USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 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+ -150:sc= -1.87 (180deg=-3.09!) USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= -0.0228 (180deg=-0.441) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -141:sc=-0.00983 (180deg=-0.141) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0475) 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 160:sc= -10.8! USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= -1.91 (180deg=-5.88!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0.383 (180deg=0.321) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc=-0.000846 (180deg=-0.278) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.0441 (180deg=-0.301) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 0.902 (180deg=0.329) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.312 -4.543 7.426 1.00 0.00 N ATOM 11 CA SER A 2 -16.518 -4.277 6.007 1.00 0.00 C ATOM 12 C SER A 2 -15.694 -3.077 5.553 1.00 0.00 C ATOM 13 O SER A 2 -15.187 -3.049 4.431 1.00 0.00 O ATOM 14 CB SER A 2 -18.001 -4.030 5.724 1.00 0.00 C ATOM 15 OG SER A 2 -18.657 -5.232 5.354 1.00 0.00 O ATOM 0 HA SER A 2 -16.189 -5.152 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.478 -3.609 6.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.105 -3.295 4.926 1.00 0.00 H new ATOM 0 HG SER A 2 -19.604 -5.048 5.180 1.00 0.00 H new ATOM 21 N ARG A 3 -15.565 -2.086 6.429 1.00 0.00 N ATOM 22 CA ARG A 3 -14.801 -0.885 6.114 1.00 0.00 C ATOM 23 C ARG A 3 -13.309 -1.195 6.033 1.00 0.00 C ATOM 24 O ARG A 3 -12.588 -0.611 5.224 1.00 0.00 O ATOM 25 CB ARG A 3 -15.057 0.200 7.162 1.00 0.00 C ATOM 26 CG ARG A 3 -14.646 -0.200 8.570 1.00 0.00 C ATOM 27 CD ARG A 3 -13.384 0.522 9.012 1.00 0.00 C ATOM 28 NE ARG A 3 -13.681 1.795 9.667 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.596 2.985 9.069 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.220 3.079 7.800 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.888 4.085 9.748 1.00 0.00 N ATOM 0 H ARG A 3 -15.979 -2.091 7.361 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.130 -0.520 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.515 1.102 6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.118 0.451 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.456 0.025 9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.482 -1.277 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.823 -0.115 9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.746 0.700 8.146 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.972 1.772 10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.993 2.237 7.272 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.158 3.994 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.176 4.020 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.824 4.996 9.294 1.00 0.00 H new ATOM 45 N VAL A 4 -12.852 -2.120 6.871 1.00 0.00 N ATOM 46 CA VAL A 4 -11.446 -2.508 6.887 1.00 0.00 C ATOM 47 C VAL A 4 -11.091 -3.329 5.651 1.00 0.00 C ATOM 48 O VAL A 4 -10.064 -3.096 5.014 1.00 0.00 O ATOM 49 CB VAL A 4 -11.102 -3.326 8.145 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.606 -3.583 8.224 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.595 -2.617 9.397 1.00 0.00 C ATOM 0 H VAL A 4 -13.434 -2.614 7.547 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.864 -1.587 6.892 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.609 -4.288 8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.383 -4.162 9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.285 -4.139 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.075 -2.632 8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.342 -3.211 10.275 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.120 -1.639 9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.676 -2.492 9.342 1.00 0.00 H new ATOM 61 N LYS A 5 -11.949 -4.291 5.315 1.00 0.00 N ATOM 62 CA LYS A 5 -11.718 -5.140 4.151 1.00 0.00 C ATOM 63 C LYS A 5 -11.667 -4.301 2.882 1.00 0.00 C ATOM 64 O LYS A 5 -10.788 -4.481 2.042 1.00 0.00 O ATOM 65 CB LYS A 5 -12.811 -6.205 4.035 1.00 0.00 C ATOM 66 CG LYS A 5 -12.778 -6.976 2.722 1.00 0.00 C ATOM 67 CD LYS A 5 -11.388 -7.518 2.425 1.00 0.00 C ATOM 68 CE LYS A 5 -11.439 -8.952 1.919 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.628 -9.870 2.766 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.805 -4.500 5.829 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.758 -5.640 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.710 -6.908 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.785 -5.727 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.489 -7.801 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.096 -6.324 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.903 -6.887 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.779 -7.472 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.474 -9.294 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.074 -8.988 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.689 -10.837 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.636 -9.559 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.992 -9.856 3.740 1.00 0.00 H new ATOM 83 N ALA A 6 -12.608 -3.372 2.755 1.00 0.00 N ATOM 84 CA ALA A 6 -12.657 -2.496 1.593 1.00 0.00 C ATOM 85 C ALA A 6 -11.340 -1.748 1.447 1.00 0.00 C ATOM 86 O ALA A 6 -10.868 -1.501 0.339 1.00 0.00 O ATOM 87 CB ALA A 6 -13.818 -1.523 1.717 1.00 0.00 C ATOM 0 H ALA A 6 -13.345 -3.207 3.441 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.811 -3.101 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.844 -0.874 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.753 -2.079 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.691 -0.918 2.614 1.00 0.00 H new ATOM 93 N LEU A 7 -10.752 -1.403 2.586 1.00 0.00 N ATOM 94 CA LEU A 7 -9.479 -0.694 2.621 1.00 0.00 C ATOM 95 C LEU A 7 -8.393 -1.498 1.914 1.00 0.00 C ATOM 96 O LEU A 7 -7.544 -0.941 1.219 1.00 0.00 O ATOM 97 CB LEU A 7 -9.074 -0.450 4.074 1.00 0.00 C ATOM 98 CG LEU A 7 -8.280 0.828 4.330 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.937 0.774 3.616 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.074 2.048 3.890 1.00 0.00 C ATOM 0 H LEU A 7 -11.142 -1.605 3.507 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.595 0.259 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.976 -0.425 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.482 -1.299 4.415 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.095 0.910 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.385 1.693 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.364 -0.078 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.099 0.667 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.491 2.949 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.292 1.975 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.008 2.095 4.449 1.00 0.00 H new ATOM 112 N GLU A 8 -8.426 -2.810 2.106 1.00 0.00 N ATOM 113 CA GLU A 8 -7.446 -3.704 1.496 1.00 0.00 C ATOM 114 C GLU A 8 -7.595 -3.746 -0.025 1.00 0.00 C ATOM 115 O GLU A 8 -6.619 -3.936 -0.748 1.00 0.00 O ATOM 116 CB GLU A 8 -7.579 -5.116 2.088 1.00 0.00 C ATOM 117 CG GLU A 8 -8.516 -6.039 1.316 1.00 0.00 C ATOM 118 CD GLU A 8 -7.802 -6.818 0.230 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.693 -6.401 -0.169 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.349 -7.845 -0.223 1.00 0.00 O ATOM 0 H GLU A 8 -9.123 -3.282 2.682 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.452 -3.316 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.591 -5.574 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.935 -5.034 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.986 -6.737 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.315 -5.448 0.869 1.00 0.00 H new ATOM 127 N GLU A 9 -8.826 -3.586 -0.501 1.00 0.00 N ATOM 128 CA GLU A 9 -9.110 -3.626 -1.933 1.00 0.00 C ATOM 129 C GLU A 9 -8.492 -2.441 -2.673 1.00 0.00 C ATOM 130 O GLU A 9 -8.023 -2.584 -3.802 1.00 0.00 O ATOM 131 CB GLU A 9 -10.621 -3.650 -2.168 1.00 0.00 C ATOM 132 CG GLU A 9 -11.252 -5.010 -1.924 1.00 0.00 C ATOM 133 CD GLU A 9 -11.438 -5.805 -3.202 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.371 -5.484 -3.969 1.00 0.00 O ATOM 135 OE2 GLU A 9 -10.652 -6.746 -3.437 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.645 -3.427 0.085 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.660 -4.536 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.094 -2.917 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.826 -3.342 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.627 -5.578 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.219 -4.876 -1.440 1.00 0.00 H new ATOM 142 N LYS A 10 -8.507 -1.269 -2.045 1.00 0.00 N ATOM 143 CA LYS A 10 -7.961 -0.064 -2.661 1.00 0.00 C ATOM 144 C LYS A 10 -6.435 -0.105 -2.717 1.00 0.00 C ATOM 145 O LYS A 10 -5.826 0.396 -3.663 1.00 0.00 O ATOM 146 CB LYS A 10 -8.424 1.179 -1.898 1.00 0.00 C ATOM 147 CG LYS A 10 -8.034 1.180 -0.431 1.00 0.00 C ATOM 148 CD LYS A 10 -8.019 2.588 0.141 1.00 0.00 C ATOM 149 CE LYS A 10 -9.371 3.267 -0.010 1.00 0.00 C ATOM 150 NZ LYS A 10 -10.443 2.546 0.733 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.891 -1.128 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.334 -0.017 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.005 2.064 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.508 1.258 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.735 0.565 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.049 0.729 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.746 2.550 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.256 3.179 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.304 4.292 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.634 3.320 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.353 2.680 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.217 1.532 0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.508 2.922 1.700 1.00 0.00 H new ATOM 164 N VAL A 11 -5.824 -0.697 -1.698 1.00 0.00 N ATOM 165 CA VAL A 11 -4.371 -0.797 -1.629 1.00 0.00 C ATOM 166 C VAL A 11 -3.817 -1.655 -2.765 1.00 0.00 C ATOM 167 O VAL A 11 -2.756 -1.364 -3.317 1.00 0.00 O ATOM 168 CB VAL A 11 -3.923 -1.394 -0.278 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.406 -1.485 -0.198 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.473 -0.570 0.875 1.00 0.00 C ATOM 0 H VAL A 11 -6.313 -1.116 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.976 0.214 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.324 -2.405 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.117 -1.909 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.037 -2.123 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.976 -0.489 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.148 -1.004 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.104 0.453 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.562 -0.567 0.833 1.00 0.00 H new ATOM 180 N LYS A 12 -4.542 -2.714 -3.104 1.00 0.00 N ATOM 181 CA LYS A 12 -4.128 -3.621 -4.167 1.00 0.00 C ATOM 182 C LYS A 12 -4.228 -2.950 -5.527 1.00 0.00 C ATOM 183 O LYS A 12 -3.382 -3.156 -6.394 1.00 0.00 O ATOM 184 CB LYS A 12 -4.973 -4.893 -4.149 1.00 0.00 C ATOM 185 CG LYS A 12 -4.293 -6.077 -4.818 1.00 0.00 C ATOM 186 CD LYS A 12 -4.835 -7.396 -4.294 1.00 0.00 C ATOM 187 CE LYS A 12 -3.765 -8.476 -4.280 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.371 -8.850 -2.894 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.423 -2.966 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.086 -3.887 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.205 -5.152 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.922 -4.698 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.443 -6.023 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.218 -6.028 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.224 -7.255 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.670 -7.719 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.133 -9.358 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.888 -8.125 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.171 -9.870 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.520 -8.319 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.146 -8.623 -2.239 1.00 0.00 H new ATOM 202 N ALA A 13 -5.263 -2.140 -5.709 1.00 0.00 N ATOM 203 CA ALA A 13 -5.452 -1.440 -6.969 1.00 0.00 C ATOM 204 C ALA A 13 -4.219 -0.609 -7.283 1.00 0.00 C ATOM 205 O ALA A 13 -3.805 -0.498 -8.437 1.00 0.00 O ATOM 206 CB ALA A 13 -6.692 -0.559 -6.909 1.00 0.00 C ATOM 0 H ALA A 13 -5.978 -1.954 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.596 -2.172 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.818 -0.043 -7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.568 -1.177 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.579 0.174 -6.111 1.00 0.00 H new ATOM 212 N LEU A 14 -3.620 -0.051 -6.237 1.00 0.00 N ATOM 213 CA LEU A 14 -2.409 0.745 -6.390 1.00 0.00 C ATOM 214 C LEU A 14 -1.227 -0.148 -6.749 1.00 0.00 C ATOM 215 O LEU A 14 -0.301 0.274 -7.433 1.00 0.00 O ATOM 216 CB LEU A 14 -2.106 1.524 -5.109 1.00 0.00 C ATOM 217 CG LEU A 14 -1.322 2.822 -5.320 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.588 3.799 -4.185 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.168 2.532 -5.447 1.00 0.00 C ATOM 0 H LEU A 14 -3.953 -0.135 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.572 1.457 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.047 1.761 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.542 0.881 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.660 3.281 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.022 4.715 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.652 4.032 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.281 3.351 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.709 3.466 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.523 2.048 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.339 1.873 -6.298 1.00 0.00 H new ATOM 231 N GLU A 15 -1.266 -1.384 -6.265 1.00 0.00 N ATOM 232 CA GLU A 15 -0.201 -2.351 -6.514 1.00 0.00 C ATOM 233 C GLU A 15 0.064 -2.537 -8.008 1.00 0.00 C ATOM 234 O GLU A 15 1.210 -2.686 -8.430 1.00 0.00 O ATOM 235 CB GLU A 15 -0.574 -3.696 -5.888 1.00 0.00 C ATOM 236 CG GLU A 15 0.537 -4.726 -5.953 1.00 0.00 C ATOM 237 CD GLU A 15 0.137 -5.972 -6.719 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.670 -5.854 -7.666 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.630 -7.066 -6.372 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.030 -1.743 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 15 0.712 -1.965 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.850 -3.538 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.454 -4.091 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.413 -4.280 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.828 -5.005 -4.940 1.00 0.00 H new ATOM 246 N GLU A 16 -1.003 -2.541 -8.794 1.00 0.00 N ATOM 247 CA GLU A 16 -0.901 -2.725 -10.240 1.00 0.00 C ATOM 248 C GLU A 16 -0.185 -1.555 -10.902 1.00 0.00 C ATOM 249 O GLU A 16 0.503 -1.728 -11.906 1.00 0.00 O ATOM 250 CB GLU A 16 -2.293 -2.909 -10.855 1.00 0.00 C ATOM 251 CG GLU A 16 -3.150 -1.652 -10.824 1.00 0.00 C ATOM 252 CD GLU A 16 -3.472 -1.130 -12.211 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.035 -1.898 -13.019 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.160 0.048 -12.489 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.957 -2.418 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.311 -3.624 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.183 -3.237 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.813 -3.705 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.079 -1.863 -10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.631 -0.877 -10.260 1.00 0.00 H new ATOM 261 N LYS A 17 -0.351 -0.369 -10.336 1.00 0.00 N ATOM 262 CA LYS A 17 0.284 0.825 -10.874 1.00 0.00 C ATOM 263 C LYS A 17 1.795 0.778 -10.649 1.00 0.00 C ATOM 264 O LYS A 17 2.567 1.332 -11.430 1.00 0.00 O ATOM 265 CB LYS A 17 -0.326 2.093 -10.254 1.00 0.00 C ATOM 266 CG LYS A 17 0.194 2.432 -8.863 1.00 0.00 C ATOM 267 CD LYS A 17 0.794 3.828 -8.816 1.00 0.00 C ATOM 268 CE LYS A 17 1.980 3.958 -9.758 1.00 0.00 C ATOM 269 NZ LYS A 17 2.134 5.347 -10.270 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.920 -0.208 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 17 0.102 0.856 -11.948 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.130 2.936 -10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.408 1.973 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.620 2.361 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.947 1.701 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.033 4.561 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.110 4.055 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.891 3.660 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.854 3.274 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.954 5.393 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.276 5.623 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.281 5.997 -9.472 1.00 0.00 H new ATOM 283 N VAL A 18 2.204 0.119 -9.567 1.00 0.00 N ATOM 284 CA VAL A 18 3.621 0.009 -9.227 1.00 0.00 C ATOM 285 C VAL A 18 4.376 -0.861 -10.229 1.00 0.00 C ATOM 286 O VAL A 18 5.458 -0.496 -10.690 1.00 0.00 O ATOM 287 CB VAL A 18 3.813 -0.576 -7.816 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.273 -0.491 -7.395 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.920 0.141 -6.814 1.00 0.00 C ATOM 0 H VAL A 18 1.576 -0.346 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 18 4.026 1.020 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 18 3.526 -1.627 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.388 -0.909 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.888 -1.054 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.590 0.552 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.070 -0.286 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.173 1.201 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.877 0.023 -7.106 1.00 0.00 H new ATOM 299 N LYS A 19 3.802 -2.010 -10.562 1.00 0.00 N ATOM 300 CA LYS A 19 4.423 -2.930 -11.508 1.00 0.00 C ATOM 301 C LYS A 19 4.396 -2.362 -12.925 1.00 0.00 C ATOM 302 O LYS A 19 5.194 -2.752 -13.777 1.00 0.00 O ATOM 303 CB LYS A 19 3.713 -4.285 -11.477 1.00 0.00 C ATOM 304 CG LYS A 19 2.273 -4.229 -11.966 1.00 0.00 C ATOM 305 CD LYS A 19 1.966 -5.362 -12.932 1.00 0.00 C ATOM 306 CE LYS A 19 0.479 -5.678 -12.965 1.00 0.00 C ATOM 307 NZ LYS A 19 0.031 -6.376 -11.729 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.907 -2.328 -10.191 1.00 0.00 H new ATOM 0 HA LYS A 19 5.463 -3.064 -11.211 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.270 -4.992 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.727 -4.670 -10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.596 -4.284 -11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.092 -3.273 -12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.304 -5.090 -13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.522 -6.252 -12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.086 -4.753 -13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.259 -6.300 -13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.663 -7.110 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.850 -6.817 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.407 -5.690 -11.082 1.00 0.00 H new ATOM 321 N ALA A 20 3.466 -1.446 -13.170 1.00 0.00 N ATOM 322 CA ALA A 20 3.323 -0.829 -14.481 1.00 0.00 C ATOM 323 C ALA A 20 4.280 0.347 -14.659 1.00 0.00 C ATOM 324 O ALA A 20 4.543 0.777 -15.782 1.00 0.00 O ATOM 325 CB ALA A 20 1.884 -0.378 -14.686 1.00 0.00 C ATOM 0 H ALA A 20 2.798 -1.114 -12.474 1.00 0.00 H new ATOM 0 HA ALA A 20 3.579 -1.575 -15.234 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.784 0.083 -15.669 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.220 -1.240 -14.620 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.617 0.346 -13.917 1.00 0.00 H new ATOM 331 N LEU A 21 4.800 0.868 -13.550 1.00 0.00 N ATOM 332 CA LEU A 21 5.725 1.996 -13.601 1.00 0.00 C ATOM 333 C LEU A 21 7.122 1.543 -14.029 1.00 0.00 C ATOM 334 O LEU A 21 7.936 2.354 -14.472 1.00 0.00 O ATOM 335 CB LEU A 21 5.781 2.705 -12.241 1.00 0.00 C ATOM 336 CG LEU A 21 6.778 2.127 -11.230 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.083 2.908 -11.265 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.188 2.137 -9.825 1.00 0.00 C ATOM 0 H LEU A 21 4.597 0.529 -12.610 1.00 0.00 H new ATOM 0 HA LEU A 21 5.358 2.701 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.028 3.753 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.786 2.679 -11.797 1.00 0.00 H new ATOM 0 HG LEU A 21 6.985 1.093 -11.506 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.780 2.485 -10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.516 2.848 -12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.890 3.951 -11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.912 1.723 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.949 3.161 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.280 1.534 -9.807 1.00 0.00 H new ATOM 350 N GLY A 22 7.393 0.248 -13.895 1.00 0.00 N ATOM 351 CA GLY A 22 8.691 -0.280 -14.275 1.00 0.00 C ATOM 352 C GLY A 22 8.938 -1.670 -13.722 1.00 0.00 C ATOM 353 O GLY A 22 7.998 -2.377 -13.360 1.00 0.00 O ATOM 0 H GLY A 22 6.738 -0.444 -13.531 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.764 -0.307 -15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.471 0.393 -13.919 1.00 0.00 H new ATOM 357 N GLY A 23 10.207 -2.062 -13.654 1.00 0.00 N ATOM 358 CA GLY A 23 10.550 -3.374 -13.139 1.00 0.00 C ATOM 359 C GLY A 23 12.035 -3.665 -13.235 1.00 0.00 C ATOM 360 O GLY A 23 12.470 -4.430 -14.097 1.00 0.00 O ATOM 0 H GLY A 23 11.003 -1.494 -13.946 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.235 -3.446 -12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.998 -4.134 -13.692 1.00 0.00 H new ATOM 364 N GLY A 24 12.817 -3.056 -12.349 1.00 0.00 N ATOM 365 CA GLY A 24 14.252 -3.270 -12.359 1.00 0.00 C ATOM 366 C GLY A 24 14.942 -2.671 -11.148 1.00 0.00 C ATOM 367 O GLY A 24 15.580 -1.623 -11.245 1.00 0.00 O ATOM 0 H GLY A 24 12.483 -2.419 -11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.455 -4.340 -12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.674 -2.834 -13.265 1.00 0.00 H new ATOM 371 N GLY A 25 14.821 -3.342 -10.007 1.00 0.00 N ATOM 372 CA GLY A 25 15.451 -2.857 -8.793 1.00 0.00 C ATOM 373 C GLY A 25 14.546 -1.950 -7.982 1.00 0.00 C ATOM 374 O GLY A 25 13.745 -2.421 -7.175 1.00 0.00 O ATOM 0 H GLY A 25 14.299 -4.212 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.749 -3.707 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.361 -2.316 -9.053 1.00 0.00 H new ATOM 378 N ARG A 26 14.677 -0.643 -8.193 1.00 0.00 N ATOM 379 CA ARG A 26 13.869 0.335 -7.471 1.00 0.00 C ATOM 380 C ARG A 26 12.380 0.033 -7.613 1.00 0.00 C ATOM 381 O ARG A 26 11.617 0.182 -6.662 1.00 0.00 O ATOM 382 CB ARG A 26 14.162 1.748 -7.982 1.00 0.00 C ATOM 383 CG ARG A 26 13.941 1.914 -9.477 1.00 0.00 C ATOM 384 CD ARG A 26 13.915 3.380 -9.878 1.00 0.00 C ATOM 385 NE ARG A 26 15.139 4.075 -9.484 1.00 0.00 N ATOM 386 CZ ARG A 26 15.557 5.212 -10.034 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.856 5.789 -11.002 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.682 5.775 -9.614 1.00 0.00 N ATOM 0 H ARG A 26 15.335 -0.237 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 26 14.133 0.272 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.528 2.457 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.195 2.004 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.733 1.401 -10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.001 1.441 -9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.784 3.459 -10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.056 3.867 -9.416 1.00 0.00 H new ATOM 0 HE ARG A 26 15.707 3.664 -8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.990 5.361 -11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.183 6.661 -11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.225 5.336 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.004 6.647 -10.035 1.00 0.00 H new ATOM 402 N ILE A 27 11.976 -0.382 -8.807 1.00 0.00 N ATOM 403 CA ILE A 27 10.577 -0.703 -9.077 1.00 0.00 C ATOM 404 C ILE A 27 10.119 -1.948 -8.316 1.00 0.00 C ATOM 405 O ILE A 27 9.027 -1.975 -7.748 1.00 0.00 O ATOM 406 CB ILE A 27 10.315 -0.932 -10.583 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.165 0.008 -11.447 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.836 -0.746 -10.891 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.963 1.474 -11.134 1.00 0.00 C ATOM 0 H ILE A 27 12.597 -0.505 -9.606 1.00 0.00 H new ATOM 0 HA ILE A 27 10.007 0.162 -8.737 1.00 0.00 H new ATOM 0 HB ILE A 27 10.602 -1.955 -10.825 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.217 -0.241 -11.311 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.929 -0.166 -12.497 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.662 -0.910 -11.955 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.251 -1.462 -10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.534 0.267 -10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.597 2.076 -11.785 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.919 1.740 -11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.227 1.664 -10.094 1.00 0.00 H new ATOM 421 N GLU A 28 10.950 -2.989 -8.339 1.00 0.00 N ATOM 422 CA GLU A 28 10.624 -4.257 -7.684 1.00 0.00 C ATOM 423 C GLU A 28 10.619 -4.147 -6.161 1.00 0.00 C ATOM 424 O GLU A 28 9.701 -4.627 -5.504 1.00 0.00 O ATOM 425 CB GLU A 28 11.617 -5.337 -8.117 1.00 0.00 C ATOM 426 CG GLU A 28 11.645 -5.569 -9.619 1.00 0.00 C ATOM 427 CD GLU A 28 11.646 -7.041 -9.982 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.856 -7.801 -9.382 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 12.437 -7.434 -10.865 1.00 0.00 O ATOM 0 H GLU A 28 11.857 -2.980 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 28 9.615 -4.527 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.616 -5.056 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.365 -6.272 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.779 -5.087 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.531 -5.094 -10.040 1.00 0.00 H new ATOM 436 N GLU A 29 11.651 -3.532 -5.603 1.00 0.00 N ATOM 437 CA GLU A 29 11.760 -3.381 -4.153 1.00 0.00 C ATOM 438 C GLU A 29 10.564 -2.627 -3.575 1.00 0.00 C ATOM 439 O GLU A 29 10.086 -2.936 -2.483 1.00 0.00 O ATOM 440 CB GLU A 29 13.056 -2.652 -3.795 1.00 0.00 C ATOM 441 CG GLU A 29 13.106 -1.218 -4.297 1.00 0.00 C ATOM 442 CD GLU A 29 14.340 -0.476 -3.820 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.349 -0.027 -2.654 1.00 0.00 O ATOM 444 OE2 GLU A 29 15.296 -0.343 -4.612 1.00 0.00 O1- ATOM 0 H GLU A 29 12.426 -3.128 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 29 11.772 -4.380 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.176 -2.653 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.900 -3.203 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.085 -1.217 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.215 -0.688 -3.961 1.00 0.00 H new ATOM 451 N LEU A 30 10.108 -1.621 -4.306 1.00 0.00 N ATOM 452 CA LEU A 30 8.995 -0.783 -3.884 1.00 0.00 C ATOM 453 C LEU A 30 7.712 -1.583 -3.648 1.00 0.00 C ATOM 454 O LEU A 30 7.028 -1.388 -2.643 1.00 0.00 O ATOM 455 CB LEU A 30 8.755 0.284 -4.950 1.00 0.00 C ATOM 456 CG LEU A 30 8.576 1.709 -4.427 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.887 2.236 -3.864 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.070 2.616 -5.538 1.00 0.00 C ATOM 0 H LEU A 30 10.500 -1.362 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 30 9.259 -0.326 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.595 0.274 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.867 0.010 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 30 7.838 1.697 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.743 3.252 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.215 1.596 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.645 2.238 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.946 3.628 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.789 2.624 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.111 2.246 -5.901 1.00 0.00 H new ATOM 470 N LYS A 31 7.378 -2.467 -4.582 1.00 0.00 N ATOM 471 CA LYS A 31 6.160 -3.274 -4.469 1.00 0.00 C ATOM 472 C LYS A 31 6.223 -4.251 -3.300 1.00 0.00 C ATOM 473 O LYS A 31 5.204 -4.538 -2.678 1.00 0.00 O ATOM 474 CB LYS A 31 5.836 -4.024 -5.764 1.00 0.00 C ATOM 475 CG LYS A 31 7.047 -4.393 -6.609 1.00 0.00 C ATOM 476 CD LYS A 31 6.636 -5.125 -7.878 1.00 0.00 C ATOM 477 CE LYS A 31 5.931 -6.435 -7.564 1.00 0.00 C ATOM 478 NZ LYS A 31 4.456 -6.326 -7.732 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.927 -2.645 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 31 5.353 -2.566 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.294 -4.936 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.165 -3.410 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.599 -3.490 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.721 -5.021 -6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.977 -4.489 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.518 -5.323 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.314 -7.219 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.159 -6.734 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.998 -7.171 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.112 -5.479 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.226 -6.252 -8.744 1.00 0.00 H new ATOM 492 N LYS A 32 7.410 -4.775 -3.011 1.00 0.00 N ATOM 493 CA LYS A 32 7.570 -5.731 -1.923 1.00 0.00 C ATOM 494 C LYS A 32 7.058 -5.140 -0.615 1.00 0.00 C ATOM 495 O LYS A 32 6.403 -5.824 0.171 1.00 0.00 O ATOM 496 CB LYS A 32 9.037 -6.132 -1.784 1.00 0.00 C ATOM 497 CG LYS A 32 9.375 -7.429 -2.498 1.00 0.00 C ATOM 498 CD LYS A 32 9.044 -7.353 -3.981 1.00 0.00 C ATOM 499 CE LYS A 32 10.145 -7.968 -4.831 1.00 0.00 C ATOM 500 NZ LYS A 32 9.596 -8.774 -5.958 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.270 -4.555 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 32 6.984 -6.621 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.664 -5.333 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.280 -6.233 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.435 -7.649 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.822 -8.251 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.104 -7.871 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.899 -6.312 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.782 -7.177 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.775 -8.601 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.380 -9.175 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.009 -9.545 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.016 -8.165 -6.570 1.00 0.00 H new ATOM 514 N LYS A 33 7.334 -3.860 -0.400 1.00 0.00 N ATOM 515 CA LYS A 33 6.870 -3.178 0.800 1.00 0.00 C ATOM 516 C LYS A 33 5.347 -3.158 0.819 1.00 0.00 C ATOM 517 O LYS A 33 4.722 -3.270 1.873 1.00 0.00 O ATOM 518 CB LYS A 33 7.421 -1.752 0.853 1.00 0.00 C ATOM 519 CG LYS A 33 7.134 -1.037 2.165 1.00 0.00 C ATOM 520 CD LYS A 33 8.364 -0.315 2.690 1.00 0.00 C ATOM 521 CE LYS A 33 8.582 1.010 1.979 1.00 0.00 C ATOM 522 NZ LYS A 33 8.165 2.167 2.819 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.874 -3.276 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 33 7.232 -3.716 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.499 -1.782 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.993 -1.175 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.325 -0.321 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.791 -1.759 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.255 -0.140 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.242 -0.948 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.635 1.112 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.019 1.018 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.330 3.052 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.154 2.083 3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.720 2.175 3.699 1.00 0.00 H new ATOM 536 N TYR A 34 4.758 -3.019 -0.367 1.00 0.00 N ATOM 537 CA TYR A 34 3.308 -2.989 -0.510 1.00 0.00 C ATOM 538 C TYR A 34 2.674 -4.251 0.072 1.00 0.00 C ATOM 539 O TYR A 34 1.607 -4.192 0.681 1.00 0.00 O ATOM 540 CB TYR A 34 2.915 -2.826 -1.982 1.00 0.00 C ATOM 541 CG TYR A 34 2.077 -1.595 -2.238 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.713 -1.598 -1.983 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.652 -0.430 -2.726 1.00 0.00 C ATOM 544 CE1 TYR A 34 -0.056 -0.474 -2.208 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.889 0.700 -2.955 1.00 0.00 C ATOM 546 CZ TYR A 34 0.536 0.673 -2.693 1.00 0.00 C ATOM 547 OH TYR A 34 -0.226 1.797 -2.915 1.00 0.00 O ATOM 0 H TYR A 34 5.268 -2.925 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 34 2.933 -2.131 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.818 -2.776 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.362 -3.708 -2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.246 -2.494 -1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.712 -0.406 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.117 -0.493 -2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.350 1.599 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 34 0.355 2.586 -2.943 1.00 0.00 H new ATOM 557 N GLU A 35 3.335 -5.391 -0.112 1.00 0.00 N ATOM 558 CA GLU A 35 2.829 -6.659 0.405 1.00 0.00 C ATOM 559 C GLU A 35 2.598 -6.560 1.908 1.00 0.00 C ATOM 560 O GLU A 35 1.605 -7.064 2.432 1.00 0.00 O ATOM 561 CB GLU A 35 3.812 -7.791 0.099 1.00 0.00 C ATOM 562 CG GLU A 35 3.872 -8.162 -1.374 1.00 0.00 C ATOM 563 CD GLU A 35 3.337 -9.554 -1.649 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.539 -10.056 -0.829 1.00 0.00 O ATOM 565 OE2 GLU A 35 3.717 -10.143 -2.683 1.00 0.00 O1- ATOM 0 H GLU A 35 4.220 -5.463 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 35 1.880 -6.879 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.807 -7.497 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.530 -8.672 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.299 -7.436 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.904 -8.099 -1.719 1.00 0.00 H new ATOM 572 N GLU A 36 3.522 -5.892 2.590 1.00 0.00 N ATOM 573 CA GLU A 36 3.427 -5.701 4.031 1.00 0.00 C ATOM 574 C GLU A 36 2.140 -4.965 4.385 1.00 0.00 C ATOM 575 O GLU A 36 1.510 -5.247 5.402 1.00 0.00 O ATOM 576 CB GLU A 36 4.637 -4.918 4.545 1.00 0.00 C ATOM 577 CG GLU A 36 4.886 -5.091 6.034 1.00 0.00 C ATOM 578 CD GLU A 36 5.179 -3.777 6.732 1.00 0.00 C ATOM 579 OE1 GLU A 36 5.561 -2.810 6.040 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 5.028 -3.716 7.970 1.00 0.00 O ATOM 0 H GLU A 36 4.349 -5.472 2.165 1.00 0.00 H new ATOM 0 HA GLU A 36 3.414 -6.681 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.524 -5.236 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.492 -3.859 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.013 -5.556 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.724 -5.772 6.182 1.00 0.00 H new ATOM 587 N LEU A 37 1.768 -4.012 3.538 1.00 0.00 N ATOM 588 CA LEU A 37 0.567 -3.210 3.743 1.00 0.00 C ATOM 589 C LEU A 37 -0.689 -4.077 3.820 1.00 0.00 C ATOM 590 O LEU A 37 -1.540 -3.876 4.684 1.00 0.00 O ATOM 591 CB LEU A 37 0.433 -2.216 2.587 1.00 0.00 C ATOM 592 CG LEU A 37 0.475 -0.740 2.970 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.889 -0.275 3.453 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.541 -0.481 4.023 1.00 0.00 C ATOM 0 H LEU A 37 2.288 -3.774 2.693 1.00 0.00 H new ATOM 0 HA LEU A 37 0.664 -2.684 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.233 -2.409 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.508 -2.411 2.072 1.00 0.00 H new ATOM 0 HG LEU A 37 0.737 -0.165 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.840 0.780 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.623 -0.413 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.184 -0.858 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.550 0.579 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.321 -1.067 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.517 -0.768 3.631 1.00 0.00 H new ATOM 606 N LYS A 38 -0.801 -5.028 2.904 1.00 0.00 N ATOM 607 CA LYS A 38 -1.959 -5.918 2.853 1.00 0.00 C ATOM 608 C LYS A 38 -2.121 -6.712 4.149 1.00 0.00 C ATOM 609 O LYS A 38 -3.236 -6.928 4.616 1.00 0.00 O ATOM 610 CB LYS A 38 -1.834 -6.878 1.668 1.00 0.00 C ATOM 611 CG LYS A 38 -1.512 -6.183 0.355 1.00 0.00 C ATOM 612 CD LYS A 38 -2.716 -6.150 -0.573 1.00 0.00 C ATOM 613 CE LYS A 38 -3.416 -4.801 -0.530 1.00 0.00 C ATOM 614 NZ LYS A 38 -4.083 -4.561 0.779 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.103 -5.206 2.182 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.846 -5.297 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.055 -7.609 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.767 -7.430 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.178 -5.165 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.687 -6.698 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.396 -6.363 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.417 -6.934 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.690 -4.010 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.156 -4.751 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.037 -4.180 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.152 -5.457 1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.527 -3.878 1.332 1.00 0.00 H new ATOM 628 N LYS A 39 -1.003 -7.162 4.707 1.00 0.00 N ATOM 629 CA LYS A 39 -1.013 -7.953 5.935 1.00 0.00 C ATOM 630 C LYS A 39 -1.566 -7.172 7.130 1.00 0.00 C ATOM 631 O LYS A 39 -2.247 -7.738 7.983 1.00 0.00 O ATOM 632 CB LYS A 39 0.402 -8.444 6.251 1.00 0.00 C ATOM 633 CG LYS A 39 0.627 -9.911 5.913 1.00 0.00 C ATOM 634 CD LYS A 39 1.841 -10.100 5.017 1.00 0.00 C ATOM 635 CE LYS A 39 1.448 -10.150 3.549 1.00 0.00 C ATOM 636 NZ LYS A 39 1.350 -11.548 3.048 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.072 -6.992 4.327 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.675 -8.802 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.120 -7.838 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.603 -8.289 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.761 -10.480 6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.258 -10.310 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.545 -9.283 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.355 -11.022 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.491 -9.647 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.182 -9.603 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.080 -11.539 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.270 -12.020 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.631 -12.063 3.595 1.00 0.00 H new ATOM 650 N LYS A 40 -1.249 -5.884 7.201 1.00 0.00 N ATOM 651 CA LYS A 40 -1.693 -5.039 8.311 1.00 0.00 C ATOM 652 C LYS A 40 -3.213 -4.875 8.337 1.00 0.00 C ATOM 653 O LYS A 40 -3.840 -4.987 9.390 1.00 0.00 O ATOM 654 CB LYS A 40 -1.025 -3.665 8.222 1.00 0.00 C ATOM 655 CG LYS A 40 -0.503 -3.155 9.556 1.00 0.00 C ATOM 656 CD LYS A 40 0.409 -1.952 9.375 1.00 0.00 C ATOM 657 CE LYS A 40 1.718 -2.339 8.706 1.00 0.00 C ATOM 658 NZ LYS A 40 2.854 -2.346 9.668 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.685 -5.399 6.503 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.399 -5.534 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.198 -3.717 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.741 -2.947 7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.342 -2.883 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.041 -3.952 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.098 -1.197 8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.615 -1.501 10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.617 -3.327 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.932 -1.641 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.683 -2.790 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.087 -1.369 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.587 -2.884 10.517 1.00 0.00 H new ATOM 672 N ILE A 41 -3.796 -4.604 7.177 1.00 0.00 N ATOM 673 CA ILE A 41 -5.239 -4.417 7.067 1.00 0.00 C ATOM 674 C ILE A 41 -5.979 -5.678 7.489 1.00 0.00 C ATOM 675 O ILE A 41 -7.055 -5.614 8.084 1.00 0.00 O ATOM 676 CB ILE A 41 -5.647 -4.041 5.629 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.854 -2.823 5.152 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.142 -3.767 5.549 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.618 -2.803 3.658 1.00 0.00 C ATOM 0 H ILE A 41 -3.291 -4.508 6.296 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.512 -3.599 7.733 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.418 -4.883 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.387 -1.917 5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.892 -2.803 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.409 -3.503 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.692 -4.659 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.397 -2.942 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.050 -1.912 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.058 -3.691 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.576 -2.792 3.138 1.00 0.00 H new ATOM 691 N GLU A 42 -5.385 -6.823 7.183 1.00 0.00 N ATOM 692 CA GLU A 42 -5.964 -8.108 7.535 1.00 0.00 C ATOM 693 C GLU A 42 -6.013 -8.265 9.049 1.00 0.00 C ATOM 694 O GLU A 42 -6.926 -8.886 9.593 1.00 0.00 O ATOM 695 CB GLU A 42 -5.149 -9.245 6.911 1.00 0.00 C ATOM 696 CG GLU A 42 -5.891 -9.993 5.814 1.00 0.00 C ATOM 697 CD GLU A 42 -5.682 -11.492 5.888 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.621 -11.968 5.435 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -6.582 -12.192 6.400 1.00 0.00 O ATOM 0 H GLU A 42 -4.495 -6.886 6.688 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.981 -8.152 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.226 -8.836 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.866 -9.950 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.956 -9.774 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.557 -9.631 4.842 1.00 0.00 H new ATOM 706 N GLU A 43 -5.019 -7.695 9.722 1.00 0.00 N ATOM 707 CA GLU A 43 -4.938 -7.769 11.176 1.00 0.00 C ATOM 708 C GLU A 43 -5.952 -6.835 11.830 1.00 0.00 C ATOM 709 O GLU A 43 -6.423 -7.092 12.937 1.00 0.00 O ATOM 710 CB GLU A 43 -3.525 -7.416 11.648 1.00 0.00 C ATOM 711 CG GLU A 43 -2.535 -8.560 11.513 1.00 0.00 C ATOM 712 CD GLU A 43 -1.306 -8.372 12.381 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.375 -7.580 13.346 1.00 0.00 O ATOM 714 OE2 GLU A 43 -0.274 -9.015 12.097 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.258 -7.176 9.283 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.170 -8.791 11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.162 -6.563 11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.567 -7.104 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.026 -9.495 11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.229 -8.650 10.471 1.00 0.00 H new ATOM 721 N LEU A 44 -6.283 -5.749 11.137 1.00 0.00 N ATOM 722 CA LEU A 44 -7.241 -4.777 11.651 1.00 0.00 C ATOM 723 C LEU A 44 -8.583 -5.439 11.952 1.00 0.00 C ATOM 724 O LEU A 44 -9.047 -6.294 11.196 1.00 0.00 O ATOM 725 CB LEU A 44 -7.430 -3.637 10.646 1.00 0.00 C ATOM 726 CG LEU A 44 -6.934 -2.270 11.117 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.873 -1.291 9.952 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.829 -1.731 12.227 1.00 0.00 C ATOM 0 H LEU A 44 -5.902 -5.521 10.219 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.845 -4.369 12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.911 -3.897 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.490 -3.558 10.404 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.926 -2.388 11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.518 -0.324 10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.190 -1.671 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.868 -1.176 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.461 -0.757 12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.848 -1.629 11.855 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.818 -2.421 13.071 1.00 0.00 H new ATOM 740 N GLY A 45 -9.201 -5.038 13.057 1.00 0.00 N ATOM 741 CA GLY A 45 -10.483 -5.602 13.437 1.00 0.00 C ATOM 742 C GLY A 45 -11.651 -4.850 12.828 1.00 0.00 C ATOM 743 O GLY A 45 -12.129 -5.203 11.750 1.00 0.00 O ATOM 0 H GLY A 45 -8.837 -4.332 13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.524 -6.646 13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.574 -5.590 14.523 1.00 0.00 H new ATOM 747 N GLY A 46 -12.110 -3.813 13.519 1.00 0.00 N ATOM 748 CA GLY A 46 -13.224 -3.026 13.023 1.00 0.00 C ATOM 749 C GLY A 46 -13.118 -1.563 13.403 1.00 0.00 C ATOM 750 O GLY A 46 -13.499 -1.172 14.506 1.00 0.00 O ATOM 0 H GLY A 46 -11.731 -3.503 14.414 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.271 -3.113 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.155 -3.433 13.416 1.00 0.00 H new ATOM 754 N GLY A 47 -12.598 -0.752 12.488 1.00 0.00 N ATOM 755 CA GLY A 47 -12.452 0.667 12.752 1.00 0.00 C ATOM 756 C GLY A 47 -11.471 0.951 13.871 1.00 0.00 C ATOM 757 O GLY A 47 -11.565 0.367 14.952 1.00 0.00 O ATOM 0 H GLY A 47 -12.275 -1.052 11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.118 1.170 11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.424 1.087 13.010 1.00 0.00 H new ATOM 761 N GLY A 48 -10.524 1.848 13.614 1.00 0.00 N ATOM 762 CA GLY A 48 -9.536 2.191 14.618 1.00 0.00 C ATOM 763 C GLY A 48 -8.193 2.547 14.011 1.00 0.00 C ATOM 764 O GLY A 48 -7.665 3.633 14.248 1.00 0.00 O ATOM 0 H GLY A 48 -10.424 2.343 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.899 3.032 15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.411 1.352 15.302 1.00 0.00 H new ATOM 768 N GLU A 49 -7.640 1.627 13.228 1.00 0.00 N ATOM 769 CA GLU A 49 -6.349 1.847 12.583 1.00 0.00 C ATOM 770 C GLU A 49 -6.494 1.954 11.066 1.00 0.00 C ATOM 771 O GLU A 49 -5.513 2.184 10.358 1.00 0.00 O ATOM 772 CB GLU A 49 -5.385 0.711 12.933 1.00 0.00 C ATOM 773 CG GLU A 49 -3.987 0.906 12.370 1.00 0.00 C ATOM 774 CD GLU A 49 -2.996 -0.110 12.905 1.00 0.00 C ATOM 775 OE1 GLU A 49 -2.540 0.054 14.056 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.676 -1.069 12.171 1.00 0.00 O ATOM 0 H GLU A 49 -8.065 0.722 13.024 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.948 2.791 12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.322 0.620 14.017 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.791 -0.228 12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.024 0.835 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.639 1.910 12.612 1.00 0.00 H new ATOM 783 N VAL A 50 -7.717 1.787 10.567 1.00 0.00 N ATOM 784 CA VAL A 50 -7.975 1.866 9.133 1.00 0.00 C ATOM 785 C VAL A 50 -7.454 3.176 8.550 1.00 0.00 C ATOM 786 O VAL A 50 -6.946 3.209 7.429 1.00 0.00 O ATOM 787 CB VAL A 50 -9.478 1.741 8.821 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.959 0.319 9.068 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.282 2.734 9.647 1.00 0.00 C ATOM 0 H VAL A 50 -8.543 1.596 11.134 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.447 1.031 8.673 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.630 1.974 7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.023 0.250 8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.407 -0.368 8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.792 0.055 10.112 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.341 2.630 9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.125 2.537 10.707 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.957 3.748 9.414 1.00 0.00 H new ATOM 799 N LYS A 51 -7.579 4.253 9.319 1.00 0.00 N ATOM 800 CA LYS A 51 -7.115 5.564 8.879 1.00 0.00 C ATOM 801 C LYS A 51 -5.592 5.599 8.809 1.00 0.00 C ATOM 802 O LYS A 51 -5.014 6.236 7.930 1.00 0.00 O ATOM 803 CB LYS A 51 -7.621 6.652 9.826 1.00 0.00 C ATOM 804 CG LYS A 51 -9.072 7.035 9.592 1.00 0.00 C ATOM 805 CD LYS A 51 -10.009 6.231 10.477 1.00 0.00 C ATOM 806 CE LYS A 51 -9.929 6.681 11.927 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.261 6.659 12.592 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.997 4.244 10.249 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.513 5.751 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.506 6.309 10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.997 7.539 9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.205 8.098 9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.328 6.871 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.032 6.339 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.757 5.173 10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.242 6.033 12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.518 7.690 11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.162 6.973 13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.910 7.297 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.643 5.692 12.573 1.00 0.00 H new ATOM 821 N LYS A 52 -4.951 4.906 9.745 1.00 0.00 N ATOM 822 CA LYS A 52 -3.495 4.850 9.796 1.00 0.00 C ATOM 823 C LYS A 52 -2.938 4.078 8.605 1.00 0.00 C ATOM 824 O LYS A 52 -1.860 4.388 8.103 1.00 0.00 O ATOM 825 CB LYS A 52 -3.037 4.195 11.102 1.00 0.00 C ATOM 826 CG LYS A 52 -2.949 5.164 12.269 1.00 0.00 C ATOM 827 CD LYS A 52 -1.505 5.448 12.653 1.00 0.00 C ATOM 828 CE LYS A 52 -0.769 6.193 11.550 1.00 0.00 C ATOM 829 NZ LYS A 52 0.194 5.313 10.832 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.418 4.375 10.480 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.114 5.870 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.728 3.392 11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.060 3.737 10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.446 6.097 12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.480 4.751 13.127 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.481 6.037 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.992 4.509 12.864 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.491 6.596 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.235 7.041 11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.900 5.898 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.674 4.693 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.318 4.732 10.137 1.00 0.00 H new ATOM 843 N VAL A 53 -3.680 3.068 8.165 1.00 0.00 N ATOM 844 CA VAL A 53 -3.267 2.240 7.036 1.00 0.00 C ATOM 845 C VAL A 53 -3.243 3.039 5.735 1.00 0.00 C ATOM 846 O VAL A 53 -2.369 2.845 4.895 1.00 0.00 O ATOM 847 CB VAL A 53 -4.201 1.025 6.862 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.707 0.116 5.744 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.326 0.257 8.169 1.00 0.00 C ATOM 0 H VAL A 53 -4.575 2.801 8.575 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.259 1.890 7.257 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.189 1.391 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.382 -0.734 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.679 0.673 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.706 -0.243 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.989 -0.597 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.342 -0.095 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.737 0.912 8.938 1.00 0.00 H new ATOM 859 N GLU A 54 -4.217 3.923 5.562 1.00 0.00 N ATOM 860 CA GLU A 54 -4.302 4.734 4.352 1.00 0.00 C ATOM 861 C GLU A 54 -3.128 5.709 4.248 1.00 0.00 C ATOM 862 O GLU A 54 -2.677 6.033 3.152 1.00 0.00 O ATOM 863 CB GLU A 54 -5.623 5.505 4.324 1.00 0.00 C ATOM 864 CG GLU A 54 -6.833 4.628 4.048 1.00 0.00 C ATOM 865 CD GLU A 54 -8.089 5.434 3.781 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.487 6.223 4.663 1.00 0.00 O ATOM 867 OE2 GLU A 54 -8.675 5.276 2.690 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.958 4.097 6.241 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.259 4.060 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.760 6.009 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.565 6.281 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.626 3.990 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.002 3.970 4.901 1.00 0.00 H new ATOM 874 N GLU A 55 -2.654 6.188 5.394 1.00 0.00 N ATOM 875 CA GLU A 55 -1.546 7.140 5.433 1.00 0.00 C ATOM 876 C GLU A 55 -0.212 6.501 5.037 1.00 0.00 C ATOM 877 O GLU A 55 0.627 7.141 4.407 1.00 0.00 O ATOM 878 CB GLU A 55 -1.428 7.751 6.831 1.00 0.00 C ATOM 879 CG GLU A 55 -0.890 9.173 6.830 1.00 0.00 C ATOM 880 CD GLU A 55 0.216 9.380 7.848 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.320 8.562 8.786 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.977 10.360 7.707 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.020 5.932 6.311 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.767 7.918 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.409 7.743 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.775 7.125 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.513 9.414 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.705 9.866 7.039 1.00 0.00 H new ATOM 889 N GLU A 56 -0.009 5.250 5.435 1.00 0.00 N ATOM 890 CA GLU A 56 1.239 4.545 5.146 1.00 0.00 C ATOM 891 C GLU A 56 1.396 4.228 3.658 1.00 0.00 C ATOM 892 O GLU A 56 2.489 4.357 3.104 1.00 0.00 O ATOM 893 CB GLU A 56 1.318 3.256 5.968 1.00 0.00 C ATOM 894 CG GLU A 56 0.107 2.355 5.814 1.00 0.00 C ATOM 895 CD GLU A 56 0.308 0.992 6.449 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.354 0.789 7.104 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 -0.579 0.127 6.293 1.00 0.00 O ATOM 0 H GLU A 56 -0.691 4.701 5.959 1.00 0.00 H new ATOM 0 HA GLU A 56 2.057 5.209 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.210 2.703 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.435 3.514 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.760 2.838 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.115 2.229 4.754 1.00 0.00 H new ATOM 904 N VAL A 57 0.313 3.806 3.016 1.00 0.00 N ATOM 905 CA VAL A 57 0.354 3.464 1.597 1.00 0.00 C ATOM 906 C VAL A 57 0.592 4.698 0.727 1.00 0.00 C ATOM 907 O VAL A 57 1.278 4.627 -0.291 1.00 0.00 O ATOM 908 CB VAL A 57 -0.940 2.751 1.145 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.093 3.735 1.002 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.703 2.000 -0.158 1.00 0.00 C ATOM 0 H VAL A 57 -0.602 3.692 3.452 1.00 0.00 H new ATOM 0 HA VAL A 57 1.192 2.779 1.467 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.216 2.031 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.989 3.202 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.280 4.218 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.836 4.491 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.623 1.503 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.396 2.703 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.080 1.256 -0.012 1.00 0.00 H new ATOM 920 N LYS A 58 0.025 5.828 1.138 1.00 0.00 N ATOM 921 CA LYS A 58 0.182 7.076 0.398 1.00 0.00 C ATOM 922 C LYS A 58 1.661 7.414 0.217 1.00 0.00 C ATOM 923 O LYS A 58 2.057 7.993 -0.790 1.00 0.00 O ATOM 924 CB LYS A 58 -0.559 8.223 1.100 1.00 0.00 C ATOM 925 CG LYS A 58 0.177 8.804 2.297 1.00 0.00 C ATOM 926 CD LYS A 58 0.671 10.215 2.019 1.00 0.00 C ATOM 927 CE LYS A 58 0.633 11.075 3.270 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.595 11.916 3.330 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.547 5.905 1.979 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.259 6.944 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.739 9.019 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.534 7.863 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.485 8.814 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.023 8.165 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.690 10.176 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.055 10.671 1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.678 10.435 4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.514 11.717 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.582 12.488 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.626 12.545 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.436 11.304 3.331 1.00 0.00 H new ATOM 942 N LYS A 59 2.468 7.051 1.206 1.00 0.00 N ATOM 943 CA LYS A 59 3.904 7.312 1.159 1.00 0.00 C ATOM 944 C LYS A 59 4.580 6.465 0.080 1.00 0.00 C ATOM 945 O LYS A 59 5.510 6.918 -0.584 1.00 0.00 O ATOM 946 CB LYS A 59 4.556 7.026 2.518 1.00 0.00 C ATOM 947 CG LYS A 59 3.669 7.327 3.720 1.00 0.00 C ATOM 948 CD LYS A 59 3.121 8.744 3.674 1.00 0.00 C ATOM 949 CE LYS A 59 4.052 9.727 4.365 1.00 0.00 C ATOM 950 NZ LYS A 59 4.082 9.521 5.839 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.154 6.575 2.051 1.00 0.00 H new ATOM 0 HA LYS A 59 4.037 8.366 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.849 5.977 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.469 7.615 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.842 6.618 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.240 7.187 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.978 9.046 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.142 8.772 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.059 9.617 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.731 10.746 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.419 10.388 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.125 9.297 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.723 8.734 6.067 1.00 0.00 H new ATOM 964 N LEU A 60 4.119 5.224 -0.069 1.00 0.00 N ATOM 965 CA LEU A 60 4.690 4.296 -1.045 1.00 0.00 C ATOM 966 C LEU A 60 4.596 4.827 -2.474 1.00 0.00 C ATOM 967 O LEU A 60 5.563 4.752 -3.233 1.00 0.00 O ATOM 968 CB LEU A 60 3.982 2.942 -0.953 1.00 0.00 C ATOM 969 CG LEU A 60 4.865 1.724 -1.231 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.618 1.896 -2.542 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.834 1.489 -0.081 1.00 0.00 C ATOM 0 H LEU A 60 3.349 4.837 0.476 1.00 0.00 H new ATOM 0 HA LEU A 60 5.747 4.183 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.555 2.841 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.151 2.936 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 60 4.222 0.848 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.240 1.019 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.905 2.009 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.249 2.783 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.453 0.618 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.471 2.365 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.273 1.315 0.837 1.00 0.00 H new ATOM 983 N GLU A 61 3.434 5.355 -2.843 1.00 0.00 N ATOM 984 CA GLU A 61 3.239 5.885 -4.191 1.00 0.00 C ATOM 985 C GLU A 61 4.071 7.145 -4.407 1.00 0.00 C ATOM 986 O GLU A 61 4.554 7.400 -5.509 1.00 0.00 O ATOM 987 CB GLU A 61 1.758 6.175 -4.455 1.00 0.00 C ATOM 988 CG GLU A 61 1.078 6.962 -3.349 1.00 0.00 C ATOM 989 CD GLU A 61 0.746 8.382 -3.761 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.630 9.060 -4.326 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 -0.400 8.818 -3.520 1.00 0.00 O ATOM 0 H GLU A 61 2.618 5.428 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 61 3.574 5.126 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.667 6.728 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.232 5.230 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.162 6.450 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.726 6.984 -2.473 1.00 0.00 H new ATOM 998 N GLU A 62 4.238 7.926 -3.345 1.00 0.00 N ATOM 999 CA GLU A 62 5.016 9.158 -3.414 1.00 0.00 C ATOM 1000 C GLU A 62 6.427 8.872 -3.914 1.00 0.00 C ATOM 1001 O GLU A 62 6.992 9.645 -4.687 1.00 0.00 O ATOM 1002 CB GLU A 62 5.073 9.828 -2.040 1.00 0.00 C ATOM 1003 CG GLU A 62 3.902 10.757 -1.768 1.00 0.00 C ATOM 1004 CD GLU A 62 4.212 12.202 -2.106 1.00 0.00 C ATOM 1005 OE1 GLU A 62 5.326 12.663 -1.778 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.341 12.873 -2.699 1.00 0.00 O ATOM 0 H GLU A 62 3.845 7.728 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 62 4.527 9.834 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.101 9.057 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.001 10.394 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.040 10.429 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.623 10.686 -0.717 1.00 0.00 H new ATOM 1013 N GLU A 63 6.984 7.749 -3.475 1.00 0.00 N ATOM 1014 CA GLU A 63 8.322 7.350 -3.886 1.00 0.00 C ATOM 1015 C GLU A 63 8.336 7.016 -5.370 1.00 0.00 C ATOM 1016 O GLU A 63 9.331 7.237 -6.060 1.00 0.00 O ATOM 1017 CB GLU A 63 8.796 6.142 -3.074 1.00 0.00 C ATOM 1018 CG GLU A 63 8.582 6.290 -1.577 1.00 0.00 C ATOM 1019 CD GLU A 63 9.361 7.451 -0.988 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.557 7.268 -0.681 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 8.773 8.542 -0.835 1.00 0.00 O ATOM 0 H GLU A 63 6.528 7.099 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 63 9.002 8.182 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.270 5.253 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.857 5.980 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.520 6.432 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.879 5.368 -1.078 1.00 0.00 H new ATOM 1028 N ILE A 64 7.218 6.483 -5.855 1.00 0.00 N ATOM 1029 CA ILE A 64 7.093 6.118 -7.263 1.00 0.00 C ATOM 1030 C ILE A 64 7.321 7.331 -8.163 1.00 0.00 C ATOM 1031 O ILE A 64 7.950 7.224 -9.215 1.00 0.00 O ATOM 1032 CB ILE A 64 5.706 5.516 -7.569 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.430 4.323 -6.652 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.614 5.096 -9.029 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.063 3.707 -6.855 1.00 0.00 C ATOM 0 H ILE A 64 6.387 6.294 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 64 7.856 5.367 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 64 4.951 6.280 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.191 3.561 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.525 4.643 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.628 4.674 -9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.770 5.965 -9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.378 4.348 -9.241 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.937 2.867 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.294 4.454 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.971 3.355 -7.883 1.00 0.00 H new ATOM 1047 N LYS A 65 6.808 8.480 -7.740 1.00 0.00 N ATOM 1048 CA LYS A 65 6.958 9.712 -8.506 1.00 0.00 C ATOM 1049 C LYS A 65 8.394 10.219 -8.440 1.00 0.00 C ATOM 1050 O LYS A 65 8.885 10.850 -9.376 1.00 0.00 O ATOM 1051 CB LYS A 65 6.002 10.786 -7.980 1.00 0.00 C ATOM 1052 CG LYS A 65 4.581 10.286 -7.770 1.00 0.00 C ATOM 1053 CD LYS A 65 4.012 10.749 -6.436 1.00 0.00 C ATOM 1054 CE LYS A 65 2.901 11.771 -6.623 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.571 11.219 -6.247 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.284 8.585 -6.871 1.00 0.00 H new ATOM 0 HA LYS A 65 6.713 9.496 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.386 11.171 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.985 11.620 -8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.946 10.644 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.569 9.197 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.627 9.890 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.808 11.183 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.113 12.652 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.878 12.097 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.974 11.981 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.115 10.809 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.693 10.481 -5.525 1.00 0.00 H new ATOM 1069 N LYS A 66 9.064 9.938 -7.326 1.00 0.00 N ATOM 1070 CA LYS A 66 10.444 10.362 -7.134 1.00 0.00 C ATOM 1071 C LYS A 66 11.377 9.656 -8.113 1.00 0.00 C ATOM 1072 O LYS A 66 12.443 10.172 -8.449 1.00 0.00 O ATOM 1073 CB LYS A 66 10.889 10.084 -5.697 1.00 0.00 C ATOM 1074 CG LYS A 66 10.360 11.094 -4.689 1.00 0.00 C ATOM 1075 CD LYS A 66 11.486 11.891 -4.051 1.00 0.00 C ATOM 1076 CE LYS A 66 11.925 13.047 -4.938 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.405 14.352 -4.445 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.671 9.417 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 66 10.496 11.434 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.556 9.087 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.978 10.080 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.667 11.774 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.797 10.574 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.158 12.276 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.335 11.235 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.014 13.081 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.574 12.877 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.726 15.114 -5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.365 14.329 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.760 14.526 -3.483 1.00 0.00 H new ATOM 1091 N LEU A 67 10.973 8.472 -8.565 1.00 0.00 N ATOM 1092 CA LEU A 67 11.780 7.699 -9.502 1.00 0.00 C ATOM 1093 C LEU A 67 11.287 7.892 -10.935 1.00 0.00 C ATOM 1094 O LEU A 67 12.077 7.648 -11.870 1.00 0.00 O ATOM 1095 CB LEU A 67 11.761 6.213 -9.123 1.00 0.00 C ATOM 1096 CG LEU A 67 10.586 5.401 -9.677 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.954 4.771 -11.011 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.160 4.333 -8.681 1.00 0.00 C ATOM 1099 OXT LEU A 67 10.113 8.283 -11.107 1.00 0.00 O ATOM 0 H LEU A 67 10.094 8.029 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 67 12.807 8.060 -9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.689 5.757 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.753 6.134 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 67 9.746 6.077 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.107 4.198 -11.389 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.210 5.554 -11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.809 4.108 -10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.324 3.766 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.996 3.660 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.854 4.807 -7.748 1.00 0.00 H new