 -5.998 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.880 -5.343 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.732 -6.443 -0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.289 -7.267 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.376 -7.902 -1.308 1.00 0.00 H new ATOM 514 N LYS A 33 7.365 -3.738 -0.269 1.00 0.00 N ATOM 515 CA LYS A 33 6.864 -3.043 0.908 1.00 0.00 C ATOM 516 C LYS A 33 5.339 -3.058 0.908 1.00 0.00 C ATOM 517 O LYS A 33 4.704 -3.157 1.957 1.00 0.00 O ATOM 518 CB LYS A 33 7.378 -1.602 0.938 1.00 0.00 C ATOM 519 CG LYS A 33 6.838 -0.784 2.100 1.00 0.00 C ATOM 520 CD LYS A 33 7.516 -1.160 3.409 1.00 0.00 C ATOM 521 CE LYS A 33 8.601 -0.162 3.782 1.00 0.00 C ATOM 522 NZ LYS A 33 8.545 0.207 5.224 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.900 -3.153 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 33 7.225 -3.556 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.467 -1.615 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.109 -1.110 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.991 0.277 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.763 -0.940 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.773 -1.205 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.951 -2.156 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.579 -0.587 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.493 0.736 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.301 0.889 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.622 0.636 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.673 -0.645 5.806 1.00 0.00 H new ATOM 536 N TYR A 34 4.762 -2.957 -0.287 1.00 0.00 N ATOM 537 CA TYR A 34 3.315 -2.957 -0.447 1.00 0.00 C ATOM 538 C TYR A 34 2.692 -4.227 0.131 1.00 0.00 C ATOM 539 O TYR A 34 1.615 -4.182 0.720 1.00 0.00 O ATOM 540 CB TYR A 34 2.939 -2.805 -1.925 1.00 0.00 C ATOM 541 CG TYR A 34 2.108 -1.574 -2.200 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.777 -1.512 -1.808 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.655 -0.471 -2.843 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.016 -0.385 -2.046 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.899 0.658 -3.086 1.00 0.00 C ATOM 546 CZ TYR A 34 0.581 0.695 -2.686 1.00 0.00 C ATOM 547 OH TYR A 34 -0.174 1.820 -2.919 1.00 0.00 O ATOM 0 H TYR A 34 5.280 -2.874 -1.162 1.00 0.00 H new ATOM 0 HA TYR A 34 2.919 -2.106 0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.849 -2.763 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.387 -3.688 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.330 -2.359 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.688 -0.497 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.017 -0.351 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.338 1.508 -3.587 1.00 0.00 H new ATOM 0 HH TYR A 34 0.371 2.619 -2.760 1.00 0.00 H new ATOM 557 N GLU A 35 3.374 -5.357 -0.039 1.00 0.00 N ATOM 558 CA GLU A 35 2.879 -6.633 0.471 1.00 0.00 C ATOM 559 C GLU A 35 2.622 -6.550 1.971 1.00 0.00 C ATOM 560 O GLU A 35 1.609 -7.043 2.468 1.00 0.00 O ATOM 561 CB GLU A 35 3.884 -7.749 0.174 1.00 0.00 C ATOM 562 CG GLU A 35 3.931 -8.150 -1.291 1.00 0.00 C ATOM 563 CD GLU A 35 3.228 -9.466 -1.558 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.989 -9.520 -1.406 1.00 0.00 O ATOM 565 OE2 GLU A 35 3.915 -10.445 -1.919 1.00 0.00 O1- ATOM 0 H GLU A 35 4.269 -5.415 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 35 1.938 -6.860 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.877 -7.425 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.631 -8.623 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.470 -7.367 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.971 -8.226 -1.610 1.00 0.00 H new ATOM 572 N GLU A 36 3.544 -5.912 2.684 1.00 0.00 N ATOM 573 CA GLU A 36 3.421 -5.749 4.128 1.00 0.00 C ATOM 574 C GLU A 36 2.128 -5.021 4.474 1.00 0.00 C ATOM 575 O GLU A 36 1.480 -5.327 5.473 1.00 0.00 O ATOM 576 CB GLU A 36 4.620 -4.977 4.680 1.00 0.00 C ATOM 577 CG GLU A 36 4.571 -4.772 6.186 1.00 0.00 C ATOM 578 CD GLU A 36 4.836 -3.334 6.589 1.00 0.00 C ATOM 579 OE1 GLU A 36 4.078 -2.444 6.149 1.00 0.00 O ATOM 580 OE2 GLU A 36 5.802 -3.098 7.344 1.00 0.00 O1- ATOM 0 H GLU A 36 4.386 -5.499 2.284 1.00 0.00 H new ATOM 0 HA GLU A 36 3.398 -6.738 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.535 -5.512 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.672 -4.004 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.592 -5.075 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.308 -5.420 6.661 1.00 0.00 H new ATOM 587 N LEU A 37 1.770 -4.049 3.643 1.00 0.00 N ATOM 588 CA LEU A 37 0.564 -3.254 3.845 1.00 0.00 C ATOM 589 C LEU A 37 -0.691 -4.126 3.873 1.00 0.00 C ATOM 590 O LEU A 37 -1.562 -3.949 4.724 1.00 0.00 O ATOM 591 CB LEU A 37 0.453 -2.228 2.715 1.00 0.00 C ATOM 592 CG LEU A 37 0.505 -0.763 3.138 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.865 -0.290 3.596 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.544 -0.545 4.230 1.00 0.00 C ATOM 0 H LEU A 37 2.305 -3.790 2.814 1.00 0.00 H new ATOM 0 HA LEU A 37 0.639 -2.753 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.259 -2.410 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.484 -2.400 2.185 1.00 0.00 H new ATOM 0 HG LEU A 37 0.801 -0.172 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.808 0.757 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.579 -0.396 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.193 -0.891 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.560 0.508 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.290 -1.150 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.527 -0.836 3.860 1.00 0.00 H new ATOM 606 N LYS A 38 -0.779 -5.053 2.929 1.00 0.00 N ATOM 607 CA LYS A 38 -1.930 -5.946 2.826 1.00 0.00 C ATOM 608 C LYS A 38 -2.114 -6.781 4.093 1.00 0.00 C ATOM 609 O LYS A 38 -3.238 -7.019 4.527 1.00 0.00 O ATOM 610 CB LYS A 38 -1.773 -6.868 1.617 1.00 0.00 C ATOM 611 CG LYS A 38 -1.690 -6.126 0.293 1.00 0.00 C ATOM 612 CD LYS A 38 -0.717 -6.797 -0.663 1.00 0.00 C ATOM 613 CE LYS A 38 -1.432 -7.754 -1.604 1.00 0.00 C ATOM 614 NZ LYS A 38 -0.479 -8.477 -2.490 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.064 -5.208 2.219 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.818 -5.326 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.873 -7.470 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.616 -7.558 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.679 -6.083 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.376 -5.097 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.193 -6.037 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.038 -7.340 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.005 -8.476 -1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.145 -7.199 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.950 -9.307 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.164 -7.843 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.344 -8.786 -1.935 1.00 0.00 H new ATOM 628 N LYS A 39 -1.006 -7.242 4.660 1.00 0.00 N ATOM 629 CA LYS A 39 -1.036 -8.072 5.862 1.00 0.00 C ATOM 630 C LYS A 39 -1.619 -7.332 7.068 1.00 0.00 C ATOM 631 O LYS A 39 -2.314 -7.929 7.887 1.00 0.00 O ATOM 632 CB LYS A 39 0.373 -8.566 6.192 1.00 0.00 C ATOM 633 CG LYS A 39 1.050 -9.286 5.037 1.00 0.00 C ATOM 634 CD LYS A 39 2.496 -9.625 5.362 1.00 0.00 C ATOM 635 CE LYS A 39 3.313 -9.853 4.099 1.00 0.00 C ATOM 636 NZ LYS A 39 4.130 -11.095 4.184 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.068 -7.054 4.305 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.688 -8.919 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.987 -7.716 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.322 -9.238 7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.504 -10.201 4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.014 -8.660 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.939 -8.815 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.530 -10.519 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.644 -9.916 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.968 -8.998 3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.672 -11.215 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.786 -11.025 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.504 -11.914 4.319 1.00 0.00 H new ATOM 650 N LYS A 40 -1.311 -6.045 7.188 1.00 0.00 N ATOM 651 CA LYS A 40 -1.785 -5.240 8.314 1.00 0.00 C ATOM 652 C LYS A 40 -3.305 -5.084 8.307 1.00 0.00 C ATOM 653 O LYS A 40 -3.958 -5.241 9.340 1.00 0.00 O ATOM 654 CB LYS A 40 -1.123 -3.860 8.289 1.00 0.00 C ATOM 655 CG LYS A 40 -0.663 -3.382 9.656 1.00 0.00 C ATOM 656 CD LYS A 40 0.537 -2.454 9.546 1.00 0.00 C ATOM 657 CE LYS A 40 0.110 -0.997 9.495 1.00 0.00 C ATOM 658 NZ LYS A 40 0.175 -0.352 10.836 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.734 -5.534 6.520 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.509 -5.765 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.266 -3.889 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.826 -3.136 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.481 -2.863 10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.405 -4.241 10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.199 -2.611 10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.107 -2.699 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.751 -0.455 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.907 -0.930 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.124 0.641 10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.456 -0.853 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.151 -0.393 11.194 1.00 0.00 H new ATOM 672 N ILE A 41 -3.861 -4.772 7.144 1.00 0.00 N ATOM 673 CA ILE A 41 -5.303 -4.592 7.008 1.00 0.00 C ATOM 674 C ILE A 41 -6.039 -5.872 7.377 1.00 0.00 C ATOM 675 O ILE A 41 -7.127 -5.838 7.951 1.00 0.00 O ATOM 676 CB ILE A 41 -5.685 -4.180 5.571 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.900 -2.936 5.147 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.182 -3.924 5.469 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.726 -2.812 3.650 1.00 0.00 C ATOM 0 H ILE A 41 -3.336 -4.638 6.280 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.597 -3.794 7.690 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.429 -4.998 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.412 -2.049 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.917 -2.958 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.433 -3.635 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.725 -4.832 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.461 -3.122 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.161 -1.908 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.187 -3.681 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.705 -2.757 3.173 1.00 0.00 H new ATOM 691 N GLU A 42 -5.423 -6.999 7.052 1.00 0.00 N ATOM 692 CA GLU A 42 -5.988 -8.302 7.352 1.00 0.00 C ATOM 693 C GLU A 42 -6.072 -8.506 8.858 1.00 0.00 C ATOM 694 O GLU A 42 -6.987 -9.160 9.360 1.00 0.00 O ATOM 695 CB GLU A 42 -5.137 -9.405 6.714 1.00 0.00 C ATOM 696 CG GLU A 42 -5.688 -9.907 5.390 1.00 0.00 C ATOM 697 CD GLU A 42 -4.994 -11.166 4.910 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.613 -11.995 5.763 1.00 0.00 O ATOM 699 OE2 GLU A 42 -4.830 -11.322 3.681 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.522 -7.034 6.575 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.995 -8.352 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.126 -9.029 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.062 -10.242 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.755 -10.102 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.580 -9.127 4.636 1.00 0.00 H new ATOM 706 N GLU A 43 -5.104 -7.942 9.573 1.00 0.00 N ATOM 707 CA GLU A 43 -5.056 -8.059 11.026 1.00 0.00 C ATOM 708 C GLU A 43 -6.021 -7.082 11.689 1.00 0.00 C ATOM 709 O GLU A 43 -6.492 -7.319 12.801 1.00 0.00 O ATOM 710 CB GLU A 43 -3.633 -7.810 11.531 1.00 0.00 C ATOM 711 CG GLU A 43 -2.789 -9.071 11.620 1.00 0.00 C ATOM 712 CD GLU A 43 -2.610 -9.555 13.045 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.218 -8.738 13.905 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -2.859 -10.751 13.302 1.00 0.00 O ATOM 0 H GLU A 43 -4.341 -7.399 9.169 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.359 -9.072 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.140 -7.099 10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.682 -7.346 12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.256 -9.859 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.810 -8.880 11.180 1.00 0.00 H new ATOM 721 N LEU A 44 -6.314 -5.982 11.001 1.00 0.00 N ATOM 722 CA LEU A 44 -7.224 -4.970 11.526 1.00 0.00 C ATOM 723 C LEU A 44 -8.576 -5.583 11.882 1.00 0.00 C ATOM 724 O LEU A 44 -9.327 -6.005 11.003 1.00 0.00 O ATOM 725 CB LEU A 44 -7.408 -3.841 10.509 1.00 0.00 C ATOM 726 CG LEU A 44 -6.988 -2.455 10.999 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.905 -1.479 9.837 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.959 -1.948 12.056 1.00 0.00 C ATOM 0 H LEU A 44 -5.934 -5.769 10.079 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.785 -4.559 12.435 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.835 -4.082 9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.457 -3.804 10.216 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.999 -2.534 11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.605 -0.498 10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.171 -1.835 9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.880 -1.402 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.646 -0.960 12.394 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.960 -1.885 11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.967 -2.635 12.902 1.00 0.00 H new ATOM 740 N GLY A 45 -8.876 -5.629 13.175 1.00 0.00 N ATOM 741 CA GLY A 45 -10.136 -6.192 13.626 1.00 0.00 C ATOM 742 C GLY A 45 -11.287 -5.215 13.496 1.00 0.00 C ATOM 743 O GLY A 45 -12.345 -5.559 12.971 1.00 0.00 O ATOM 0 H GLY A 45 -8.269 -5.286 13.920 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.358 -7.089 13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.041 -6.500 14.667 1.00 0.00 H new ATOM 747 N GLY A 46 -11.082 -3.993 13.978 1.00 0.00 N ATOM 748 CA GLY A 46 -12.120 -2.983 13.905 1.00 0.00 C ATOM 749 C GLY A 46 -11.896 -1.848 14.885 1.00 0.00 C ATOM 750 O GLY A 46 -12.062 -2.020 16.092 1.00 0.00 O ATOM 0 H GLY A 46 -10.215 -3.685 14.418 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.161 -2.582 12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.087 -3.445 14.104 1.00 0.00 H new ATOM 754 N GLY A 47 -11.516 -0.686 14.365 1.00 0.00 N ATOM 755 CA GLY A 47 -11.274 0.464 15.216 1.00 0.00 C ATOM 756 C GLY A 47 -10.835 1.685 14.431 1.00 0.00 C ATOM 757 O GLY A 47 -11.171 1.829 13.256 1.00 0.00 O ATOM 0 H GLY A 47 -11.371 -0.520 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.183 0.700 15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.509 0.214 15.951 1.00 0.00 H new ATOM 761 N GLY A 48 -10.082 2.565 15.084 1.00 0.00 N ATOM 762 CA GLY A 48 -9.608 3.767 14.424 1.00 0.00 C ATOM 763 C GLY A 48 -8.198 3.617 13.888 1.00 0.00 C ATOM 764 O GLY A 48 -7.446 4.589 13.814 1.00 0.00 O ATOM 0 H GLY A 48 -9.792 2.467 16.057 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.281 4.016 13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.640 4.600 15.126 1.00 0.00 H new ATOM 768 N GLU A 49 -7.839 2.394 13.511 1.00 0.00 N ATOM 769 CA GLU A 49 -6.509 2.116 12.979 1.00 0.00 C ATOM 770 C GLU A 49 -6.520 2.102 11.453 1.00 0.00 C ATOM 771 O GLU A 49 -5.482 2.283 10.815 1.00 0.00 O ATOM 772 CB GLU A 49 -5.996 0.776 13.509 1.00 0.00 C ATOM 773 CG GLU A 49 -4.596 0.428 13.032 1.00 0.00 C ATOM 774 CD GLU A 49 -3.759 -0.229 14.112 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.003 -1.417 14.411 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.859 0.443 14.659 1.00 0.00 O ATOM 0 H GLU A 49 -8.450 1.579 13.564 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.841 2.911 13.310 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.004 0.799 14.599 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.682 -0.013 13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.664 -0.240 12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.096 1.335 12.691 1.00 0.00 H new ATOM 783 N VAL A 50 -7.697 1.886 10.869 1.00 0.00 N ATOM 784 CA VAL A 50 -7.835 1.848 9.418 1.00 0.00 C ATOM 785 C VAL A 50 -7.300 3.123 8.775 1.00 0.00 C ATOM 786 O VAL A 50 -6.816 3.103 7.644 1.00 0.00 O ATOM 787 CB VAL A 50 -9.305 1.655 9.000 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.747 0.221 9.249 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.205 2.634 9.739 1.00 0.00 C ATOM 0 H VAL A 50 -8.567 1.735 11.379 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.248 0.998 9.070 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.389 1.857 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.788 0.104 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.122 -0.458 8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.648 -0.011 10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.239 2.482 9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.119 2.468 10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.903 3.655 9.504 1.00 0.00 H new ATOM 799 N LYS A 51 -7.390 4.231 9.504 1.00 0.00 N ATOM 800 CA LYS A 51 -6.912 5.515 9.003 1.00 0.00 C ATOM 801 C LYS A 51 -5.389 5.528 8.901 1.00 0.00 C ATOM 802 O LYS A 51 -4.821 6.151 8.005 1.00 0.00 O ATOM 803 CB LYS A 51 -7.388 6.650 9.915 1.00 0.00 C ATOM 804 CG LYS A 51 -8.533 7.461 9.330 1.00 0.00 C ATOM 805 CD LYS A 51 -9.758 6.597 9.083 1.00 0.00 C ATOM 806 CE LYS A 51 -10.936 7.425 8.595 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.167 6.603 8.436 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.789 4.266 10.442 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.323 5.665 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.702 6.230 10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.550 7.316 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.790 8.273 10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.215 7.919 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.521 5.830 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.032 6.081 10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.128 8.233 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.683 7.888 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.946 7.206 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.993 5.847 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.424 6.181 9.351 1.00 0.00 H new ATOM 821 N LYS A 52 -4.737 4.835 9.828 1.00 0.00 N ATOM 822 CA LYS A 52 -3.279 4.763 9.851 1.00 0.00 C ATOM 823 C LYS A 52 -2.749 3.991 8.646 1.00 0.00 C ATOM 824 O LYS A 52 -1.675 4.291 8.129 1.00 0.00 O ATOM 825 CB LYS A 52 -2.802 4.101 11.145 1.00 0.00 C ATOM 826 CG LYS A 52 -2.494 5.090 12.257 1.00 0.00 C ATOM 827 CD LYS A 52 -2.777 4.493 13.627 1.00 0.00 C ATOM 828 CE LYS A 52 -2.439 5.471 14.741 1.00 0.00 C ATOM 829 NZ LYS A 52 -0.968 5.627 14.915 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.195 4.314 10.575 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.891 5.780 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.567 3.405 11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.908 3.514 10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.448 5.391 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.092 5.991 12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.828 4.214 13.693 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.196 3.580 13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.883 6.441 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.880 5.124 15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.778 6.235 15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.536 4.694 15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.562 6.062 14.062 1.00 0.00 H new ATOM 843 N VAL A 53 -3.506 2.989 8.213 1.00 0.00 N ATOM 844 CA VAL A 53 -3.116 2.162 7.076 1.00 0.00 C ATOM 845 C VAL A 53 -3.177 2.939 5.762 1.00 0.00 C ATOM 846 O VAL A 53 -2.333 2.760 4.888 1.00 0.00 O ATOM 847 CB VAL A 53 -4.009 0.911 6.963 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.538 0.008 5.829 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.033 0.154 8.283 1.00 0.00 C ATOM 0 H VAL A 53 -4.398 2.729 8.634 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.085 1.856 7.255 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.024 1.235 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.184 -0.868 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.580 0.555 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.513 -0.309 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.668 -0.727 8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.021 -0.156 8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.427 0.801 9.066 1.00 0.00 H new ATOM 859 N GLU A 54 -4.187 3.786 5.617 1.00 0.00 N ATOM 860 CA GLU A 54 -4.350 4.571 4.397 1.00 0.00 C ATOM 861 C GLU A 54 -3.217 5.583 4.226 1.00 0.00 C ATOM 862 O GLU A 54 -2.802 5.877 3.106 1.00 0.00 O ATOM 863 CB GLU A 54 -5.697 5.298 4.414 1.00 0.00 C ATOM 864 CG GLU A 54 -6.881 4.381 4.670 1.00 0.00 C ATOM 865 CD GLU A 54 -8.126 5.140 5.087 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.672 5.889 4.249 1.00 0.00 O ATOM 867 OE2 GLU A 54 -8.554 4.986 6.250 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.904 3.948 6.324 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.319 3.883 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.674 6.070 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.840 5.803 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.094 3.808 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.619 3.664 5.448 1.00 0.00 H new ATOM 874 N GLU A 55 -2.736 6.124 5.338 1.00 0.00 N ATOM 875 CA GLU A 55 -1.665 7.119 5.310 1.00 0.00 C ATOM 876 C GLU A 55 -0.317 6.516 4.905 1.00 0.00 C ATOM 877 O GLU A 55 0.474 7.161 4.216 1.00 0.00 O ATOM 878 CB GLU A 55 -1.535 7.789 6.679 1.00 0.00 C ATOM 879 CG GLU A 55 -1.183 9.266 6.603 1.00 0.00 C ATOM 880 CD GLU A 55 -1.877 10.086 7.673 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.327 10.194 8.790 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -2.971 10.621 7.394 1.00 0.00 O ATOM 0 H GLU A 55 -3.070 5.892 6.274 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.935 7.858 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.474 7.675 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.769 7.271 7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.104 9.384 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.457 9.651 5.621 1.00 0.00 H new ATOM 889 N GLU A 56 -0.049 5.294 5.353 1.00 0.00 N ATOM 890 CA GLU A 56 1.218 4.630 5.053 1.00 0.00 C ATOM 891 C GLU A 56 1.360 4.311 3.565 1.00 0.00 C ATOM 892 O GLU A 56 2.424 4.518 2.981 1.00 0.00 O ATOM 893 CB GLU A 56 1.363 3.352 5.885 1.00 0.00 C ATOM 894 CG GLU A 56 0.170 2.418 5.793 1.00 0.00 C ATOM 895 CD GLU A 56 0.418 1.087 6.476 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.581 0.812 6.843 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 -0.551 0.317 6.645 1.00 0.00 O ATOM 0 H GLU A 56 -0.690 4.743 5.924 1.00 0.00 H new ATOM 0 HA GLU A 56 2.017 5.322 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.256 2.818 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.518 3.626 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.698 2.898 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.071 2.245 4.744 1.00 0.00 H new ATOM 904 N VAL A 57 0.293 3.807 2.954 1.00 0.00 N ATOM 905 CA VAL A 57 0.322 3.465 1.536 1.00 0.00 C ATOM 906 C VAL A 57 0.558 4.706 0.679 1.00 0.00 C ATOM 907 O VAL A 57 1.238 4.645 -0.346 1.00 0.00 O ATOM 908 CB VAL A 57 -0.975 2.754 1.090 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.133 3.734 0.968 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.750 2.019 -0.224 1.00 0.00 C ATOM 0 H VAL A 57 -0.599 3.627 3.415 1.00 0.00 H new ATOM 0 HA VAL A 57 1.152 2.773 1.393 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.240 2.026 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.030 3.200 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.313 4.207 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.887 4.498 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.672 1.523 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.453 2.732 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.037 1.275 -0.095 1.00 0.00 H new ATOM 920 N LYS A 58 0.000 5.834 1.111 1.00 0.00 N ATOM 921 CA LYS A 58 0.153 7.093 0.389 1.00 0.00 C ATOM 922 C LYS A 58 1.631 7.417 0.182 1.00 0.00 C ATOM 923 O LYS A 58 2.015 8.000 -0.830 1.00 0.00 O ATOM 924 CB LYS A 58 -0.530 8.229 1.155 1.00 0.00 C ATOM 925 CG LYS A 58 -1.817 8.711 0.505 1.00 0.00 C ATOM 926 CD LYS A 58 -1.560 9.878 -0.435 1.00 0.00 C ATOM 927 CE LYS A 58 -1.241 11.152 0.331 1.00 0.00 C ATOM 928 NZ LYS A 58 -1.410 12.365 -0.514 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.563 5.901 1.959 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.320 6.989 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.748 7.893 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.162 9.067 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.277 7.891 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.525 9.012 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.731 9.635 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.436 10.040 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.891 11.224 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.216 11.107 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.183 13.212 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.771 12.309 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.394 12.423 -0.846 1.00 0.00 H new ATOM 942 N LYS A 59 2.452 7.035 1.151 1.00 0.00 N ATOM 943 CA LYS A 59 3.888 7.278 1.082 1.00 0.00 C ATOM 944 C LYS A 59 4.540 6.438 -0.015 1.00 0.00 C ATOM 945 O LYS A 59 5.465 6.889 -0.687 1.00 0.00 O ATOM 946 CB LYS A 59 4.541 6.969 2.430 1.00 0.00 C ATOM 947 CG LYS A 59 3.868 7.661 3.605 1.00 0.00 C ATOM 948 CD LYS A 59 4.382 7.132 4.934 1.00 0.00 C ATOM 949 CE LYS A 59 5.710 7.768 5.311 1.00 0.00 C ATOM 950 NZ LYS A 59 6.677 6.765 5.835 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.147 6.554 1.997 1.00 0.00 H new ATOM 0 HA LYS A 59 4.038 8.330 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.523 5.892 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.588 7.268 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.046 8.735 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.790 7.513 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.648 7.331 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.499 6.050 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.137 8.262 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.543 8.539 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.570 7.239 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.281 6.311 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.857 6.043 5.108 1.00 0.00 H new ATOM 964 N LEU A 60 4.063 5.205 -0.172 1.00 0.00 N ATOM 965 CA LEU A 60 4.609 4.285 -1.170 1.00 0.00 C ATOM 966 C LEU A 60 4.504 4.845 -2.588 1.00 0.00 C ATOM 967 O LEU A 60 5.459 4.768 -3.361 1.00 0.00 O ATOM 968 CB LEU A 60 3.881 2.941 -1.091 1.00 0.00 C ATOM 969 CG LEU A 60 4.747 1.712 -1.372 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.333 1.782 -2.773 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.852 1.589 -0.334 1.00 0.00 C ATOM 0 H LEU A 60 3.298 4.818 0.380 1.00 0.00 H new ATOM 0 HA LEU A 60 5.667 4.150 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.447 2.839 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.054 2.952 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 60 4.117 0.825 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.946 0.899 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.525 1.820 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.948 2.677 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.458 0.709 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.481 2.479 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.410 1.491 0.658 1.00 0.00 H new ATOM 983 N GLU A 61 3.346 5.399 -2.930 1.00 0.00 N ATOM 984 CA GLU A 61 3.138 5.958 -4.264 1.00 0.00 C ATOM 985 C GLU A 61 3.985 7.210 -4.474 1.00 0.00 C ATOM 986 O GLU A 61 4.450 7.476 -5.582 1.00 0.00 O ATOM 987 CB GLU A 61 1.657 6.273 -4.499 1.00 0.00 C ATOM 988 CG GLU A 61 1.044 7.189 -3.453 1.00 0.00 C ATOM 989 CD GLU A 61 1.437 8.642 -3.645 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.927 8.985 -4.740 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.251 9.436 -2.699 1.00 0.00 O ATOM 0 H GLU A 61 2.541 5.474 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 61 3.452 5.208 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.546 6.734 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.097 5.338 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.042 7.102 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.355 6.861 -2.461 1.00 0.00 H new ATOM 998 N GLU A 62 4.183 7.973 -3.404 1.00 0.00 N ATOM 999 CA GLU A 62 4.974 9.196 -3.468 1.00 0.00 C ATOM 1000 C GLU A 62 6.374 8.907 -3.998 1.00 0.00 C ATOM 1001 O GLU A 62 6.922 9.674 -4.789 1.00 0.00 O ATOM 1002 CB GLU A 62 5.063 9.844 -2.085 1.00 0.00 C ATOM 1003 CG GLU A 62 3.937 10.821 -1.799 1.00 0.00 C ATOM 1004 CD GLU A 62 4.368 12.268 -1.944 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.473 12.744 -3.093 1.00 0.00 O ATOM 1006 OE2 GLU A 62 4.603 12.924 -0.907 1.00 0.00 O1- ATOM 0 H GLU A 62 3.805 7.765 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 62 4.479 9.885 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.056 9.062 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.016 10.365 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.108 10.623 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.566 10.656 -0.787 1.00 0.00 H new ATOM 1013 N GLU A 63 6.941 7.787 -3.564 1.00 0.00 N ATOM 1014 CA GLU A 63 8.270 7.386 -4.002 1.00 0.00 C ATOM 1015 C GLU A 63 8.261 7.072 -5.490 1.00 0.00 C ATOM 1016 O GLU A 63 9.246 7.299 -6.192 1.00 0.00 O ATOM 1017 CB GLU A 63 8.748 6.167 -3.211 1.00 0.00 C ATOM 1018 CG GLU A 63 8.538 6.292 -1.711 1.00 0.00 C ATOM 1019 CD GLU A 63 9.143 7.561 -1.141 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.356 7.558 -0.844 1.00 0.00 O ATOM 1021 OE2 GLU A 63 8.403 8.555 -0.992 1.00 0.00 O1- ATOM 0 H GLU A 63 6.500 7.141 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 63 8.958 8.212 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.222 5.283 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.808 6.009 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.470 6.274 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.979 5.428 -1.213 1.00 0.00 H new ATOM 1028 N ILE A 64 7.134 6.550 -5.966 1.00 0.00 N ATOM 1029 CA ILE A 64 6.989 6.207 -7.376 1.00 0.00 C ATOM 1030 C ILE A 64 7.153 7.444 -8.255 1.00 0.00 C ATOM 1031 O ILE A 64 7.681 7.364 -9.364 1.00 0.00 O ATOM 1032 CB ILE A 64 5.619 5.562 -7.662 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.394 4.357 -6.747 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.517 5.145 -9.123 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.022 3.735 -6.894 1.00 0.00 C ATOM 0 H ILE A 64 6.310 6.356 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 64 7.772 5.487 -7.612 1.00 0.00 H new ATOM 0 HB ILE A 64 4.843 6.301 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.151 3.602 -6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.535 4.666 -5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.543 4.692 -9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.634 6.021 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.301 4.423 -9.351 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.933 2.886 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.259 4.475 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.885 3.395 -7.920 1.00 0.00 H new ATOM 1047 N LYS A 65 6.698 8.586 -7.751 1.00 0.00 N ATOM 1048 CA LYS A 65 6.796 9.840 -8.488 1.00 0.00 C ATOM 1049 C LYS A 65 8.249 10.293 -8.592 1.00 0.00 C ATOM 1050 O LYS A 65 8.672 10.823 -9.619 1.00 0.00 O ATOM 1051 CB LYS A 65 5.958 10.924 -7.808 1.00 0.00 C ATOM 1052 CG LYS A 65 4.463 10.645 -7.840 1.00 0.00 C ATOM 1053 CD LYS A 65 3.864 10.634 -6.443 1.00 0.00 C ATOM 1054 CE LYS A 65 2.425 11.124 -6.449 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.984 11.567 -5.098 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.258 8.669 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 65 6.411 9.674 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.279 11.023 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.152 11.880 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.964 11.403 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.282 9.684 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.903 9.623 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.461 11.265 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.326 11.951 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.771 10.326 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.042 12.003 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.941 10.746 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.661 12.262 -4.722 1.00 0.00 H new ATOM 1069 N LYS A 66 9.007 10.080 -7.522 1.00 0.00 N ATOM 1070 CA LYS A 66 10.413 10.462 -7.493 1.00 0.00 C ATOM 1071 C LYS A 66 11.192 9.750 -8.594 1.00 0.00 C ATOM 1072 O LYS A 66 12.194 10.266 -9.092 1.00 0.00 O ATOM 1073 CB LYS A 66 11.025 10.133 -6.130 1.00 0.00 C ATOM 1074 CG LYS A 66 10.666 11.133 -5.043 1.00 0.00 C ATOM 1075 CD LYS A 66 11.720 11.167 -3.949 1.00 0.00 C ATOM 1076 CE LYS A 66 11.384 12.198 -2.883 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.780 11.738 -1.522 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.671 9.645 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 66 10.475 11.537 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.694 9.141 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.110 10.091 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.562 12.126 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.700 10.872 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.802 10.182 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.692 11.397 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.891 13.135 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.314 12.403 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.534 12.468 -0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.277 10.857 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.806 11.567 -1.498 1.00 0.00 H new ATOM 1091 N LEU A 67 10.728 8.563 -8.968 1.00 0.00 N ATOM 1092 CA LEU A 67 11.383 7.780 -10.007 1.00 0.00 C ATOM 1093 C LEU A 67 10.624 7.882 -11.329 1.00 0.00 C ATOM 1094 O LEU A 67 9.376 7.838 -11.300 1.00 0.00 O ATOM 1095 CB LEU A 67 11.504 6.314 -9.567 1.00 0.00 C ATOM 1096 CG LEU A 67 10.337 5.403 -9.957 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.551 4.828 -11.348 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.170 4.285 -8.937 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.285 8.007 -12.381 1.00 0.00 O ATOM 0 H LEU A 67 9.900 8.122 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 67 12.383 8.184 -10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.420 5.902 -9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.614 6.288 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 67 9.424 5.998 -9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.712 4.183 -11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.622 5.641 -12.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.473 4.247 -11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.336 3.647 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.083 3.692 -8.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.971 4.715 -7.955 1.00 0.00 H new TER 1111 LEU A 67