USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 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+ -126:sc= 0.0743 (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+ -153:sc= 0 (180deg=-0.00272) USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= 0.333 (180deg=-0.449) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -117:sc= 0.0149 (180deg=0) 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 130:sc= -9.68! USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= -1.02 (180deg=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ -131:sc=-0.00153 (180deg=-0.257) USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= -0.0158 (180deg=-0.182) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 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 -14.800 -7.006 7.368 1.00 0.00 N ATOM 2 CA GLY A 1 -15.604 -5.805 7.725 1.00 0.00 C ATOM 3 C GLY A 1 -16.131 -5.077 6.504 1.00 0.00 C ATOM 4 O GLY A 1 -16.026 -5.575 5.383 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.181 -7.838 7.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.846 -7.162 6.341 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.810 -6.858 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.441 -6.106 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.991 -5.123 8.314 1.00 0.00 H new ATOM 10 N SER A 2 -16.700 -3.895 6.721 1.00 0.00 N ATOM 11 CA SER A 2 -17.245 -3.097 5.630 1.00 0.00 C ATOM 12 C SER A 2 -16.317 -1.936 5.288 1.00 0.00 C ATOM 13 O SER A 2 -16.231 -1.516 4.134 1.00 0.00 O ATOM 14 CB SER A 2 -18.631 -2.566 6.001 1.00 0.00 C ATOM 15 OG SER A 2 -19.653 -3.413 5.503 1.00 0.00 O ATOM 0 H SER A 2 -16.795 -3.469 7.643 1.00 0.00 H new ATOM 0 HA SER A 2 -17.332 -3.738 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.716 -2.488 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.759 -1.561 5.598 1.00 0.00 H new ATOM 0 HG SER A 2 -20.529 -3.052 5.755 1.00 0.00 H new ATOM 21 N ARG A 3 -15.625 -1.421 6.298 1.00 0.00 N ATOM 22 CA ARG A 3 -14.703 -0.308 6.102 1.00 0.00 C ATOM 23 C ARG A 3 -13.259 -0.796 6.063 1.00 0.00 C ATOM 24 O ARG A 3 -12.433 -0.259 5.324 1.00 0.00 O ATOM 25 CB ARG A 3 -14.880 0.728 7.213 1.00 0.00 C ATOM 26 CG ARG A 3 -14.579 0.191 8.603 1.00 0.00 C ATOM 27 CD ARG A 3 -13.225 0.666 9.105 1.00 0.00 C ATOM 28 NE ARG A 3 -13.343 1.473 10.319 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.574 2.785 10.322 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.718 3.447 9.181 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.663 3.437 11.473 1.00 0.00 N ATOM 0 H ARG A 3 -15.685 -1.756 7.260 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.932 0.158 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.228 1.578 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.904 1.100 7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.358 0.513 9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.599 -0.899 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.589 -0.197 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.735 1.251 8.327 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.242 1.003 11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.652 2.951 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.895 4.452 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.555 2.934 12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.840 4.442 11.478 1.00 0.00 H new ATOM 45 N VAL A 4 -12.960 -1.819 6.858 1.00 0.00 N ATOM 46 CA VAL A 4 -11.614 -2.379 6.908 1.00 0.00 C ATOM 47 C VAL A 4 -11.302 -3.163 5.637 1.00 0.00 C ATOM 48 O VAL A 4 -10.225 -3.019 5.059 1.00 0.00 O ATOM 49 CB VAL A 4 -11.434 -3.302 8.128 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.983 -3.743 8.254 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.899 -2.604 9.396 1.00 0.00 C ATOM 0 H VAL A 4 -13.631 -2.276 7.476 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.923 -1.541 6.995 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.048 -4.191 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.875 -4.394 9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.688 -4.284 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.346 -2.867 8.376 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.765 -3.270 10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.313 -1.698 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.953 -2.343 9.302 1.00 0.00 H new ATOM 61 N LYS A 5 -12.252 -3.987 5.203 1.00 0.00 N ATOM 62 CA LYS A 5 -12.072 -4.784 3.996 1.00 0.00 C ATOM 63 C LYS A 5 -11.912 -3.875 2.784 1.00 0.00 C ATOM 64 O LYS A 5 -11.067 -4.114 1.924 1.00 0.00 O ATOM 65 CB LYS A 5 -13.256 -5.734 3.794 1.00 0.00 C ATOM 66 CG LYS A 5 -13.330 -6.337 2.397 1.00 0.00 C ATOM 67 CD LYS A 5 -12.036 -7.036 2.021 1.00 0.00 C ATOM 68 CE LYS A 5 -11.994 -8.458 2.557 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.074 -9.323 1.768 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.150 -4.119 5.668 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.168 -5.382 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.191 -6.540 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.181 -5.194 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.155 -7.048 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.544 -5.552 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.932 -7.052 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.190 -6.473 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.674 -8.444 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.998 -8.883 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.074 -10.284 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.393 -9.358 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.111 -8.932 1.807 1.00 0.00 H new ATOM 83 N ALA A 6 -12.721 -2.823 2.732 1.00 0.00 N ATOM 84 CA ALA A 6 -12.661 -1.868 1.634 1.00 0.00 C ATOM 85 C ALA A 6 -11.260 -1.286 1.520 1.00 0.00 C ATOM 86 O ALA A 6 -10.770 -1.016 0.427 1.00 0.00 O ATOM 87 CB ALA A 6 -13.685 -0.763 1.841 1.00 0.00 C ATOM 0 H ALA A 6 -13.426 -2.611 3.438 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.896 -2.385 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.630 -0.056 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.684 -1.196 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.476 -0.244 2.776 1.00 0.00 H new ATOM 93 N LEU A 7 -10.623 -1.101 2.668 1.00 0.00 N ATOM 94 CA LEU A 7 -9.273 -0.560 2.726 1.00 0.00 C ATOM 95 C LEU A 7 -8.297 -1.435 1.945 1.00 0.00 C ATOM 96 O LEU A 7 -7.421 -0.934 1.243 1.00 0.00 O ATOM 97 CB LEU A 7 -8.832 -0.473 4.187 1.00 0.00 C ATOM 98 CG LEU A 7 -8.086 0.801 4.572 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.705 0.827 3.936 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.887 2.031 4.171 1.00 0.00 C ATOM 0 H LEU A 7 -11.025 -1.320 3.580 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.274 0.432 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.714 -0.562 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.193 -1.328 4.407 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.962 0.812 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.189 1.744 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.131 -0.034 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.803 0.790 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.339 2.930 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.045 2.026 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.851 2.019 4.679 1.00 0.00 H new ATOM 112 N GLU A 8 -8.451 -2.745 2.093 1.00 0.00 N ATOM 113 CA GLU A 8 -7.579 -3.707 1.424 1.00 0.00 C ATOM 114 C GLU A 8 -7.721 -3.663 -0.101 1.00 0.00 C ATOM 115 O GLU A 8 -6.749 -3.870 -0.824 1.00 0.00 O ATOM 116 CB GLU A 8 -7.868 -5.124 1.947 1.00 0.00 C ATOM 117 CG GLU A 8 -8.873 -5.912 1.115 1.00 0.00 C ATOM 118 CD GLU A 8 -8.230 -6.611 -0.067 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.280 -7.393 0.152 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.674 -6.376 -1.209 1.00 0.00 O ATOM 0 H GLU A 8 -9.175 -3.169 2.673 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.550 -3.432 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.932 -5.681 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.239 -5.052 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.362 -6.652 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.650 -5.237 0.755 1.00 0.00 H new ATOM 127 N GLU A 9 -8.936 -3.418 -0.584 1.00 0.00 N ATOM 128 CA GLU A 9 -9.194 -3.377 -2.024 1.00 0.00 C ATOM 129 C GLU A 9 -8.505 -2.193 -2.706 1.00 0.00 C ATOM 130 O GLU A 9 -8.051 -2.307 -3.844 1.00 0.00 O ATOM 131 CB GLU A 9 -10.702 -3.358 -2.306 1.00 0.00 C ATOM 132 CG GLU A 9 -11.390 -2.043 -1.968 1.00 0.00 C ATOM 133 CD GLU A 9 -12.309 -1.566 -3.075 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.990 -1.811 -4.258 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -13.346 -0.946 -2.761 1.00 0.00 O ATOM 0 H GLU A 9 -9.756 -3.245 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.767 -4.285 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.864 -3.578 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.175 -4.158 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.965 -2.163 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.635 -1.281 -1.774 1.00 0.00 H new ATOM 142 N LYS A 10 -8.447 -1.055 -2.023 1.00 0.00 N ATOM 143 CA LYS A 10 -7.833 0.147 -2.583 1.00 0.00 C ATOM 144 C LYS A 10 -6.311 0.031 -2.659 1.00 0.00 C ATOM 145 O LYS A 10 -5.686 0.554 -3.580 1.00 0.00 O ATOM 146 CB LYS A 10 -8.220 1.375 -1.753 1.00 0.00 C ATOM 147 CG LYS A 10 -7.765 1.303 -0.305 1.00 0.00 C ATOM 148 CD LYS A 10 -7.591 2.690 0.294 1.00 0.00 C ATOM 149 CE LYS A 10 -6.491 3.469 -0.410 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.969 4.795 -0.890 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.818 -0.938 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.208 0.260 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.792 2.264 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.303 1.493 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.494 0.742 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.822 0.759 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.530 3.239 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.354 2.602 1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.653 3.611 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.120 2.889 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.189 5.294 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.752 4.660 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.300 5.358 -0.081 1.00 0.00 H new ATOM 164 N VAL A 11 -5.720 -0.644 -1.679 1.00 0.00 N ATOM 165 CA VAL A 11 -4.271 -0.811 -1.628 1.00 0.00 C ATOM 166 C VAL A 11 -3.759 -1.691 -2.768 1.00 0.00 C ATOM 167 O VAL A 11 -2.694 -1.434 -3.330 1.00 0.00 O ATOM 168 CB VAL A 11 -3.836 -1.422 -0.280 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.322 -1.550 -0.197 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.365 -0.585 0.874 1.00 0.00 C ATOM 0 H VAL A 11 -6.222 -1.085 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.836 0.182 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.260 -2.424 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.046 -1.984 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.967 -2.194 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.868 -0.564 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.050 -1.028 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.971 0.428 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.454 -0.555 0.832 1.00 0.00 H new ATOM 180 N LYS A 12 -4.514 -2.730 -3.099 1.00 0.00 N ATOM 181 CA LYS A 12 -4.131 -3.649 -4.163 1.00 0.00 C ATOM 182 C LYS A 12 -4.217 -2.981 -5.526 1.00 0.00 C ATOM 183 O LYS A 12 -3.376 -3.211 -6.395 1.00 0.00 O ATOM 184 CB LYS A 12 -5.004 -4.904 -4.133 1.00 0.00 C ATOM 185 CG LYS A 12 -4.202 -6.196 -4.137 1.00 0.00 C ATOM 186 CD LYS A 12 -4.395 -6.975 -2.846 1.00 0.00 C ATOM 187 CE LYS A 12 -4.397 -8.474 -3.096 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.519 -9.248 -1.830 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.398 -2.958 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.094 -3.939 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.634 -4.879 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.670 -4.895 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.506 -6.812 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.144 -5.969 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.599 -6.723 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.335 -6.681 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.223 -8.730 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.477 -8.758 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.076 -10.181 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.042 -8.735 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.524 -9.369 -1.593 1.00 0.00 H new ATOM 202 N ALA A 13 -5.230 -2.145 -5.710 1.00 0.00 N ATOM 203 CA ALA A 13 -5.405 -1.442 -6.970 1.00 0.00 C ATOM 204 C ALA A 13 -4.153 -0.641 -7.286 1.00 0.00 C ATOM 205 O ALA A 13 -3.733 -0.543 -8.440 1.00 0.00 O ATOM 206 CB ALA A 13 -6.623 -0.532 -6.908 1.00 0.00 C ATOM 0 H ALA A 13 -5.939 -1.939 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.568 -2.170 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.739 -0.014 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.513 -1.129 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.491 0.199 -6.110 1.00 0.00 H new ATOM 212 N LEU A 14 -3.546 -0.093 -6.240 1.00 0.00 N ATOM 213 CA LEU A 14 -2.319 0.677 -6.388 1.00 0.00 C ATOM 214 C LEU A 14 -1.156 -0.241 -6.741 1.00 0.00 C ATOM 215 O LEU A 14 -0.221 0.158 -7.423 1.00 0.00 O ATOM 216 CB LEU A 14 -2.006 1.446 -5.107 1.00 0.00 C ATOM 217 CG LEU A 14 -1.460 2.857 -5.328 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.864 3.772 -4.183 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.054 2.830 -5.485 1.00 0.00 C ATOM 0 H LEU A 14 -3.884 -0.168 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.463 1.393 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.914 1.512 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.281 0.877 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.891 3.250 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.466 4.772 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.951 3.820 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.465 3.382 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.422 3.844 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.506 2.415 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.320 2.212 -6.342 1.00 0.00 H new ATOM 231 N GLU A 15 -1.224 -1.475 -6.255 1.00 0.00 N ATOM 232 CA GLU A 15 -0.181 -2.462 -6.504 1.00 0.00 C ATOM 233 C GLU A 15 0.037 -2.676 -8.000 1.00 0.00 C ATOM 234 O GLU A 15 1.166 -2.844 -8.457 1.00 0.00 O ATOM 235 CB GLU A 15 -0.560 -3.788 -5.844 1.00 0.00 C ATOM 236 CG GLU A 15 0.560 -4.809 -5.851 1.00 0.00 C ATOM 237 CD GLU A 15 0.146 -6.128 -6.474 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.871 -6.702 -6.031 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.838 -6.586 -7.408 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.996 -1.817 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 15 0.749 -2.088 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.862 -3.599 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.425 -4.206 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.411 -4.405 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.893 -4.984 -4.828 1.00 0.00 H new ATOM 246 N GLU A 16 -1.057 -2.674 -8.745 1.00 0.00 N ATOM 247 CA GLU A 16 -1.021 -2.875 -10.192 1.00 0.00 C ATOM 248 C GLU A 16 -0.318 -1.719 -10.890 1.00 0.00 C ATOM 249 O GLU A 16 0.320 -1.902 -11.924 1.00 0.00 O ATOM 250 CB GLU A 16 -2.440 -3.031 -10.740 1.00 0.00 C ATOM 251 CG GLU A 16 -3.289 -4.022 -9.961 1.00 0.00 C ATOM 252 CD GLU A 16 -4.097 -4.935 -10.862 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.513 -5.509 -11.804 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.316 -5.077 -10.623 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.995 -2.534 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.458 -3.787 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.932 -2.059 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.385 -3.352 -11.780 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.643 -4.626 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.965 -3.476 -9.303 1.00 0.00 H new ATOM 261 N LYS A 17 -0.445 -0.528 -10.323 1.00 0.00 N ATOM 262 CA LYS A 17 0.179 0.656 -10.893 1.00 0.00 C ATOM 263 C LYS A 17 1.698 0.597 -10.738 1.00 0.00 C ATOM 264 O LYS A 17 2.437 1.150 -11.552 1.00 0.00 O ATOM 265 CB LYS A 17 -0.396 1.931 -10.256 1.00 0.00 C ATOM 266 CG LYS A 17 0.219 2.304 -8.913 1.00 0.00 C ATOM 267 CD LYS A 17 0.875 3.675 -8.962 1.00 0.00 C ATOM 268 CE LYS A 17 2.218 3.628 -9.674 1.00 0.00 C ATOM 269 NZ LYS A 17 2.106 4.029 -11.105 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.975 -0.356 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.045 0.683 -11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.256 2.762 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.471 1.803 -10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.553 2.296 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.959 1.555 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.216 4.376 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.013 4.049 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.921 4.289 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.627 2.619 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.878 4.684 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.170 3.184 -11.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.192 4.499 -11.263 1.00 0.00 H new ATOM 283 N VAL A 18 2.154 -0.059 -9.672 1.00 0.00 N ATOM 284 CA VAL A 18 3.585 -0.170 -9.392 1.00 0.00 C ATOM 285 C VAL A 18 4.296 -1.079 -10.393 1.00 0.00 C ATOM 286 O VAL A 18 5.358 -0.732 -10.910 1.00 0.00 O ATOM 287 CB VAL A 18 3.834 -0.704 -7.968 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.318 -0.677 -7.636 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.040 0.100 -6.950 1.00 0.00 C ATOM 0 H VAL A 18 1.554 -0.521 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 18 3.994 0.836 -9.482 1.00 0.00 H new ATOM 0 HB VAL A 18 3.495 -1.739 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.472 -1.058 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.861 -1.301 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.686 0.347 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.228 -0.291 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.345 1.145 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.976 0.023 -7.175 1.00 0.00 H new ATOM 299 N LYS A 19 3.713 -2.241 -10.664 1.00 0.00 N ATOM 300 CA LYS A 19 4.303 -3.189 -11.604 1.00 0.00 C ATOM 301 C LYS A 19 4.217 -2.668 -13.035 1.00 0.00 C ATOM 302 O LYS A 19 4.987 -3.080 -13.904 1.00 0.00 O ATOM 303 CB LYS A 19 3.613 -4.550 -11.497 1.00 0.00 C ATOM 304 CG LYS A 19 2.098 -4.477 -11.598 1.00 0.00 C ATOM 305 CD LYS A 19 1.593 -5.078 -12.901 1.00 0.00 C ATOM 306 CE LYS A 19 0.307 -5.862 -12.693 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.724 -5.523 -13.714 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.834 -2.550 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 19 5.355 -3.306 -11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.990 -5.201 -12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.883 -5.011 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.651 -5.005 -10.756 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.778 -3.437 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.422 -4.283 -13.627 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.356 -5.734 -13.320 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.522 -6.930 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.087 -5.656 -11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.585 -6.079 -13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.949 -4.509 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.359 -5.744 -14.663 1.00 0.00 H new ATOM 321 N ALA A 20 3.272 -1.766 -13.276 1.00 0.00 N ATOM 322 CA ALA A 20 3.078 -1.194 -14.602 1.00 0.00 C ATOM 323 C ALA A 20 4.124 -0.124 -14.907 1.00 0.00 C ATOM 324 O ALA A 20 4.461 0.110 -16.066 1.00 0.00 O ATOM 325 CB ALA A 20 1.677 -0.613 -14.720 1.00 0.00 C ATOM 0 H ALA A 20 2.627 -1.415 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 20 3.197 -1.993 -15.334 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.542 -0.188 -15.715 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.942 -1.401 -14.559 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.542 0.167 -13.971 1.00 0.00 H new ATOM 331 N LEU A 21 4.633 0.522 -13.862 1.00 0.00 N ATOM 332 CA LEU A 21 5.640 1.566 -14.032 1.00 0.00 C ATOM 333 C LEU A 21 6.974 0.973 -14.484 1.00 0.00 C ATOM 334 O LEU A 21 7.804 1.668 -15.070 1.00 0.00 O ATOM 335 CB LEU A 21 5.819 2.354 -12.727 1.00 0.00 C ATOM 336 CG LEU A 21 6.730 1.702 -11.680 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.136 2.275 -11.765 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.158 1.890 -10.281 1.00 0.00 C ATOM 0 H LEU A 21 4.367 0.343 -12.894 1.00 0.00 H new ATOM 0 HA LEU A 21 5.293 2.248 -14.808 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.220 3.338 -12.970 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.837 2.511 -12.281 1.00 0.00 H new ATOM 0 HG LEU A 21 6.782 0.633 -11.888 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.768 1.800 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.546 2.086 -12.757 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.103 3.349 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.818 1.421 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.074 2.955 -10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.172 1.430 -10.226 1.00 0.00 H new ATOM 350 N GLY A 22 7.173 -0.313 -14.208 1.00 0.00 N ATOM 351 CA GLY A 22 8.405 -0.971 -14.597 1.00 0.00 C ATOM 352 C GLY A 22 8.818 -2.055 -13.619 1.00 0.00 C ATOM 353 O GLY A 22 7.973 -2.651 -12.950 1.00 0.00 O ATOM 0 H GLY A 22 6.503 -0.909 -13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.283 -1.408 -15.588 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.201 -0.230 -14.671 1.00 0.00 H new ATOM 357 N GLY A 23 10.119 -2.309 -13.534 1.00 0.00 N ATOM 358 CA GLY A 23 10.618 -3.327 -12.628 1.00 0.00 C ATOM 359 C GLY A 23 12.124 -3.484 -12.705 1.00 0.00 C ATOM 360 O GLY A 23 12.658 -3.908 -13.730 1.00 0.00 O ATOM 0 H GLY A 23 10.837 -1.828 -14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.334 -3.071 -11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.144 -4.280 -12.861 1.00 0.00 H new ATOM 364 N GLY A 24 12.809 -3.142 -11.619 1.00 0.00 N ATOM 365 CA GLY A 24 14.255 -3.255 -11.589 1.00 0.00 C ATOM 366 C GLY A 24 14.895 -2.258 -10.641 1.00 0.00 C ATOM 367 O GLY A 24 15.218 -1.137 -11.035 1.00 0.00 O ATOM 0 H GLY A 24 12.389 -2.789 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.531 -4.266 -11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.649 -3.101 -12.593 1.00 0.00 H new ATOM 371 N GLY A 25 15.079 -2.667 -9.390 1.00 0.00 N ATOM 372 CA GLY A 25 15.684 -1.791 -8.405 1.00 0.00 C ATOM 373 C GLY A 25 14.653 -1.027 -7.597 1.00 0.00 C ATOM 374 O GLY A 25 13.925 -1.611 -6.794 1.00 0.00 O ATOM 0 H GLY A 25 14.820 -3.590 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.305 -2.381 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.343 -1.084 -8.908 1.00 0.00 H new ATOM 378 N ARG A 26 14.590 0.285 -7.812 1.00 0.00 N ATOM 379 CA ARG A 26 13.642 1.134 -7.099 1.00 0.00 C ATOM 380 C ARG A 26 12.211 0.646 -7.303 1.00 0.00 C ATOM 381 O ARG A 26 11.402 0.673 -6.382 1.00 0.00 O ATOM 382 CB ARG A 26 13.773 2.587 -7.574 1.00 0.00 C ATOM 383 CG ARG A 26 12.576 3.465 -7.226 1.00 0.00 C ATOM 384 CD ARG A 26 13.009 4.851 -6.777 1.00 0.00 C ATOM 385 NE ARG A 26 13.502 4.854 -5.403 1.00 0.00 N ATOM 386 CZ ARG A 26 13.905 5.949 -4.762 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.879 7.129 -5.369 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 14.335 5.865 -3.510 1.00 0.00 N ATOM 0 H ARG A 26 15.185 0.782 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 26 13.873 1.082 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.670 3.023 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.913 2.594 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.923 3.551 -8.094 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.994 2.991 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.789 5.220 -7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.167 5.538 -6.861 1.00 0.00 H new ATOM 0 HE ARG A 26 13.540 3.965 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.549 7.200 -6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.189 7.965 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.357 4.961 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.644 6.704 -3.019 1.00 0.00 H new ATOM 402 N ILE A 27 11.906 0.218 -8.520 1.00 0.00 N ATOM 403 CA ILE A 27 10.572 -0.267 -8.857 1.00 0.00 C ATOM 404 C ILE A 27 10.238 -1.585 -8.152 1.00 0.00 C ATOM 405 O ILE A 27 9.134 -1.761 -7.636 1.00 0.00 O ATOM 406 CB ILE A 27 10.416 -0.466 -10.379 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.972 0.742 -11.139 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.955 -0.693 -10.735 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.984 0.558 -12.640 1.00 0.00 C ATOM 0 H ILE A 27 12.568 0.196 -9.296 1.00 0.00 H new ATOM 0 HA ILE A 27 9.878 0.499 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 27 10.986 -1.348 -10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.376 1.621 -10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.988 0.940 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.860 -0.832 -11.812 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.589 -1.582 -10.221 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.367 0.172 -10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.390 1.452 -13.113 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.604 -0.301 -12.896 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.967 0.390 -12.994 1.00 0.00 H new ATOM 421 N GLU A 28 11.188 -2.518 -8.164 1.00 0.00 N ATOM 422 CA GLU A 28 10.990 -3.837 -7.559 1.00 0.00 C ATOM 423 C GLU A 28 10.908 -3.785 -6.033 1.00 0.00 C ATOM 424 O GLU A 28 10.031 -4.402 -5.434 1.00 0.00 O ATOM 425 CB GLU A 28 12.124 -4.776 -7.976 1.00 0.00 C ATOM 426 CG GLU A 28 12.063 -5.193 -9.436 1.00 0.00 C ATOM 427 CD GLU A 28 11.832 -6.683 -9.610 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.902 -7.217 -8.971 1.00 0.00 O ATOM 429 OE2 GLU A 28 12.582 -7.313 -10.385 1.00 0.00 O1- ATOM 0 H GLU A 28 12.106 -2.386 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 28 10.033 -4.211 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.079 -4.286 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.094 -5.668 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.263 -4.645 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.994 -4.914 -9.929 1.00 0.00 H new ATOM 436 N GLU A 29 11.834 -3.073 -5.409 1.00 0.00 N ATOM 437 CA GLU A 29 11.870 -2.971 -3.950 1.00 0.00 C ATOM 438 C GLU A 29 10.598 -2.335 -3.391 1.00 0.00 C ATOM 439 O GLU A 29 10.110 -2.724 -2.329 1.00 0.00 O ATOM 440 CB GLU A 29 13.094 -2.164 -3.506 1.00 0.00 C ATOM 441 CG GLU A 29 13.034 -0.695 -3.892 1.00 0.00 C ATOM 442 CD GLU A 29 14.166 0.112 -3.288 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.512 -0.136 -2.113 1.00 0.00 O ATOM 444 OE2 GLU A 29 14.708 0.993 -3.988 1.00 0.00 O1- ATOM 0 H GLU A 29 12.572 -2.556 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 29 11.937 -3.984 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.195 -2.242 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.988 -2.608 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.069 -0.607 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.081 -0.276 -3.568 1.00 0.00 H new ATOM 451 N LEU A 30 10.087 -1.337 -4.097 1.00 0.00 N ATOM 452 CA LEU A 30 8.898 -0.610 -3.677 1.00 0.00 C ATOM 453 C LEU A 30 7.679 -1.520 -3.515 1.00 0.00 C ATOM 454 O LEU A 30 6.959 -1.428 -2.520 1.00 0.00 O ATOM 455 CB LEU A 30 8.600 0.483 -4.702 1.00 0.00 C ATOM 456 CG LEU A 30 8.274 1.858 -4.121 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.526 2.500 -3.544 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.660 2.750 -5.189 1.00 0.00 C ATOM 0 H LEU A 30 10.485 -1.008 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 30 9.099 -0.175 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.461 0.582 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.761 0.160 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 30 7.549 1.734 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.277 3.479 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.928 1.867 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.272 2.615 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.433 3.726 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.364 2.870 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.742 2.294 -5.560 1.00 0.00 H new ATOM 470 N LYS A 31 7.442 -2.387 -4.494 1.00 0.00 N ATOM 471 CA LYS A 31 6.294 -3.295 -4.440 1.00 0.00 C ATOM 472 C LYS A 31 6.429 -4.306 -3.310 1.00 0.00 C ATOM 473 O LYS A 31 5.434 -4.696 -2.705 1.00 0.00 O ATOM 474 CB LYS A 31 6.065 -4.017 -5.771 1.00 0.00 C ATOM 475 CG LYS A 31 7.331 -4.304 -6.563 1.00 0.00 C ATOM 476 CD LYS A 31 7.036 -5.139 -7.801 1.00 0.00 C ATOM 477 CE LYS A 31 7.738 -6.488 -7.745 1.00 0.00 C ATOM 478 NZ LYS A 31 7.651 -7.214 -9.042 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.021 -2.483 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 31 5.421 -2.673 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.554 -4.959 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.397 -3.414 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.797 -3.364 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.046 -4.829 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.960 -5.291 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.357 -4.598 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.785 -6.341 -7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.293 -7.096 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.118 -8.098 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.165 -6.618 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.609 -7.435 -9.381 1.00 0.00 H new ATOM 492 N LYS A 32 7.655 -4.734 -3.029 1.00 0.00 N ATOM 493 CA LYS A 32 7.891 -5.706 -1.965 1.00 0.00 C ATOM 494 C LYS A 32 7.330 -5.188 -0.646 1.00 0.00 C ATOM 495 O LYS A 32 6.736 -5.937 0.128 1.00 0.00 O ATOM 496 CB LYS A 32 9.389 -5.990 -1.823 1.00 0.00 C ATOM 497 CG LYS A 32 9.990 -6.698 -3.027 1.00 0.00 C ATOM 498 CD LYS A 32 11.493 -6.868 -2.879 1.00 0.00 C ATOM 499 CE LYS A 32 12.044 -7.855 -3.895 1.00 0.00 C ATOM 500 NZ LYS A 32 13.522 -7.742 -4.037 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.496 -4.427 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 32 7.383 -6.635 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.916 -5.049 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.552 -6.600 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.522 -7.675 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.774 -6.128 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.984 -5.903 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.724 -7.214 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.785 -8.870 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.572 -7.681 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.857 -8.432 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.768 -6.782 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.974 -7.933 -3.120 1.00 0.00 H new ATOM 514 N LYS A 33 7.508 -3.894 -0.411 1.00 0.00 N ATOM 515 CA LYS A 33 7.005 -3.255 0.796 1.00 0.00 C ATOM 516 C LYS A 33 5.479 -3.241 0.791 1.00 0.00 C ATOM 517 O LYS A 33 4.839 -3.366 1.834 1.00 0.00 O ATOM 518 CB LYS A 33 7.543 -1.827 0.909 1.00 0.00 C ATOM 519 CG LYS A 33 7.144 -1.127 2.197 1.00 0.00 C ATOM 520 CD LYS A 33 8.255 -1.189 3.233 1.00 0.00 C ATOM 521 CE LYS A 33 9.413 -0.277 2.863 1.00 0.00 C ATOM 522 NZ LYS A 33 9.279 1.074 3.479 1.00 0.00 N1+ ATOM 0 H LYS A 33 8.000 -3.264 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 33 7.349 -3.827 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.631 -1.851 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.183 -1.244 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.900 -0.086 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.243 -1.590 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.861 -0.902 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.613 -2.215 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.350 -0.731 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.464 -0.178 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.089 1.664 3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.398 1.519 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.256 0.983 4.515 1.00 0.00 H new ATOM 536 N TYR A 34 4.907 -3.075 -0.399 1.00 0.00 N ATOM 537 CA TYR A 34 3.459 -3.027 -0.562 1.00 0.00 C ATOM 538 C TYR A 34 2.789 -4.285 -0.008 1.00 0.00 C ATOM 539 O TYR A 34 1.709 -4.210 0.578 1.00 0.00 O ATOM 540 CB TYR A 34 3.098 -2.849 -2.042 1.00 0.00 C ATOM 541 CG TYR A 34 2.255 -1.627 -2.311 1.00 0.00 C ATOM 542 CD1 TYR A 34 1.014 -1.473 -1.713 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.706 -0.625 -3.161 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.242 -0.355 -1.953 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.939 0.497 -3.407 1.00 0.00 C ATOM 546 CZ TYR A 34 0.709 0.628 -2.800 1.00 0.00 C ATOM 547 OH TYR A 34 -0.054 1.748 -3.036 1.00 0.00 O ATOM 0 H TYR A 34 5.429 -2.971 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 34 3.090 -2.173 0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.016 -2.784 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.562 -3.734 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.645 -2.241 -1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.671 -0.725 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.723 -0.250 -1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.301 1.267 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 34 0.494 2.550 -2.906 1.00 0.00 H new ATOM 557 N GLU A 35 3.430 -5.437 -0.191 1.00 0.00 N ATOM 558 CA GLU A 35 2.884 -6.699 0.299 1.00 0.00 C ATOM 559 C GLU A 35 2.633 -6.630 1.802 1.00 0.00 C ATOM 560 O GLU A 35 1.587 -7.058 2.289 1.00 0.00 O ATOM 561 CB GLU A 35 3.840 -7.850 -0.020 1.00 0.00 C ATOM 562 CG GLU A 35 4.265 -7.901 -1.479 1.00 0.00 C ATOM 563 CD GLU A 35 3.988 -9.245 -2.122 1.00 0.00 C ATOM 564 OE1 GLU A 35 4.214 -10.279 -1.458 1.00 0.00 O ATOM 565 OE2 GLU A 35 3.543 -9.265 -3.289 1.00 0.00 O1- ATOM 0 H GLU A 35 4.325 -5.522 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 35 1.934 -6.878 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.728 -7.758 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.361 -8.793 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.741 -7.123 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.330 -7.681 -1.551 1.00 0.00 H new ATOM 572 N GLU A 36 3.599 -6.079 2.528 1.00 0.00 N ATOM 573 CA GLU A 36 3.490 -5.938 3.974 1.00 0.00 C ATOM 574 C GLU A 36 2.259 -5.120 4.345 1.00 0.00 C ATOM 575 O GLU A 36 1.594 -5.394 5.341 1.00 0.00 O ATOM 576 CB GLU A 36 4.748 -5.275 4.540 1.00 0.00 C ATOM 577 CG GLU A 36 4.857 -5.367 6.052 1.00 0.00 C ATOM 578 CD GLU A 36 5.989 -6.271 6.502 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.033 -7.435 6.053 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.830 -5.814 7.304 1.00 0.00 O1- ATOM 0 H GLU A 36 4.470 -5.721 2.136 1.00 0.00 H new ATOM 0 HA GLU A 36 3.389 -6.933 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.626 -5.740 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.758 -4.225 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.009 -4.369 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.917 -5.739 6.458 1.00 0.00 H new ATOM 587 N LEU A 37 1.974 -4.105 3.539 1.00 0.00 N ATOM 588 CA LEU A 37 0.834 -3.225 3.769 1.00 0.00 C ATOM 589 C LEU A 37 -0.484 -3.999 3.785 1.00 0.00 C ATOM 590 O LEU A 37 -1.379 -3.706 4.579 1.00 0.00 O ATOM 591 CB LEU A 37 0.783 -2.152 2.677 1.00 0.00 C ATOM 592 CG LEU A 37 1.118 -0.733 3.134 1.00 0.00 C ATOM 593 CD1 LEU A 37 0.817 0.267 2.028 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.348 -0.381 4.399 1.00 0.00 C ATOM 0 H LEU A 37 2.523 -3.869 2.712 1.00 0.00 H new ATOM 0 HA LEU A 37 0.963 -2.760 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.476 -2.433 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.216 -2.149 2.242 1.00 0.00 H new ATOM 0 HG LEU A 37 2.183 -0.687 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.061 1.273 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.415 0.028 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.241 0.218 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.600 0.633 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.722 -0.445 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.614 -1.079 5.193 1.00 0.00 H new ATOM 606 N LYS A 38 -0.603 -4.968 2.888 1.00 0.00 N ATOM 607 CA LYS A 38 -1.819 -5.771 2.770 1.00 0.00 C ATOM 608 C LYS A 38 -2.104 -6.583 4.034 1.00 0.00 C ATOM 609 O LYS A 38 -3.221 -6.569 4.547 1.00 0.00 O ATOM 610 CB LYS A 38 -1.712 -6.709 1.567 1.00 0.00 C ATOM 611 CG LYS A 38 -1.143 -6.044 0.324 1.00 0.00 C ATOM 612 CD LYS A 38 -1.430 -6.859 -0.926 1.00 0.00 C ATOM 613 CE LYS A 38 -0.296 -7.822 -1.237 1.00 0.00 C ATOM 614 NZ LYS A 38 0.104 -8.613 -0.040 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.131 -5.221 2.226 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.650 -5.080 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.083 -7.558 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.701 -7.105 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.571 -5.047 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.066 -5.918 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.356 -7.418 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.581 -6.188 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.603 -8.499 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.564 -7.263 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.769 -9.360 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.562 -7.987 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.739 -9.045 0.388 1.00 0.00 H new ATOM 628 N LYS A 39 -1.098 -7.304 4.517 1.00 0.00 N ATOM 629 CA LYS A 39 -1.247 -8.141 5.706 1.00 0.00 C ATOM 630 C LYS A 39 -1.717 -7.345 6.925 1.00 0.00 C ATOM 631 O LYS A 39 -2.492 -7.846 7.735 1.00 0.00 O ATOM 632 CB LYS A 39 0.070 -8.855 6.023 1.00 0.00 C ATOM 633 CG LYS A 39 1.232 -7.914 6.292 1.00 0.00 C ATOM 634 CD LYS A 39 2.295 -8.577 7.155 1.00 0.00 C ATOM 635 CE LYS A 39 1.986 -8.423 8.636 1.00 0.00 C ATOM 636 NZ LYS A 39 1.423 -9.672 9.220 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.166 -7.327 4.103 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.018 -8.879 5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.075 -9.495 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.329 -9.506 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.673 -7.599 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.867 -7.015 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.361 -9.636 6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.268 -8.137 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.896 -8.151 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.278 -7.606 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.566 -9.445 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.183 -10.335 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.126 -10.109 9.849 1.00 0.00 H new ATOM 650 N LYS A 40 -1.229 -6.117 7.062 1.00 0.00 N ATOM 651 CA LYS A 40 -1.586 -5.269 8.197 1.00 0.00 C ATOM 652 C LYS A 40 -3.089 -5.010 8.256 1.00 0.00 C ATOM 653 O LYS A 40 -3.673 -4.928 9.336 1.00 0.00 O ATOM 654 CB LYS A 40 -0.831 -3.940 8.120 1.00 0.00 C ATOM 655 CG LYS A 40 -0.188 -3.530 9.436 1.00 0.00 C ATOM 656 CD LYS A 40 1.237 -3.040 9.234 1.00 0.00 C ATOM 657 CE LYS A 40 1.288 -1.531 9.062 1.00 0.00 C ATOM 658 NZ LYS A 40 0.998 -0.816 10.335 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.584 -5.685 6.401 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.301 -5.797 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.058 -4.014 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.520 -3.158 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.781 -2.743 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.188 -4.378 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.847 -3.331 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.668 -3.522 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.274 -1.240 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.567 -1.228 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.348 0.161 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.029 -0.806 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.472 -1.303 11.122 1.00 0.00 H new ATOM 672 N ILE A 41 -3.707 -4.881 7.090 1.00 0.00 N ATOM 673 CA ILE A 41 -5.140 -4.631 7.007 1.00 0.00 C ATOM 674 C ILE A 41 -5.927 -5.870 7.412 1.00 0.00 C ATOM 675 O ILE A 41 -6.993 -5.774 8.021 1.00 0.00 O ATOM 676 CB ILE A 41 -5.547 -4.209 5.582 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.719 -3.004 5.132 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.035 -3.888 5.521 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.039 -2.541 3.727 1.00 0.00 C ATOM 0 H ILE A 41 -3.238 -4.945 6.187 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.372 -3.818 7.695 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.350 -5.040 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.887 -2.179 5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.661 -3.259 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.302 -3.592 4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.609 -4.770 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.260 -3.072 6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.415 -1.684 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.844 -3.351 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.089 -2.255 3.669 1.00 0.00 H new ATOM 691 N GLU A 42 -5.386 -7.033 7.074 1.00 0.00 N ATOM 692 CA GLU A 42 -6.018 -8.301 7.402 1.00 0.00 C ATOM 693 C GLU A 42 -6.161 -8.452 8.912 1.00 0.00 C ATOM 694 O GLU A 42 -7.121 -9.047 9.401 1.00 0.00 O ATOM 695 CB GLU A 42 -5.200 -9.462 6.828 1.00 0.00 C ATOM 696 CG GLU A 42 -5.897 -10.197 5.695 1.00 0.00 C ATOM 697 CD GLU A 42 -6.238 -11.631 6.050 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.578 -11.887 7.225 1.00 0.00 O ATOM 699 OE2 GLU A 42 -6.166 -12.497 5.155 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.504 -7.123 6.569 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.013 -8.318 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.245 -9.079 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.979 -10.170 7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.811 -9.665 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.256 -10.188 4.813 1.00 0.00 H new ATOM 706 N GLU A 43 -5.194 -7.909 9.644 1.00 0.00 N ATOM 707 CA GLU A 43 -5.203 -7.981 11.100 1.00 0.00 C ATOM 708 C GLU A 43 -6.196 -6.987 11.692 1.00 0.00 C ATOM 709 O GLU A 43 -6.759 -7.220 12.762 1.00 0.00 O ATOM 710 CB GLU A 43 -3.802 -7.711 11.653 1.00 0.00 C ATOM 711 CG GLU A 43 -2.816 -8.837 11.388 1.00 0.00 C ATOM 712 CD GLU A 43 -1.385 -8.346 11.285 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.058 -7.677 10.283 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -0.591 -8.632 12.206 1.00 0.00 O ATOM 0 H GLU A 43 -4.393 -7.414 9.252 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.513 -8.986 11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.417 -6.791 11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.871 -7.545 12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.887 -9.573 12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.090 -9.345 10.463 1.00 0.00 H new ATOM 721 N LEU A 44 -6.407 -5.878 10.990 1.00 0.00 N ATOM 722 CA LEU A 44 -7.334 -4.848 11.449 1.00 0.00 C ATOM 723 C LEU A 44 -8.732 -5.425 11.652 1.00 0.00 C ATOM 724 O LEU A 44 -9.173 -6.292 10.897 1.00 0.00 O ATOM 725 CB LEU A 44 -7.383 -3.694 10.442 1.00 0.00 C ATOM 726 CG LEU A 44 -6.815 -2.368 10.951 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.550 -1.423 9.791 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.766 -1.733 11.953 1.00 0.00 C ATOM 0 H LEU A 44 -5.950 -5.669 10.102 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.976 -4.470 12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.833 -3.988 9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.419 -3.537 10.142 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.869 -2.567 11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.146 -0.485 10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.832 -1.877 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.482 -1.228 9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.347 -0.790 12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.727 -1.546 11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.906 -2.406 12.799 1.00 0.00 H new ATOM 740 N GLY A 45 -9.423 -4.939 12.678 1.00 0.00 N ATOM 741 CA GLY A 45 -10.764 -5.418 12.963 1.00 0.00 C ATOM 742 C GLY A 45 -11.808 -4.325 12.848 1.00 0.00 C ATOM 743 O GLY A 45 -12.674 -4.374 11.975 1.00 0.00 O ATOM 0 H GLY A 45 -9.079 -4.222 13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.012 -6.226 12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.791 -5.837 13.969 1.00 0.00 H new ATOM 747 N GLY A 46 -11.727 -3.336 13.733 1.00 0.00 N ATOM 748 CA GLY A 46 -12.678 -2.240 13.709 1.00 0.00 C ATOM 749 C GLY A 46 -12.259 -1.089 14.604 1.00 0.00 C ATOM 750 O GLY A 46 -12.122 -1.254 15.815 1.00 0.00 O ATOM 0 H GLY A 46 -11.020 -3.274 14.466 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.787 -1.880 12.686 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.656 -2.604 14.024 1.00 0.00 H new ATOM 754 N GLY A 47 -12.056 0.079 14.003 1.00 0.00 N ATOM 755 CA GLY A 47 -11.652 1.244 14.768 1.00 0.00 C ATOM 756 C GLY A 47 -11.086 2.346 13.892 1.00 0.00 C ATOM 757 O GLY A 47 -10.964 2.182 12.679 1.00 0.00 O ATOM 0 H GLY A 47 -12.164 0.239 13.001 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.510 1.628 15.320 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.904 0.950 15.505 1.00 0.00 H new ATOM 761 N GLY A 48 -10.742 3.471 14.509 1.00 0.00 N ATOM 762 CA GLY A 48 -10.191 4.588 13.765 1.00 0.00 C ATOM 763 C GLY A 48 -8.784 4.323 13.259 1.00 0.00 C ATOM 764 O GLY A 48 -8.271 5.066 12.423 1.00 0.00 O ATOM 0 H GLY A 48 -10.835 3.629 15.512 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.841 4.810 12.918 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.182 5.473 14.401 1.00 0.00 H new ATOM 768 N GLU A 49 -8.158 3.263 13.764 1.00 0.00 N ATOM 769 CA GLU A 49 -6.804 2.911 13.354 1.00 0.00 C ATOM 770 C GLU A 49 -6.743 2.614 11.858 1.00 0.00 C ATOM 771 O GLU A 49 -5.685 2.722 11.238 1.00 0.00 O ATOM 772 CB GLU A 49 -6.307 1.701 14.146 1.00 0.00 C ATOM 773 CG GLU A 49 -4.867 1.322 13.839 1.00 0.00 C ATOM 774 CD GLU A 49 -4.043 1.089 15.091 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.120 -0.024 15.652 1.00 0.00 O ATOM 776 OE2 GLU A 49 -3.322 2.019 15.509 1.00 0.00 O1- ATOM 0 H GLU A 49 -8.567 2.635 14.456 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.158 3.764 13.561 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.399 1.912 15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.952 0.848 13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.856 0.419 13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.406 2.113 13.247 1.00 0.00 H new ATOM 783 N VAL A 50 -7.882 2.240 11.283 1.00 0.00 N ATOM 784 CA VAL A 50 -7.952 1.929 9.859 1.00 0.00 C ATOM 785 C VAL A 50 -7.449 3.096 9.016 1.00 0.00 C ATOM 786 O VAL A 50 -6.901 2.901 7.931 1.00 0.00 O ATOM 787 CB VAL A 50 -9.392 1.586 9.430 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.810 0.237 9.996 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.355 2.680 9.866 1.00 0.00 C ATOM 0 H VAL A 50 -8.768 2.145 11.780 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.313 1.062 9.693 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.423 1.522 8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.829 0.011 9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.137 -0.537 9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.763 0.269 11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.367 2.420 9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.324 2.781 10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.065 3.625 9.406 1.00 0.00 H new ATOM 799 N LYS A 51 -7.639 4.309 9.522 1.00 0.00 N ATOM 800 CA LYS A 51 -7.203 5.509 8.817 1.00 0.00 C ATOM 801 C LYS A 51 -5.680 5.586 8.769 1.00 0.00 C ATOM 802 O LYS A 51 -5.104 6.098 7.808 1.00 0.00 O ATOM 803 CB LYS A 51 -7.769 6.757 9.494 1.00 0.00 C ATOM 804 CG LYS A 51 -9.118 7.191 8.941 1.00 0.00 C ATOM 805 CD LYS A 51 -10.229 6.255 9.388 1.00 0.00 C ATOM 806 CE LYS A 51 -11.594 6.761 8.947 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.077 6.060 7.724 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.092 4.488 10.418 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.579 5.459 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.868 6.567 10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.059 7.576 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.339 8.205 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.076 7.214 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.057 5.261 8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.209 6.157 10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.312 6.619 9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.539 7.832 8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.010 6.433 7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.405 6.216 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.154 5.041 7.916 1.00 0.00 H new ATOM 821 N LYS A 52 -5.034 5.073 9.812 1.00 0.00 N ATOM 822 CA LYS A 52 -3.578 5.082 9.890 1.00 0.00 C ATOM 823 C LYS A 52 -2.968 4.269 8.752 1.00 0.00 C ATOM 824 O LYS A 52 -1.898 4.599 8.245 1.00 0.00 O ATOM 825 CB LYS A 52 -3.117 4.527 11.240 1.00 0.00 C ATOM 826 CG LYS A 52 -2.548 5.585 12.172 1.00 0.00 C ATOM 827 CD LYS A 52 -3.580 6.046 13.189 1.00 0.00 C ATOM 828 CE LYS A 52 -3.166 7.351 13.848 1.00 0.00 C ATOM 829 NZ LYS A 52 -4.321 8.041 14.488 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.496 4.646 10.615 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.238 6.113 9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.960 4.039 11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.361 3.761 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.678 5.184 12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.205 6.439 11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.544 6.175 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.710 5.277 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.401 7.152 14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.718 8.008 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.997 8.927 14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.041 8.254 13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.733 7.425 15.217 1.00 0.00 H new ATOM 843 N VAL A 53 -3.658 3.204 8.359 1.00 0.00 N ATOM 844 CA VAL A 53 -3.190 2.338 7.282 1.00 0.00 C ATOM 845 C VAL A 53 -3.195 3.067 5.942 1.00 0.00 C ATOM 846 O VAL A 53 -2.292 2.887 5.132 1.00 0.00 O ATOM 847 CB VAL A 53 -4.058 1.068 7.170 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.523 0.139 6.087 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.128 0.352 8.511 1.00 0.00 C ATOM 0 H VAL A 53 -4.546 2.919 8.771 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.167 2.052 7.528 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.067 1.367 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.151 -0.750 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.532 0.656 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.502 -0.155 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.744 -0.542 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.123 0.068 8.825 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.566 1.016 9.256 1.00 0.00 H new ATOM 859 N GLU A 54 -4.217 3.886 5.713 1.00 0.00 N ATOM 860 CA GLU A 54 -4.328 4.636 4.466 1.00 0.00 C ATOM 861 C GLU A 54 -3.126 5.557 4.277 1.00 0.00 C ATOM 862 O GLU A 54 -2.679 5.789 3.155 1.00 0.00 O ATOM 863 CB GLU A 54 -5.621 5.453 4.446 1.00 0.00 C ATOM 864 CG GLU A 54 -6.854 4.651 4.829 1.00 0.00 C ATOM 865 CD GLU A 54 -8.125 5.213 4.222 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.038 5.865 3.160 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.207 5.003 4.809 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.978 4.047 6.372 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.349 3.921 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.519 6.296 5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.763 5.868 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.727 3.618 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.950 4.635 5.915 1.00 0.00 H new ATOM 874 N GLU A 55 -2.608 6.078 5.381 1.00 0.00 N ATOM 875 CA GLU A 55 -1.454 6.969 5.347 1.00 0.00 C ATOM 876 C GLU A 55 -0.190 6.203 4.965 1.00 0.00 C ATOM 877 O GLU A 55 0.686 6.725 4.277 1.00 0.00 O ATOM 878 CB GLU A 55 -1.264 7.646 6.707 1.00 0.00 C ATOM 879 CG GLU A 55 -1.883 9.032 6.787 1.00 0.00 C ATOM 880 CD GLU A 55 -1.174 9.929 7.784 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.063 10.069 7.681 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -1.857 10.489 8.666 1.00 0.00 O ATOM 0 H GLU A 55 -2.971 5.898 6.317 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.637 7.734 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.702 7.016 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.198 7.720 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.855 9.496 5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.933 8.942 7.067 1.00 0.00 H new ATOM 889 N GLU A 56 -0.100 4.969 5.441 1.00 0.00 N ATOM 890 CA GLU A 56 1.054 4.115 5.183 1.00 0.00 C ATOM 891 C GLU A 56 1.282 3.895 3.687 1.00 0.00 C ATOM 892 O GLU A 56 2.410 3.982 3.204 1.00 0.00 O ATOM 893 CB GLU A 56 0.849 2.769 5.882 1.00 0.00 C ATOM 894 CG GLU A 56 1.633 2.627 7.173 1.00 0.00 C ATOM 895 CD GLU A 56 3.107 2.363 6.936 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.725 3.110 6.149 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.644 1.410 7.539 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.821 4.532 6.015 1.00 0.00 H new ATOM 0 HA GLU A 56 1.939 4.615 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.212 2.638 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.138 1.968 5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.521 3.537 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.212 1.812 7.761 1.00 0.00 H new ATOM 904 N VAL A 57 0.210 3.597 2.965 1.00 0.00 N ATOM 905 CA VAL A 57 0.292 3.347 1.529 1.00 0.00 C ATOM 906 C VAL A 57 0.607 4.617 0.740 1.00 0.00 C ATOM 907 O VAL A 57 1.303 4.568 -0.274 1.00 0.00 O ATOM 908 CB VAL A 57 -1.005 2.704 0.988 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.081 3.751 0.734 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.708 1.915 -0.278 1.00 0.00 C ATOM 0 H VAL A 57 -0.731 3.522 3.351 1.00 0.00 H new ATOM 0 HA VAL A 57 1.115 2.647 1.389 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.388 2.021 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.979 3.265 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.314 4.267 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.721 4.472 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.628 1.466 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.297 2.583 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.015 1.130 -0.056 1.00 0.00 H new ATOM 920 N LYS A 58 0.079 5.749 1.195 1.00 0.00 N ATOM 921 CA LYS A 58 0.294 7.023 0.515 1.00 0.00 C ATOM 922 C LYS A 58 1.784 7.305 0.328 1.00 0.00 C ATOM 923 O LYS A 58 2.189 7.915 -0.658 1.00 0.00 O ATOM 924 CB LYS A 58 -0.389 8.165 1.281 1.00 0.00 C ATOM 925 CG LYS A 58 0.426 8.724 2.441 1.00 0.00 C ATOM 926 CD LYS A 58 0.953 10.119 2.137 1.00 0.00 C ATOM 927 CE LYS A 58 0.681 11.080 3.283 1.00 0.00 C ATOM 928 NZ LYS A 58 1.872 11.914 3.603 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.501 5.811 2.032 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.156 6.957 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.607 8.974 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.345 7.808 1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.192 8.756 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.262 8.057 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.025 10.071 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.486 10.495 1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.156 11.728 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.385 10.516 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.645 12.556 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.664 11.298 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.140 12.472 2.767 1.00 0.00 H new ATOM 942 N LYS A 59 2.596 6.864 1.280 1.00 0.00 N ATOM 943 CA LYS A 59 4.038 7.068 1.210 1.00 0.00 C ATOM 944 C LYS A 59 4.659 6.245 0.079 1.00 0.00 C ATOM 945 O LYS A 59 5.593 6.690 -0.587 1.00 0.00 O ATOM 946 CB LYS A 59 4.690 6.692 2.542 1.00 0.00 C ATOM 947 CG LYS A 59 4.058 7.377 3.741 1.00 0.00 C ATOM 948 CD LYS A 59 4.512 6.747 5.047 1.00 0.00 C ATOM 949 CE LYS A 59 4.039 7.549 6.249 1.00 0.00 C ATOM 950 NZ LYS A 59 2.881 6.904 6.928 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.281 6.362 2.110 1.00 0.00 H new ATOM 0 HA LYS A 59 4.217 8.123 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.627 5.612 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.749 6.948 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.320 8.435 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.972 7.317 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.128 5.729 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.600 6.678 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.860 7.659 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.759 8.552 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.590 7.482 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.088 6.822 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.155 5.956 7.257 1.00 0.00 H new ATOM 964 N LEU A 60 4.143 5.033 -0.111 1.00 0.00 N ATOM 965 CA LEU A 60 4.649 4.121 -1.138 1.00 0.00 C ATOM 966 C LEU A 60 4.548 4.715 -2.542 1.00 0.00 C ATOM 967 O LEU A 60 5.492 4.628 -3.327 1.00 0.00 O ATOM 968 CB LEU A 60 3.872 2.801 -1.077 1.00 0.00 C ATOM 969 CG LEU A 60 4.706 1.537 -1.293 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.162 1.438 -2.741 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.900 1.515 -0.353 1.00 0.00 C ATOM 0 H LEU A 60 3.369 4.656 0.436 1.00 0.00 H new ATOM 0 HA LEU A 60 5.706 3.948 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.383 2.731 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.083 2.828 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 60 4.081 0.672 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.754 0.533 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.291 1.402 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.769 2.308 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.480 0.608 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.527 2.387 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.551 1.534 0.679 1.00 0.00 H new ATOM 983 N GLU A 61 3.404 5.310 -2.858 1.00 0.00 N ATOM 984 CA GLU A 61 3.196 5.906 -4.176 1.00 0.00 C ATOM 985 C GLU A 61 4.066 7.145 -4.360 1.00 0.00 C ATOM 986 O GLU A 61 4.527 7.433 -5.464 1.00 0.00 O ATOM 987 CB GLU A 61 1.722 6.259 -4.385 1.00 0.00 C ATOM 988 CG GLU A 61 1.102 7.011 -3.221 1.00 0.00 C ATOM 989 CD GLU A 61 0.731 8.437 -3.577 1.00 0.00 C ATOM 990 OE1 GLU A 61 -0.172 8.623 -4.421 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.342 9.369 -3.014 1.00 0.00 O1- ATOM 0 H GLU A 61 2.609 5.394 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 61 3.487 5.169 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.627 6.863 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.159 5.341 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.211 6.481 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.802 7.020 -2.385 1.00 0.00 H new ATOM 998 N GLU A 62 4.287 7.877 -3.272 1.00 0.00 N ATOM 999 CA GLU A 62 5.103 9.086 -3.312 1.00 0.00 C ATOM 1000 C GLU A 62 6.479 8.788 -3.896 1.00 0.00 C ATOM 1001 O GLU A 62 7.011 9.566 -4.688 1.00 0.00 O ATOM 1002 CB GLU A 62 5.249 9.676 -1.908 1.00 0.00 C ATOM 1003 CG GLU A 62 4.015 10.424 -1.431 1.00 0.00 C ATOM 1004 CD GLU A 62 3.986 11.863 -1.908 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.800 12.669 -1.409 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.151 12.183 -2.779 1.00 0.00 O1- ATOM 0 H GLU A 62 3.912 7.653 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 62 4.603 9.813 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.470 8.872 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.102 10.354 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.122 9.909 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.982 10.405 -0.342 1.00 0.00 H new ATOM 1013 N GLU A 63 7.043 7.649 -3.508 1.00 0.00 N ATOM 1014 CA GLU A 63 8.350 7.240 -4.001 1.00 0.00 C ATOM 1015 C GLU A 63 8.279 6.950 -5.495 1.00 0.00 C ATOM 1016 O GLU A 63 9.238 7.180 -6.232 1.00 0.00 O ATOM 1017 CB GLU A 63 8.842 6.000 -3.252 1.00 0.00 C ATOM 1018 CG GLU A 63 8.716 6.109 -1.743 1.00 0.00 C ATOM 1019 CD GLU A 63 9.665 7.134 -1.151 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.719 8.266 -1.676 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.353 6.805 -0.162 1.00 0.00 O ATOM 0 H GLU A 63 6.614 6.994 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 63 9.054 8.054 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.277 5.132 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.886 5.822 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.691 6.377 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.913 5.135 -1.294 1.00 0.00 H new ATOM 1028 N ILE A 64 7.129 6.450 -5.933 1.00 0.00 N ATOM 1029 CA ILE A 64 6.921 6.131 -7.343 1.00 0.00 C ATOM 1030 C ILE A 64 7.085 7.374 -8.214 1.00 0.00 C ATOM 1031 O ILE A 64 7.536 7.291 -9.356 1.00 0.00 O ATOM 1032 CB ILE A 64 5.523 5.526 -7.585 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.308 4.307 -6.687 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.351 5.147 -9.052 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.948 3.665 -6.856 1.00 0.00 C ATOM 0 H ILE A 64 6.327 6.257 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 64 7.676 5.394 -7.617 1.00 0.00 H new ATOM 0 HB ILE A 64 4.773 6.276 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.079 3.567 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.433 4.606 -5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.359 4.722 -9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.464 6.036 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.107 4.412 -9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.865 2.807 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.171 4.390 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.827 3.335 -7.888 1.00 0.00 H new ATOM 1047 N LYS A 65 6.712 8.527 -7.668 1.00 0.00 N ATOM 1048 CA LYS A 65 6.819 9.784 -8.398 1.00 0.00 C ATOM 1049 C LYS A 65 8.280 10.164 -8.615 1.00 0.00 C ATOM 1050 O LYS A 65 8.614 10.860 -9.574 1.00 0.00 O ATOM 1051 CB LYS A 65 6.095 10.900 -7.640 1.00 0.00 C ATOM 1052 CG LYS A 65 4.586 10.727 -7.600 1.00 0.00 C ATOM 1053 CD LYS A 65 3.992 10.690 -8.999 1.00 0.00 C ATOM 1054 CE LYS A 65 2.533 11.117 -8.996 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.632 10.014 -8.564 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.334 8.616 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 65 6.349 9.652 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.475 10.941 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.331 11.857 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.338 9.805 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.140 11.546 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.563 11.347 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.076 9.682 -9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.406 11.971 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.249 11.447 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.646 10.346 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.734 9.208 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.885 9.716 -7.600 1.00 0.00 H new ATOM 1069 N LYS A 66 9.148 9.701 -7.720 1.00 0.00 N ATOM 1070 CA LYS A 66 10.573 9.993 -7.815 1.00 0.00 C ATOM 1071 C LYS A 66 11.251 9.091 -8.844 1.00 0.00 C ATOM 1072 O LYS A 66 12.310 9.428 -9.373 1.00 0.00 O ATOM 1073 CB LYS A 66 11.241 9.822 -6.449 1.00 0.00 C ATOM 1074 CG LYS A 66 10.802 10.856 -5.426 1.00 0.00 C ATOM 1075 CD LYS A 66 11.967 11.323 -4.565 1.00 0.00 C ATOM 1076 CE LYS A 66 11.978 12.836 -4.412 1.00 0.00 C ATOM 1077 NZ LYS A 66 12.945 13.481 -5.341 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.889 9.122 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 66 10.684 11.027 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.018 8.826 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.322 9.881 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.362 11.711 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.026 10.432 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.903 10.858 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.905 10.995 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.978 13.227 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.234 13.095 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.922 14.512 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.903 13.127 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.687 13.255 -6.323 1.00 0.00 H new ATOM 1091 N LEU A 67 10.638 7.945 -9.125 1.00 0.00 N ATOM 1092 CA LEU A 67 11.190 7.002 -10.093 1.00 0.00 C ATOM 1093 C LEU A 67 10.558 7.199 -11.467 1.00 0.00 C ATOM 1094 O LEU A 67 9.706 8.103 -11.602 1.00 0.00 O ATOM 1095 CB LEU A 67 10.985 5.559 -9.618 1.00 0.00 C ATOM 1096 CG LEU A 67 9.536 5.156 -9.346 1.00 0.00 C ATOM 1097 CD1 LEU A 67 8.760 5.016 -10.645 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.489 3.857 -8.554 1.00 0.00 C ATOM 1099 OXT LEU A 67 10.921 6.448 -12.397 1.00 0.00 O ATOM 0 H LEU A 67 9.761 7.647 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 67 12.260 7.194 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.396 4.885 -10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.563 5.409 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 67 9.067 5.943 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.732 4.729 -10.425 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.765 5.968 -11.176 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.226 4.251 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.451 3.582 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.977 3.066 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.005 3.992 -7.603 1.00 0.00 H new TER 1111 LEU A 67