USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 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+ 155:sc= 0 (180deg=-0.306) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0199) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= -1.78 (180deg=-3.65!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (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 148:sc= -10! USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -1.18 (180deg=-1.91!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc=-0.00109 (180deg=-0.109) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= -0.105 (180deg=-0.105) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0578) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= -0.185 (180deg=-0.833) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.983 -3.837 6.982 1.00 0.00 N ATOM 11 CA SER A 2 -17.337 -3.182 5.727 1.00 0.00 C ATOM 12 C SER A 2 -16.495 -1.927 5.498 1.00 0.00 C ATOM 13 O SER A 2 -16.733 -1.177 4.551 1.00 0.00 O ATOM 14 CB SER A 2 -18.825 -2.822 5.721 1.00 0.00 C ATOM 15 OG SER A 2 -19.573 -3.757 4.963 1.00 0.00 O ATOM 0 HA SER A 2 -17.132 -3.880 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.200 -2.796 6.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.959 -1.823 5.306 1.00 0.00 H new ATOM 0 HG SER A 2 -20.520 -3.506 4.976 1.00 0.00 H new ATOM 21 N ARG A 3 -15.511 -1.699 6.366 1.00 0.00 N ATOM 22 CA ARG A 3 -14.643 -0.534 6.246 1.00 0.00 C ATOM 23 C ARG A 3 -13.175 -0.949 6.177 1.00 0.00 C ATOM 24 O ARG A 3 -12.391 -0.364 5.430 1.00 0.00 O ATOM 25 CB ARG A 3 -14.866 0.420 7.421 1.00 0.00 C ATOM 26 CG ARG A 3 -14.660 -0.227 8.782 1.00 0.00 C ATOM 27 CD ARG A 3 -13.330 0.178 9.396 1.00 0.00 C ATOM 28 NE ARG A 3 -13.444 1.396 10.193 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.157 1.485 11.314 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.819 0.430 11.773 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.208 2.632 11.979 1.00 0.00 N ATOM 0 H ARG A 3 -15.297 -2.305 7.158 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.896 -0.019 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.186 1.266 7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.879 0.818 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.472 0.060 9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.700 -1.312 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.959 -0.632 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.596 0.330 8.604 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.948 2.228 9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.783 -0.455 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.364 0.504 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.701 3.446 11.632 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.754 2.700 12.838 1.00 0.00 H new ATOM 45 N VAL A 4 -12.810 -1.961 6.959 1.00 0.00 N ATOM 46 CA VAL A 4 -11.436 -2.451 6.982 1.00 0.00 C ATOM 47 C VAL A 4 -11.101 -3.207 5.700 1.00 0.00 C ATOM 48 O VAL A 4 -10.039 -3.007 5.110 1.00 0.00 O ATOM 49 CB VAL A 4 -11.189 -3.381 8.184 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.706 -3.678 8.336 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.752 -2.772 9.461 1.00 0.00 C ATOM 0 H VAL A 4 -13.446 -2.457 7.584 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.792 -1.576 7.068 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.707 -4.322 8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.553 -4.337 9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.338 -4.164 7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.163 -2.746 8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.567 -3.445 10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.268 -1.814 9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.825 -2.620 9.349 1.00 0.00 H new ATOM 61 N LYS A 5 -12.012 -4.076 5.272 1.00 0.00 N ATOM 62 CA LYS A 5 -11.807 -4.857 4.059 1.00 0.00 C ATOM 63 C LYS A 5 -11.690 -3.943 2.845 1.00 0.00 C ATOM 64 O LYS A 5 -10.823 -4.134 1.997 1.00 0.00 O ATOM 65 CB LYS A 5 -12.952 -5.854 3.858 1.00 0.00 C ATOM 66 CG LYS A 5 -12.945 -6.533 2.495 1.00 0.00 C ATOM 67 CD LYS A 5 -11.580 -7.118 2.169 1.00 0.00 C ATOM 68 CE LYS A 5 -11.698 -8.510 1.568 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.632 -8.480 0.080 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.897 -4.256 5.747 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.876 -5.413 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.897 -6.618 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.901 -5.334 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.694 -7.324 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.226 -5.812 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.060 -6.462 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.976 -7.162 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.898 -9.141 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.639 -8.962 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.716 -9.448 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.411 -7.899 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.723 -8.072 -0.219 1.00 0.00 H new ATOM 83 N ALA A 6 -12.562 -2.943 2.773 1.00 0.00 N ATOM 84 CA ALA A 6 -12.545 -1.996 1.666 1.00 0.00 C ATOM 85 C ALA A 6 -11.181 -1.329 1.562 1.00 0.00 C ATOM 86 O ALA A 6 -10.692 -1.045 0.467 1.00 0.00 O ATOM 87 CB ALA A 6 -13.638 -0.954 1.845 1.00 0.00 C ATOM 0 H ALA A 6 -13.288 -2.768 3.468 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.735 -2.538 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.613 -0.253 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.609 -1.447 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.476 -0.413 2.778 1.00 0.00 H new ATOM 93 N LEU A 7 -10.572 -1.091 2.716 1.00 0.00 N ATOM 94 CA LEU A 7 -9.259 -0.467 2.787 1.00 0.00 C ATOM 95 C LEU A 7 -8.230 -1.296 2.023 1.00 0.00 C ATOM 96 O LEU A 7 -7.380 -0.758 1.315 1.00 0.00 O ATOM 97 CB LEU A 7 -8.839 -0.341 4.252 1.00 0.00 C ATOM 98 CG LEU A 7 -8.155 0.969 4.628 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.787 1.065 3.973 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.023 2.158 4.239 1.00 0.00 C ATOM 0 H LEU A 7 -10.972 -1.324 3.625 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.311 0.522 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.724 -0.461 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.166 -1.164 4.491 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.018 0.986 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.315 2.007 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.165 0.234 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.899 1.023 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.518 3.083 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.195 2.146 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.979 2.097 4.760 1.00 0.00 H new ATOM 112 N GLU A 8 -8.319 -2.608 2.183 1.00 0.00 N ATOM 113 CA GLU A 8 -7.404 -3.532 1.521 1.00 0.00 C ATOM 114 C GLU A 8 -7.564 -3.487 0.000 1.00 0.00 C ATOM 115 O GLU A 8 -6.608 -3.712 -0.737 1.00 0.00 O ATOM 116 CB GLU A 8 -7.626 -4.959 2.045 1.00 0.00 C ATOM 117 CG GLU A 8 -8.590 -5.796 1.211 1.00 0.00 C ATOM 118 CD GLU A 8 -7.899 -6.513 0.068 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.093 -7.428 0.342 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.163 -6.160 -1.101 1.00 0.00 O ATOM 0 H GLU A 8 -9.020 -3.061 2.769 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.385 -3.222 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.664 -5.470 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.003 -4.903 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.078 -6.529 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.373 -5.151 0.811 1.00 0.00 H new ATOM 127 N GLU A 9 -8.784 -3.220 -0.458 1.00 0.00 N ATOM 128 CA GLU A 9 -9.078 -3.169 -1.888 1.00 0.00 C ATOM 129 C GLU A 9 -8.384 -1.996 -2.582 1.00 0.00 C ATOM 130 O GLU A 9 -7.946 -2.117 -3.724 1.00 0.00 O ATOM 131 CB GLU A 9 -10.589 -3.076 -2.110 1.00 0.00 C ATOM 132 CG GLU A 9 -11.320 -4.388 -1.876 1.00 0.00 C ATOM 133 CD GLU A 9 -11.302 -5.291 -3.094 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.527 -4.783 -4.213 1.00 0.00 O ATOM 135 OE2 GLU A 9 -11.063 -6.506 -2.928 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.588 -3.035 0.142 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.692 -4.088 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.000 -2.317 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.778 -2.741 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.863 -4.909 -1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.353 -4.179 -1.598 1.00 0.00 H new ATOM 142 N LYS A 10 -8.305 -0.858 -1.900 1.00 0.00 N ATOM 143 CA LYS A 10 -7.681 0.335 -2.473 1.00 0.00 C ATOM 144 C LYS A 10 -6.161 0.195 -2.562 1.00 0.00 C ATOM 145 O LYS A 10 -5.537 0.704 -3.494 1.00 0.00 O ATOM 146 CB LYS A 10 -8.045 1.572 -1.646 1.00 0.00 C ATOM 147 CG LYS A 10 -7.594 1.497 -0.197 1.00 0.00 C ATOM 148 CD LYS A 10 -7.313 2.879 0.371 1.00 0.00 C ATOM 149 CE LYS A 10 -5.827 3.198 0.351 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.432 3.926 -0.888 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.663 -0.734 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.064 0.450 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.599 2.452 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.126 1.710 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.363 1.007 0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.696 0.884 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.855 3.628 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.685 2.935 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.573 3.801 1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.256 2.273 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.574 4.484 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.244 3.241 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.202 4.562 -1.178 1.00 0.00 H new ATOM 164 N VAL A 11 -5.574 -0.484 -1.586 1.00 0.00 N ATOM 165 CA VAL A 11 -4.128 -0.682 -1.544 1.00 0.00 C ATOM 166 C VAL A 11 -3.641 -1.562 -2.695 1.00 0.00 C ATOM 167 O VAL A 11 -2.572 -1.332 -3.258 1.00 0.00 O ATOM 168 CB VAL A 11 -3.706 -1.321 -0.204 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.196 -1.487 -0.126 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.215 -0.493 0.967 1.00 0.00 C ATOM 0 H VAL A 11 -6.078 -0.910 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.669 0.302 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.155 -2.312 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.929 -1.939 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.858 -2.129 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.718 -0.511 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.908 -0.959 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.799 0.513 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.303 -0.439 0.929 1.00 0.00 H new ATOM 180 N LYS A 12 -4.431 -2.574 -3.028 1.00 0.00 N ATOM 181 CA LYS A 12 -4.092 -3.503 -4.100 1.00 0.00 C ATOM 182 C LYS A 12 -4.171 -2.836 -5.460 1.00 0.00 C ATOM 183 O LYS A 12 -3.357 -3.105 -6.343 1.00 0.00 O ATOM 184 CB LYS A 12 -5.007 -4.724 -4.066 1.00 0.00 C ATOM 185 CG LYS A 12 -4.403 -5.949 -4.731 1.00 0.00 C ATOM 186 CD LYS A 12 -5.018 -7.229 -4.192 1.00 0.00 C ATOM 187 CE LYS A 12 -5.016 -8.333 -5.237 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.635 -8.704 -5.652 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.319 -2.774 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.063 -3.825 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.244 -4.962 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.947 -4.478 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.558 -5.894 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.326 -5.962 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.464 -7.558 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.041 -7.034 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.523 -9.211 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.582 -8.007 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.677 -9.483 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.171 -7.882 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.092 -9.007 -4.819 1.00 0.00 H new ATOM 202 N ALA A 13 -5.157 -1.966 -5.631 1.00 0.00 N ATOM 203 CA ALA A 13 -5.330 -1.270 -6.895 1.00 0.00 C ATOM 204 C ALA A 13 -4.055 -0.527 -7.248 1.00 0.00 C ATOM 205 O ALA A 13 -3.658 -0.465 -8.410 1.00 0.00 O ATOM 206 CB ALA A 13 -6.511 -0.310 -6.818 1.00 0.00 C ATOM 0 H ALA A 13 -5.844 -1.728 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.540 -1.999 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.626 0.203 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.420 -0.869 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.333 0.423 -6.032 1.00 0.00 H new ATOM 212 N LEU A 14 -3.396 0.008 -6.228 1.00 0.00 N ATOM 213 CA LEU A 14 -2.137 0.713 -6.430 1.00 0.00 C ATOM 214 C LEU A 14 -1.035 -0.274 -6.791 1.00 0.00 C ATOM 215 O LEU A 14 -0.098 0.056 -7.508 1.00 0.00 O ATOM 216 CB LEU A 14 -1.744 1.510 -5.190 1.00 0.00 C ATOM 217 CG LEU A 14 -1.078 2.853 -5.491 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.397 3.864 -4.405 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.428 2.685 -5.649 1.00 0.00 C ATOM 0 H LEU A 14 -3.710 -0.032 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.272 1.415 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.635 1.686 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.065 0.908 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.477 3.229 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.914 4.813 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.476 4.010 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.031 3.496 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.882 3.653 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.848 2.283 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.633 1.999 -6.471 1.00 0.00 H new ATOM 231 N GLU A 15 -1.155 -1.488 -6.273 1.00 0.00 N ATOM 232 CA GLU A 15 -0.173 -2.536 -6.520 1.00 0.00 C ATOM 233 C GLU A 15 0.063 -2.749 -8.015 1.00 0.00 C ATOM 234 O GLU A 15 1.188 -2.988 -8.448 1.00 0.00 O ATOM 235 CB GLU A 15 -0.654 -3.840 -5.885 1.00 0.00 C ATOM 236 CG GLU A 15 0.428 -4.894 -5.780 1.00 0.00 C ATOM 237 CD GLU A 15 -0.039 -6.261 -6.240 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.881 -6.322 -7.161 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.437 -7.270 -5.678 1.00 0.00 O ATOM 0 H GLU A 15 -1.929 -1.774 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 15 0.772 -2.226 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.042 -3.628 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.482 -4.237 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.287 -4.588 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.766 -4.959 -4.746 1.00 0.00 H new ATOM 246 N GLU A 16 -1.012 -2.673 -8.786 1.00 0.00 N ATOM 247 CA GLU A 16 -0.960 -2.867 -10.234 1.00 0.00 C ATOM 248 C GLU A 16 -0.181 -1.759 -10.933 1.00 0.00 C ATOM 249 O GLU A 16 0.467 -1.995 -11.949 1.00 0.00 O ATOM 250 CB GLU A 16 -2.377 -2.960 -10.812 1.00 0.00 C ATOM 251 CG GLU A 16 -3.128 -1.638 -10.819 1.00 0.00 C ATOM 252 CD GLU A 16 -3.389 -1.122 -12.222 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.416 -1.511 -12.816 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -2.565 -0.329 -12.724 1.00 0.00 O ATOM 0 H GLU A 16 -1.947 -2.475 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.434 -3.804 -10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.318 -3.339 -11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.947 -3.687 -10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.078 -1.761 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.555 -0.896 -10.264 1.00 0.00 H new ATOM 261 N LYS A 17 -0.254 -0.549 -10.392 1.00 0.00 N ATOM 262 CA LYS A 17 0.444 0.585 -10.979 1.00 0.00 C ATOM 263 C LYS A 17 1.954 0.447 -10.795 1.00 0.00 C ATOM 264 O LYS A 17 2.737 0.927 -11.615 1.00 0.00 O ATOM 265 CB LYS A 17 -0.064 1.910 -10.387 1.00 0.00 C ATOM 266 CG LYS A 17 0.376 2.171 -8.956 1.00 0.00 C ATOM 267 CD LYS A 17 0.862 3.597 -8.770 1.00 0.00 C ATOM 268 CE LYS A 17 -0.250 4.604 -9.020 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.462 4.853 -10.472 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.788 -0.329 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 17 0.234 0.594 -12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.282 2.730 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.153 1.917 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.456 1.979 -8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.173 1.477 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.246 3.722 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.690 3.792 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.176 4.239 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.007 5.543 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.789 5.830 -10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.433 4.710 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.178 4.193 -10.837 1.00 0.00 H new ATOM 283 N VAL A 18 2.354 -0.207 -9.707 1.00 0.00 N ATOM 284 CA VAL A 18 3.773 -0.403 -9.406 1.00 0.00 C ATOM 285 C VAL A 18 4.432 -1.389 -10.370 1.00 0.00 C ATOM 286 O VAL A 18 5.521 -1.131 -10.883 1.00 0.00 O ATOM 287 CB VAL A 18 3.968 -0.908 -7.964 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.442 -0.908 -7.590 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.163 -0.063 -6.988 1.00 0.00 C ATOM 0 H VAL A 18 1.718 -0.610 -9.019 1.00 0.00 H new ATOM 0 HA VAL A 18 4.250 0.570 -9.522 1.00 0.00 H new ATOM 0 HB VAL A 18 3.604 -1.934 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.558 -1.268 -6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.990 -1.561 -8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.836 0.105 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.314 -0.435 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.493 0.974 -7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.105 -0.122 -7.243 1.00 0.00 H new ATOM 299 N LYS A 19 3.769 -2.516 -10.615 1.00 0.00 N ATOM 300 CA LYS A 19 4.298 -3.535 -11.517 1.00 0.00 C ATOM 301 C LYS A 19 4.323 -3.026 -12.954 1.00 0.00 C ATOM 302 O LYS A 19 5.119 -3.483 -13.774 1.00 0.00 O ATOM 303 CB LYS A 19 3.462 -4.815 -11.426 1.00 0.00 C ATOM 304 CG LYS A 19 2.062 -4.676 -12.003 1.00 0.00 C ATOM 305 CD LYS A 19 1.875 -5.545 -13.238 1.00 0.00 C ATOM 306 CE LYS A 19 1.863 -7.023 -12.882 1.00 0.00 C ATOM 307 NZ LYS A 19 0.515 -7.480 -12.444 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.865 -2.747 -10.202 1.00 0.00 H new ATOM 0 HA LYS A 19 5.320 -3.760 -11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.983 -5.616 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.386 -5.115 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.327 -4.954 -11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.876 -3.633 -12.260 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.940 -5.281 -13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.678 -5.347 -13.948 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.181 -7.607 -13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.585 -7.211 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.551 -8.493 -12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.222 -6.941 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.170 -7.325 -13.211 1.00 0.00 H new ATOM 321 N ALA A 20 3.451 -2.068 -13.246 1.00 0.00 N ATOM 322 CA ALA A 20 3.372 -1.483 -14.576 1.00 0.00 C ATOM 323 C ALA A 20 4.447 -0.413 -14.762 1.00 0.00 C ATOM 324 O ALA A 20 4.682 0.058 -15.875 1.00 0.00 O ATOM 325 CB ALA A 20 1.987 -0.897 -14.805 1.00 0.00 C ATOM 0 H ALA A 20 2.787 -1.680 -12.576 1.00 0.00 H new ATOM 0 HA ALA A 20 3.547 -2.267 -15.312 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.937 -0.461 -15.803 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.239 -1.685 -14.715 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.791 -0.124 -14.061 1.00 0.00 H new ATOM 331 N LEU A 21 5.097 -0.037 -13.662 1.00 0.00 N ATOM 332 CA LEU A 21 6.148 0.970 -13.695 1.00 0.00 C ATOM 333 C LEU A 21 7.389 0.438 -14.404 1.00 0.00 C ATOM 334 O LEU A 21 8.049 1.161 -15.149 1.00 0.00 O ATOM 335 CB LEU A 21 6.502 1.399 -12.266 1.00 0.00 C ATOM 336 CG LEU A 21 6.707 2.902 -12.060 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.519 3.159 -10.800 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.388 3.531 -13.268 1.00 0.00 C ATOM 0 H LEU A 21 4.911 -0.418 -12.735 1.00 0.00 H new ATOM 0 HA LEU A 21 5.782 1.833 -14.251 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.709 1.063 -11.598 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.413 0.881 -11.965 1.00 0.00 H new ATOM 0 HG LEU A 21 5.727 3.365 -11.945 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.656 4.232 -10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.991 2.752 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.493 2.677 -10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.522 4.599 -13.095 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.361 3.064 -13.422 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.770 3.381 -14.153 1.00 0.00 H new ATOM 350 N GLY A 22 7.700 -0.832 -14.164 1.00 0.00 N ATOM 351 CA GLY A 22 8.861 -1.442 -14.787 1.00 0.00 C ATOM 352 C GLY A 22 9.775 -2.107 -13.778 1.00 0.00 C ATOM 353 O GLY A 22 10.845 -1.587 -13.460 1.00 0.00 O ATOM 0 H GLY A 22 7.169 -1.449 -13.550 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.532 -2.181 -15.517 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.419 -0.681 -15.333 1.00 0.00 H new ATOM 357 N GLY A 23 9.356 -3.264 -13.274 1.00 0.00 N ATOM 358 CA GLY A 23 10.157 -3.985 -12.301 1.00 0.00 C ATOM 359 C GLY A 23 11.562 -4.270 -12.797 1.00 0.00 C ATOM 360 O GLY A 23 11.745 -4.978 -13.788 1.00 0.00 O ATOM 0 H GLY A 23 8.476 -3.715 -13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.212 -3.405 -11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.664 -4.926 -12.056 1.00 0.00 H new ATOM 364 N GLY A 24 12.554 -3.720 -12.106 1.00 0.00 N ATOM 365 CA GLY A 24 13.936 -3.931 -12.498 1.00 0.00 C ATOM 366 C GLY A 24 14.919 -3.295 -11.534 1.00 0.00 C ATOM 367 O GLY A 24 15.974 -2.811 -11.942 1.00 0.00 O ATOM 0 H GLY A 24 12.427 -3.132 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.133 -5.001 -12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.094 -3.521 -13.495 1.00 0.00 H new ATOM 371 N GLY A 25 14.574 -3.296 -10.249 1.00 0.00 N ATOM 372 CA GLY A 25 15.447 -2.714 -9.247 1.00 0.00 C ATOM 373 C GLY A 25 14.705 -1.805 -8.286 1.00 0.00 C ATOM 374 O GLY A 25 14.246 -2.246 -7.232 1.00 0.00 O ATOM 0 H GLY A 25 13.706 -3.689 -9.885 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.932 -3.512 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.236 -2.147 -9.742 1.00 0.00 H new ATOM 378 N ARG A 26 14.590 -0.532 -8.649 1.00 0.00 N ATOM 379 CA ARG A 26 13.901 0.443 -7.809 1.00 0.00 C ATOM 380 C ARG A 26 12.424 0.090 -7.665 1.00 0.00 C ATOM 381 O ARG A 26 11.890 0.077 -6.562 1.00 0.00 O ATOM 382 CB ARG A 26 14.049 1.851 -8.396 1.00 0.00 C ATOM 383 CG ARG A 26 13.069 2.861 -7.818 1.00 0.00 C ATOM 384 CD ARG A 26 13.660 4.259 -7.781 1.00 0.00 C ATOM 385 NE ARG A 26 14.301 4.549 -6.501 1.00 0.00 N ATOM 386 CZ ARG A 26 14.698 5.763 -6.128 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.522 6.803 -6.933 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 15.271 5.938 -4.945 1.00 0.00 N ATOM 0 H ARG A 26 14.964 -0.151 -9.518 1.00 0.00 H new ATOM 0 HA ARG A 26 14.359 0.421 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.066 2.203 -8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.911 1.801 -9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.158 2.867 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.787 2.558 -6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.389 4.365 -8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.873 4.990 -7.966 1.00 0.00 H new ATOM 0 HE ARG A 26 14.453 3.775 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.080 6.674 -7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.828 7.731 -6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.407 5.142 -4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.576 6.868 -4.658 1.00 0.00 H new ATOM 402 N ILE A 27 11.772 -0.174 -8.791 1.00 0.00 N ATOM 403 CA ILE A 27 10.354 -0.512 -8.804 1.00 0.00 C ATOM 404 C ILE A 27 10.079 -1.862 -8.141 1.00 0.00 C ATOM 405 O ILE A 27 9.036 -2.052 -7.523 1.00 0.00 O ATOM 406 CB ILE A 27 9.799 -0.541 -10.242 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.194 0.735 -10.990 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.286 -0.704 -10.225 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.411 0.566 -11.872 1.00 0.00 C ATOM 0 H ILE A 27 12.207 -0.160 -9.714 1.00 0.00 H new ATOM 0 HA ILE A 27 9.850 0.268 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 27 10.230 -1.395 -10.764 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.354 1.062 -11.603 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.387 1.526 -10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.911 -0.723 -11.248 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.026 -1.638 -9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.836 0.131 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.633 1.509 -12.371 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.264 0.269 -11.262 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.215 -0.202 -12.620 1.00 0.00 H new ATOM 421 N GLU A 28 11.005 -2.803 -8.299 1.00 0.00 N ATOM 422 CA GLU A 28 10.846 -4.144 -7.736 1.00 0.00 C ATOM 423 C GLU A 28 10.790 -4.132 -6.206 1.00 0.00 C ATOM 424 O GLU A 28 10.007 -4.863 -5.600 1.00 0.00 O ATOM 425 CB GLU A 28 11.991 -5.046 -8.203 1.00 0.00 C ATOM 426 CG GLU A 28 11.777 -5.631 -9.589 1.00 0.00 C ATOM 427 CD GLU A 28 11.360 -7.089 -9.548 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.216 -7.367 -9.131 1.00 0.00 O ATOM 429 OE2 GLU A 28 12.178 -7.951 -9.933 1.00 0.00 O1- ATOM 0 H GLU A 28 11.875 -2.663 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 28 9.893 -4.533 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.919 -4.474 -8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.115 -5.860 -7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.013 -5.053 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.697 -5.536 -10.166 1.00 0.00 H new ATOM 436 N GLU A 29 11.636 -3.319 -5.588 1.00 0.00 N ATOM 437 CA GLU A 29 11.695 -3.229 -4.129 1.00 0.00 C ATOM 438 C GLU A 29 10.475 -2.513 -3.549 1.00 0.00 C ATOM 439 O GLU A 29 9.975 -2.877 -2.484 1.00 0.00 O ATOM 440 CB GLU A 29 12.972 -2.509 -3.696 1.00 0.00 C ATOM 441 CG GLU A 29 13.126 -1.124 -4.304 1.00 0.00 C ATOM 442 CD GLU A 29 14.249 -0.330 -3.667 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.338 -0.321 -2.420 1.00 0.00 O ATOM 444 OE2 GLU A 29 15.041 0.283 -4.413 1.00 0.00 O1- ATOM 0 H GLU A 29 12.294 -2.709 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 29 11.698 -4.247 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.980 -2.423 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.833 -3.116 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.315 -1.219 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.190 -0.576 -4.193 1.00 0.00 H new ATOM 451 N LEU A 30 10.023 -1.477 -4.242 1.00 0.00 N ATOM 452 CA LEU A 30 8.891 -0.675 -3.803 1.00 0.00 C ATOM 453 C LEU A 30 7.630 -1.518 -3.612 1.00 0.00 C ATOM 454 O LEU A 30 6.935 -1.389 -2.605 1.00 0.00 O ATOM 455 CB LEU A 30 8.640 0.421 -4.838 1.00 0.00 C ATOM 456 CG LEU A 30 8.427 1.824 -4.272 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.746 2.408 -3.792 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.794 2.724 -5.323 1.00 0.00 C ATOM 0 H LEU A 30 10.431 -1.169 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 30 9.131 -0.238 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.487 0.450 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.763 0.148 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 30 7.751 1.758 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.577 3.408 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.164 1.771 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.444 2.465 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.647 3.721 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.449 2.786 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.831 2.311 -5.624 1.00 0.00 H new ATOM 470 N LYS A 31 7.340 -2.376 -4.583 1.00 0.00 N ATOM 471 CA LYS A 31 6.158 -3.234 -4.515 1.00 0.00 C ATOM 472 C LYS A 31 6.273 -4.245 -3.385 1.00 0.00 C ATOM 473 O LYS A 31 5.276 -4.601 -2.765 1.00 0.00 O ATOM 474 CB LYS A 31 5.894 -3.956 -5.842 1.00 0.00 C ATOM 475 CG LYS A 31 7.129 -4.175 -6.701 1.00 0.00 C ATOM 476 CD LYS A 31 7.013 -5.447 -7.527 1.00 0.00 C ATOM 477 CE LYS A 31 7.766 -6.602 -6.886 1.00 0.00 C ATOM 478 NZ LYS A 31 6.854 -7.714 -6.500 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.903 -2.498 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 31 5.310 -2.580 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.439 -4.924 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.167 -3.381 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.269 -3.321 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.012 -4.232 -6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.962 -5.714 -7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.404 -5.268 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.519 -6.975 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.296 -6.244 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.406 -8.481 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.151 -7.365 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.367 -8.073 -7.346 1.00 0.00 H new ATOM 492 N LYS A 32 7.490 -4.712 -3.121 1.00 0.00 N ATOM 493 CA LYS A 32 7.713 -5.690 -2.061 1.00 0.00 C ATOM 494 C LYS A 32 7.187 -5.155 -0.733 1.00 0.00 C ATOM 495 O LYS A 32 6.579 -5.887 0.048 1.00 0.00 O ATOM 496 CB LYS A 32 9.202 -6.022 -1.942 1.00 0.00 C ATOM 497 CG LYS A 32 9.739 -6.834 -3.110 1.00 0.00 C ATOM 498 CD LYS A 32 11.257 -6.918 -3.081 1.00 0.00 C ATOM 499 CE LYS A 32 11.826 -7.253 -4.451 1.00 0.00 C ATOM 500 NZ LYS A 32 12.378 -8.634 -4.501 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.332 -4.431 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 32 7.173 -6.603 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.768 -5.094 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.370 -6.575 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.318 -7.839 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.417 -6.381 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.668 -5.968 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.566 -7.677 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.045 -7.147 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.611 -6.539 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.756 -8.823 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.141 -8.729 -3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.624 -9.317 -4.286 1.00 0.00 H new ATOM 514 N LYS A 33 7.405 -3.867 -0.497 1.00 0.00 N ATOM 515 CA LYS A 33 6.933 -3.222 0.720 1.00 0.00 C ATOM 516 C LYS A 33 5.407 -3.212 0.748 1.00 0.00 C ATOM 517 O LYS A 33 4.790 -3.345 1.805 1.00 0.00 O ATOM 518 CB LYS A 33 7.469 -1.791 0.809 1.00 0.00 C ATOM 519 CG LYS A 33 7.121 -1.089 2.112 1.00 0.00 C ATOM 520 CD LYS A 33 8.349 -0.894 2.987 1.00 0.00 C ATOM 521 CE LYS A 33 9.009 0.452 2.730 1.00 0.00 C ATOM 522 NZ LYS A 33 9.550 1.053 3.981 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.907 -3.248 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 33 7.301 -3.785 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.553 -1.810 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.071 -1.211 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.670 -0.121 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.377 -1.673 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.064 -0.966 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.064 -1.694 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.816 0.329 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.284 1.133 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.992 1.969 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.776 1.195 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.261 0.415 4.393 1.00 0.00 H new ATOM 536 N TYR A 34 4.810 -3.049 -0.429 1.00 0.00 N ATOM 537 CA TYR A 34 3.358 -3.017 -0.562 1.00 0.00 C ATOM 538 C TYR A 34 2.722 -4.286 -0.001 1.00 0.00 C ATOM 539 O TYR A 34 1.657 -4.230 0.609 1.00 0.00 O ATOM 540 CB TYR A 34 2.962 -2.833 -2.032 1.00 0.00 C ATOM 541 CG TYR A 34 2.139 -1.591 -2.281 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.794 -1.547 -1.939 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.708 -0.463 -2.855 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.040 -0.412 -2.162 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.960 0.677 -3.082 1.00 0.00 C ATOM 546 CZ TYR A 34 0.626 0.698 -2.733 1.00 0.00 C ATOM 547 OH TYR A 34 -0.123 1.833 -2.952 1.00 0.00 O ATOM 0 H TYR A 34 5.313 -2.936 -1.309 1.00 0.00 H new ATOM 0 HA TYR A 34 2.988 -2.170 0.015 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.865 -2.790 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.398 -3.706 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.330 -2.414 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.753 -0.476 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.005 -0.394 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.418 1.546 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 34 0.448 2.624 -2.861 1.00 0.00 H new ATOM 557 N GLU A 35 3.376 -5.427 -0.206 1.00 0.00 N ATOM 558 CA GLU A 35 2.862 -6.700 0.290 1.00 0.00 C ATOM 559 C GLU A 35 2.642 -6.637 1.797 1.00 0.00 C ATOM 560 O GLU A 35 1.642 -7.134 2.313 1.00 0.00 O ATOM 561 CB GLU A 35 3.828 -7.836 -0.050 1.00 0.00 C ATOM 562 CG GLU A 35 4.267 -7.847 -1.506 1.00 0.00 C ATOM 563 CD GLU A 35 4.856 -9.179 -1.928 1.00 0.00 C ATOM 564 OE1 GLU A 35 6.071 -9.383 -1.723 1.00 0.00 O ATOM 565 OE2 GLU A 35 4.102 -10.020 -2.461 1.00 0.00 O1- ATOM 0 H GLU A 35 4.260 -5.496 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 35 1.906 -6.894 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.710 -7.755 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.353 -8.788 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.412 -7.615 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.005 -7.061 -1.665 1.00 0.00 H new ATOM 572 N GLU A 36 3.583 -6.008 2.493 1.00 0.00 N ATOM 573 CA GLU A 36 3.499 -5.859 3.940 1.00 0.00 C ATOM 574 C GLU A 36 2.226 -5.113 4.324 1.00 0.00 C ATOM 575 O GLU A 36 1.596 -5.417 5.334 1.00 0.00 O ATOM 576 CB GLU A 36 4.724 -5.112 4.471 1.00 0.00 C ATOM 577 CG GLU A 36 4.769 -5.018 5.987 1.00 0.00 C ATOM 578 CD GLU A 36 5.614 -3.858 6.475 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.741 -3.687 5.964 1.00 0.00 O ATOM 580 OE2 GLU A 36 5.149 -3.120 7.369 1.00 0.00 O1- ATOM 0 H GLU A 36 4.416 -5.592 2.076 1.00 0.00 H new ATOM 0 HA GLU A 36 3.472 -6.853 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.626 -5.614 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.735 -4.106 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.755 -4.910 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.166 -5.948 6.393 1.00 0.00 H new ATOM 587 N LEU A 37 1.867 -4.125 3.510 1.00 0.00 N ATOM 588 CA LEU A 37 0.680 -3.313 3.748 1.00 0.00 C ATOM 589 C LEU A 37 -0.586 -4.166 3.799 1.00 0.00 C ATOM 590 O LEU A 37 -1.431 -3.986 4.674 1.00 0.00 O ATOM 591 CB LEU A 37 0.556 -2.274 2.632 1.00 0.00 C ATOM 592 CG LEU A 37 0.654 -0.815 3.071 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.684 -0.322 3.601 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.745 -0.634 4.115 1.00 0.00 C ATOM 0 H LEU A 37 2.388 -3.866 2.672 1.00 0.00 H new ATOM 0 HA LEU A 37 0.788 -2.822 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.335 -2.465 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.400 -2.420 2.130 1.00 0.00 H new ATOM 0 HG LEU A 37 0.918 -0.217 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.592 0.720 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.438 -0.404 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.982 -0.928 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.795 0.414 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.519 -1.247 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.704 -0.938 3.696 1.00 0.00 H new ATOM 606 N LYS A 38 -0.713 -5.083 2.851 1.00 0.00 N ATOM 607 CA LYS A 38 -1.877 -5.959 2.773 1.00 0.00 C ATOM 608 C LYS A 38 -2.061 -6.766 4.056 1.00 0.00 C ATOM 609 O LYS A 38 -3.182 -6.980 4.507 1.00 0.00 O ATOM 610 CB LYS A 38 -1.745 -6.906 1.579 1.00 0.00 C ATOM 611 CG LYS A 38 -2.124 -6.269 0.251 1.00 0.00 C ATOM 612 CD LYS A 38 -3.407 -6.865 -0.309 1.00 0.00 C ATOM 613 CE LYS A 38 -3.128 -8.113 -1.130 1.00 0.00 C ATOM 614 NZ LYS A 38 -4.371 -8.888 -1.403 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.020 -5.242 2.120 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.757 -5.329 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.717 -7.263 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.376 -7.779 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.249 -5.194 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.314 -6.409 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.083 -7.110 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.913 -6.125 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.662 -7.830 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.415 -8.745 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.277 -9.387 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.523 -9.580 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.182 -8.239 -1.447 1.00 0.00 H new ATOM 628 N LYS A 39 -0.952 -7.230 4.619 1.00 0.00 N ATOM 629 CA LYS A 39 -0.979 -8.037 5.837 1.00 0.00 C ATOM 630 C LYS A 39 -1.523 -7.262 7.039 1.00 0.00 C ATOM 631 O LYS A 39 -2.217 -7.826 7.882 1.00 0.00 O ATOM 632 CB LYS A 39 0.424 -8.558 6.152 1.00 0.00 C ATOM 633 CG LYS A 39 1.067 -9.309 4.996 1.00 0.00 C ATOM 634 CD LYS A 39 0.307 -10.584 4.666 1.00 0.00 C ATOM 635 CE LYS A 39 1.064 -11.823 5.121 1.00 0.00 C ATOM 636 NZ LYS A 39 1.491 -12.666 3.971 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.016 -7.061 4.250 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.654 -8.873 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.061 -7.718 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.372 -9.217 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.099 -8.666 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.098 -9.555 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.672 -10.559 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.134 -10.637 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.940 -11.523 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.432 -12.411 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.003 -13.500 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.654 -12.974 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.115 -12.114 3.349 1.00 0.00 H new ATOM 650 N LYS A 40 -1.183 -5.979 7.131 1.00 0.00 N ATOM 651 CA LYS A 40 -1.621 -5.144 8.251 1.00 0.00 C ATOM 652 C LYS A 40 -3.139 -4.978 8.281 1.00 0.00 C ATOM 653 O LYS A 40 -3.765 -5.109 9.334 1.00 0.00 O ATOM 654 CB LYS A 40 -0.951 -3.769 8.174 1.00 0.00 C ATOM 655 CG LYS A 40 -0.404 -3.283 9.505 1.00 0.00 C ATOM 656 CD LYS A 40 0.758 -2.322 9.313 1.00 0.00 C ATOM 657 CE LYS A 40 0.316 -1.043 8.617 1.00 0.00 C ATOM 658 NZ LYS A 40 0.305 0.120 9.548 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.606 -5.493 6.445 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.324 -5.648 9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.137 -3.811 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.673 -3.043 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.197 -2.789 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.077 -4.137 10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.193 -2.078 10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.538 -2.806 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.985 -0.834 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.681 -1.183 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.128 0.939 9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.245 -0.120 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.280 0.355 9.822 1.00 0.00 H new ATOM 672 N ILE A 41 -3.723 -4.691 7.126 1.00 0.00 N ATOM 673 CA ILE A 41 -5.166 -4.506 7.020 1.00 0.00 C ATOM 674 C ILE A 41 -5.899 -5.778 7.420 1.00 0.00 C ATOM 675 O ILE A 41 -6.974 -5.732 8.018 1.00 0.00 O ATOM 676 CB ILE A 41 -5.578 -4.105 5.589 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.799 -2.868 5.139 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.077 -3.846 5.515 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.620 -2.778 3.639 1.00 0.00 C ATOM 0 H ILE A 41 -3.219 -4.581 6.246 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.442 -3.700 7.700 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.340 -4.930 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.317 -1.975 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.818 -2.874 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.348 -3.564 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.617 -4.750 5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.341 -3.038 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.059 -1.876 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.075 -3.653 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.597 -2.740 3.158 1.00 0.00 H new ATOM 691 N GLU A 42 -5.296 -6.912 7.094 1.00 0.00 N ATOM 692 CA GLU A 42 -5.863 -8.209 7.422 1.00 0.00 C ATOM 693 C GLU A 42 -5.942 -8.379 8.932 1.00 0.00 C ATOM 694 O GLU A 42 -6.856 -9.019 9.453 1.00 0.00 O ATOM 695 CB GLU A 42 -5.020 -9.329 6.806 1.00 0.00 C ATOM 696 CG GLU A 42 -5.559 -9.833 5.477 1.00 0.00 C ATOM 697 CD GLU A 42 -6.497 -11.013 5.638 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.004 -12.158 5.716 1.00 0.00 O ATOM 699 OE2 GLU A 42 -7.725 -10.792 5.688 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.406 -6.958 6.598 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.870 -8.265 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.001 -8.969 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.968 -10.162 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.084 -9.023 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.725 -10.121 4.837 1.00 0.00 H new ATOM 706 N GLU A 43 -4.970 -7.802 9.631 1.00 0.00 N ATOM 707 CA GLU A 43 -4.918 -7.886 11.085 1.00 0.00 C ATOM 708 C GLU A 43 -5.963 -6.976 11.722 1.00 0.00 C ATOM 709 O GLU A 43 -6.494 -7.276 12.791 1.00 0.00 O ATOM 710 CB GLU A 43 -3.523 -7.514 11.591 1.00 0.00 C ATOM 711 CG GLU A 43 -2.417 -8.385 11.017 1.00 0.00 C ATOM 712 CD GLU A 43 -2.318 -9.730 11.710 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.128 -9.750 12.944 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -2.429 -10.764 11.018 1.00 0.00 O ATOM 0 H GLU A 43 -4.207 -7.270 9.213 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.137 -8.915 11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.321 -6.472 11.342 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.507 -7.590 12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.597 -8.540 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.464 -7.863 11.106 1.00 0.00 H new ATOM 721 N LEU A 44 -6.254 -5.863 11.057 1.00 0.00 N ATOM 722 CA LEU A 44 -7.236 -4.910 11.559 1.00 0.00 C ATOM 723 C LEU A 44 -8.606 -5.566 11.706 1.00 0.00 C ATOM 724 O LEU A 44 -9.008 -6.380 10.874 1.00 0.00 O ATOM 725 CB LEU A 44 -7.329 -3.702 10.621 1.00 0.00 C ATOM 726 CG LEU A 44 -6.690 -2.419 11.155 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.723 -1.326 10.098 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.398 -1.961 12.422 1.00 0.00 C ATOM 0 H LEU A 44 -5.824 -5.599 10.170 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.910 -4.572 12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.855 -3.959 9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.380 -3.506 10.409 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.648 -2.627 11.399 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.264 -0.421 10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.172 -1.655 9.217 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.757 -1.118 9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.931 -1.047 12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.448 -1.769 12.203 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.322 -2.738 13.182 1.00 0.00 H new ATOM 740 N GLY A 45 -9.317 -5.206 12.768 1.00 0.00 N ATOM 741 CA GLY A 45 -10.634 -5.768 13.006 1.00 0.00 C ATOM 742 C GLY A 45 -11.729 -4.722 12.947 1.00 0.00 C ATOM 743 O GLY A 45 -12.748 -4.916 12.284 1.00 0.00 O ATOM 0 H GLY A 45 -9.005 -4.534 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.835 -6.542 12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.649 -6.250 13.983 1.00 0.00 H new ATOM 747 N GLY A 46 -11.519 -3.610 13.644 1.00 0.00 N ATOM 748 CA GLY A 46 -12.504 -2.545 13.656 1.00 0.00 C ATOM 749 C GLY A 46 -12.123 -1.414 14.591 1.00 0.00 C ATOM 750 O GLY A 46 -11.512 -1.642 15.635 1.00 0.00 O ATOM 0 H GLY A 46 -10.684 -3.428 14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.623 -2.153 12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.470 -2.951 13.956 1.00 0.00 H new ATOM 754 N GLY A 47 -12.485 -0.192 14.216 1.00 0.00 N ATOM 755 CA GLY A 47 -12.169 0.960 15.039 1.00 0.00 C ATOM 756 C GLY A 47 -11.607 2.113 14.231 1.00 0.00 C ATOM 757 O GLY A 47 -11.731 2.140 13.006 1.00 0.00 O ATOM 0 H GLY A 47 -12.992 0.021 13.357 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.069 1.289 15.559 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.448 0.670 15.803 1.00 0.00 H new ATOM 761 N GLY A 48 -10.988 3.068 14.916 1.00 0.00 N ATOM 762 CA GLY A 48 -10.415 4.215 14.236 1.00 0.00 C ATOM 763 C GLY A 48 -8.944 4.030 13.920 1.00 0.00 C ATOM 764 O GLY A 48 -8.145 4.952 14.084 1.00 0.00 O ATOM 0 H GLY A 48 -10.873 3.069 15.929 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.962 4.395 13.310 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.541 5.101 14.858 1.00 0.00 H new ATOM 768 N GLU A 49 -8.584 2.833 13.465 1.00 0.00 N ATOM 769 CA GLU A 49 -7.198 2.529 13.124 1.00 0.00 C ATOM 770 C GLU A 49 -7.025 2.384 11.615 1.00 0.00 C ATOM 771 O GLU A 49 -5.928 2.572 11.086 1.00 0.00 O ATOM 772 CB GLU A 49 -6.749 1.248 13.827 1.00 0.00 C ATOM 773 CG GLU A 49 -5.297 0.886 13.558 1.00 0.00 C ATOM 774 CD GLU A 49 -4.504 0.667 14.831 1.00 0.00 C ATOM 775 OE1 GLU A 49 -5.122 0.353 15.870 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -3.263 0.810 14.791 1.00 0.00 O ATOM 0 H GLU A 49 -9.233 2.058 13.324 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.577 3.358 13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.894 1.363 14.901 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.386 0.424 13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.259 -0.018 12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.830 1.681 12.976 1.00 0.00 H new ATOM 783 N VAL A 50 -8.111 2.046 10.925 1.00 0.00 N ATOM 784 CA VAL A 50 -8.077 1.875 9.475 1.00 0.00 C ATOM 785 C VAL A 50 -7.538 3.123 8.785 1.00 0.00 C ATOM 786 O VAL A 50 -6.931 3.039 7.717 1.00 0.00 O ATOM 787 CB VAL A 50 -9.474 1.558 8.911 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.838 0.105 9.168 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.517 2.491 9.508 1.00 0.00 C ATOM 0 H VAL A 50 -9.026 1.885 11.347 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.412 1.035 9.275 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.454 1.717 7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.829 -0.099 8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.107 -0.544 8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.839 -0.085 10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.498 2.251 9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.538 2.368 10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.264 3.523 9.264 1.00 0.00 H new ATOM 799 N LYS A 51 -7.767 4.278 9.398 1.00 0.00 N ATOM 800 CA LYS A 51 -7.308 5.545 8.839 1.00 0.00 C ATOM 801 C LYS A 51 -5.783 5.602 8.798 1.00 0.00 C ATOM 802 O LYS A 51 -5.200 6.224 7.910 1.00 0.00 O ATOM 803 CB LYS A 51 -7.851 6.717 9.661 1.00 0.00 C ATOM 804 CG LYS A 51 -9.323 6.586 10.021 1.00 0.00 C ATOM 805 CD LYS A 51 -10.179 6.332 8.790 1.00 0.00 C ATOM 806 CE LYS A 51 -11.659 6.481 9.101 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.286 5.180 9.459 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.268 4.364 10.282 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.685 5.620 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.269 6.805 10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.705 7.640 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.453 5.769 10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.659 7.496 10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.900 7.030 8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.985 5.329 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.788 7.184 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.170 6.905 8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.295 5.326 9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.186 4.516 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.815 4.787 10.299 1.00 0.00 H new ATOM 821 N LYS A 52 -5.145 4.951 9.765 1.00 0.00 N ATOM 822 CA LYS A 52 -3.689 4.928 9.842 1.00 0.00 C ATOM 823 C LYS A 52 -3.089 4.133 8.686 1.00 0.00 C ATOM 824 O LYS A 52 -2.007 4.455 8.197 1.00 0.00 O ATOM 825 CB LYS A 52 -3.239 4.329 11.177 1.00 0.00 C ATOM 826 CG LYS A 52 -2.972 5.370 12.251 1.00 0.00 C ATOM 827 CD LYS A 52 -2.154 4.793 13.395 1.00 0.00 C ATOM 828 CE LYS A 52 -0.753 4.410 12.944 1.00 0.00 C ATOM 829 NZ LYS A 52 0.292 5.212 13.637 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.614 4.432 10.507 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.332 5.956 9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.005 3.640 11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.333 3.744 11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.442 6.217 11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.919 5.750 12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.090 5.523 14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.660 3.916 13.798 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.586 3.351 13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.666 4.554 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.232 4.921 13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.148 6.221 13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.226 5.055 14.663 1.00 0.00 H new ATOM 843 N VAL A 53 -3.794 3.091 8.260 1.00 0.00 N ATOM 844 CA VAL A 53 -3.329 2.244 7.167 1.00 0.00 C ATOM 845 C VAL A 53 -3.349 2.987 5.835 1.00 0.00 C ATOM 846 O VAL A 53 -2.451 2.818 5.014 1.00 0.00 O ATOM 847 CB VAL A 53 -4.189 0.971 7.039 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.565 -0.001 6.047 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.374 0.315 8.400 1.00 0.00 C ATOM 0 H VAL A 53 -4.692 2.812 8.656 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.303 1.965 7.406 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.171 1.254 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.187 -0.893 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.491 0.474 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.569 -0.282 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.983 -0.582 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.400 0.045 8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.871 1.012 9.075 1.00 0.00 H new ATOM 859 N GLU A 54 -4.376 3.802 5.622 1.00 0.00 N ATOM 860 CA GLU A 54 -4.503 4.562 4.382 1.00 0.00 C ATOM 861 C GLU A 54 -3.317 5.504 4.198 1.00 0.00 C ATOM 862 O GLU A 54 -2.869 5.739 3.078 1.00 0.00 O ATOM 863 CB GLU A 54 -5.809 5.360 4.381 1.00 0.00 C ATOM 864 CG GLU A 54 -7.032 4.528 4.728 1.00 0.00 C ATOM 865 CD GLU A 54 -8.329 5.208 4.334 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.373 5.817 3.245 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.301 5.128 5.114 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.132 3.954 6.290 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.516 3.857 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.724 6.180 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.951 5.806 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.965 3.563 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.040 4.330 5.800 1.00 0.00 H new ATOM 874 N GLU A 55 -2.818 6.035 5.306 1.00 0.00 N ATOM 875 CA GLU A 55 -1.681 6.951 5.282 1.00 0.00 C ATOM 876 C GLU A 55 -0.394 6.218 4.911 1.00 0.00 C ATOM 877 O GLU A 55 0.473 6.763 4.230 1.00 0.00 O ATOM 878 CB GLU A 55 -1.520 7.631 6.643 1.00 0.00 C ATOM 879 CG GLU A 55 -0.835 8.985 6.568 1.00 0.00 C ATOM 880 CD GLU A 55 -0.189 9.385 7.880 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.914 8.879 8.178 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -0.785 10.204 8.611 1.00 0.00 O ATOM 0 H GLU A 55 -3.184 5.847 6.239 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.875 7.709 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.503 7.755 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.946 6.978 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.076 8.961 5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.565 9.742 6.281 1.00 0.00 H new ATOM 889 N GLU A 56 -0.274 4.985 5.385 1.00 0.00 N ATOM 890 CA GLU A 56 0.906 4.166 5.133 1.00 0.00 C ATOM 891 C GLU A 56 1.148 3.959 3.638 1.00 0.00 C ATOM 892 O GLU A 56 2.276 4.082 3.159 1.00 0.00 O ATOM 893 CB GLU A 56 0.736 2.809 5.821 1.00 0.00 C ATOM 894 CG GLU A 56 1.558 2.658 7.087 1.00 0.00 C ATOM 895 CD GLU A 56 3.047 2.588 6.811 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.485 3.123 5.771 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.777 1.998 7.636 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.987 4.526 5.952 1.00 0.00 H new ATOM 0 HA GLU A 56 1.772 4.689 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.317 2.664 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.014 2.020 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.354 3.499 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.247 1.755 7.612 1.00 0.00 H new ATOM 904 N VAL A 57 0.089 3.630 2.912 1.00 0.00 N ATOM 905 CA VAL A 57 0.184 3.384 1.477 1.00 0.00 C ATOM 906 C VAL A 57 0.467 4.665 0.690 1.00 0.00 C ATOM 907 O VAL A 57 1.177 4.637 -0.314 1.00 0.00 O ATOM 908 CB VAL A 57 -1.097 2.710 0.938 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.182 3.735 0.636 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.773 1.882 -0.296 1.00 0.00 C ATOM 0 H VAL A 57 -0.851 3.526 3.294 1.00 0.00 H new ATOM 0 HA VAL A 57 1.027 2.707 1.334 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.484 2.048 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.069 3.226 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.435 4.277 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.820 4.437 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.683 1.411 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.357 2.528 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.046 1.112 -0.037 1.00 0.00 H new ATOM 920 N LYS A 58 -0.097 5.782 1.141 1.00 0.00 N ATOM 921 CA LYS A 58 0.094 7.062 0.463 1.00 0.00 C ATOM 922 C LYS A 58 1.580 7.382 0.304 1.00 0.00 C ATOM 923 O LYS A 58 1.992 7.996 -0.677 1.00 0.00 O ATOM 924 CB LYS A 58 -0.630 8.188 1.217 1.00 0.00 C ATOM 925 CG LYS A 58 0.140 8.753 2.404 1.00 0.00 C ATOM 926 CD LYS A 58 0.606 10.177 2.142 1.00 0.00 C ATOM 927 CE LYS A 58 -0.542 11.167 2.247 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.946 11.402 3.660 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.689 5.828 1.971 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.340 6.984 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.841 8.998 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.591 7.812 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.493 8.734 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.002 8.120 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.384 10.444 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.051 10.238 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.248 12.113 1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.396 10.793 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.609 12.202 3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.407 10.549 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.104 11.620 4.230 1.00 0.00 H new ATOM 942 N LYS A 59 2.377 6.963 1.278 1.00 0.00 N ATOM 943 CA LYS A 59 3.816 7.200 1.248 1.00 0.00 C ATOM 944 C LYS A 59 4.485 6.390 0.137 1.00 0.00 C ATOM 945 O LYS A 59 5.425 6.856 -0.506 1.00 0.00 O ATOM 946 CB LYS A 59 4.436 6.846 2.599 1.00 0.00 C ATOM 947 CG LYS A 59 3.723 7.487 3.778 1.00 0.00 C ATOM 948 CD LYS A 59 4.133 6.848 5.095 1.00 0.00 C ATOM 949 CE LYS A 59 3.339 7.416 6.261 1.00 0.00 C ATOM 950 NZ LYS A 59 4.199 7.672 7.448 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.051 6.456 2.101 1.00 0.00 H new ATOM 0 HA LYS A 59 3.980 8.258 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.425 5.763 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.481 7.157 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.949 8.553 3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.645 7.392 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.981 5.770 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.197 7.011 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.858 8.345 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.545 6.721 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.619 8.059 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.638 6.781 7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.942 8.355 7.198 1.00 0.00 H new ATOM 964 N LEU A 60 4.006 5.166 -0.065 1.00 0.00 N ATOM 965 CA LEU A 60 4.564 4.271 -1.078 1.00 0.00 C ATOM 966 C LEU A 60 4.487 4.871 -2.481 1.00 0.00 C ATOM 967 O LEU A 60 5.455 4.813 -3.240 1.00 0.00 O ATOM 968 CB LEU A 60 3.830 2.929 -1.048 1.00 0.00 C ATOM 969 CG LEU A 60 4.713 1.699 -1.266 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.431 1.789 -2.604 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.714 1.552 -0.131 1.00 0.00 C ATOM 0 H LEU A 60 3.228 4.768 0.462 1.00 0.00 H new ATOM 0 HA LEU A 60 5.617 4.124 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.327 2.830 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.054 2.940 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 60 4.075 0.815 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.055 0.906 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.697 1.845 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.057 2.681 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.333 0.672 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.347 2.438 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.180 1.441 0.813 1.00 0.00 H new ATOM 983 N GLU A 61 3.337 5.442 -2.828 1.00 0.00 N ATOM 984 CA GLU A 61 3.155 6.041 -4.148 1.00 0.00 C ATOM 985 C GLU A 61 4.015 7.289 -4.305 1.00 0.00 C ATOM 986 O GLU A 61 4.502 7.585 -5.395 1.00 0.00 O ATOM 987 CB GLU A 61 1.682 6.376 -4.399 1.00 0.00 C ATOM 988 CG GLU A 61 1.061 7.267 -3.337 1.00 0.00 C ATOM 989 CD GLU A 61 1.465 8.722 -3.485 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.972 9.091 -4.565 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.273 9.491 -2.520 1.00 0.00 O ATOM 0 H GLU A 61 2.521 5.503 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 61 3.473 5.309 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.592 6.866 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.114 5.448 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.025 7.188 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.357 6.910 -2.351 1.00 0.00 H new ATOM 998 N GLU A 62 4.200 8.018 -3.209 1.00 0.00 N ATOM 999 CA GLU A 62 5.004 9.235 -3.222 1.00 0.00 C ATOM 1000 C GLU A 62 6.401 8.947 -3.756 1.00 0.00 C ATOM 1001 O GLU A 62 6.962 9.734 -4.519 1.00 0.00 O ATOM 1002 CB GLU A 62 5.092 9.830 -1.816 1.00 0.00 C ATOM 1003 CG GLU A 62 3.855 10.617 -1.412 1.00 0.00 C ATOM 1004 CD GLU A 62 4.177 12.040 -0.998 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.622 12.238 0.153 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.984 12.956 -1.825 1.00 0.00 O1- ATOM 0 H GLU A 62 3.803 7.786 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 62 4.521 9.958 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.251 9.025 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.963 10.483 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.153 10.635 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.358 10.107 -0.587 1.00 0.00 H new ATOM 1013 N GLU A 63 6.953 7.808 -3.355 1.00 0.00 N ATOM 1014 CA GLU A 63 8.280 7.404 -3.801 1.00 0.00 C ATOM 1015 C GLU A 63 8.271 7.128 -5.299 1.00 0.00 C ATOM 1016 O GLU A 63 9.260 7.364 -5.993 1.00 0.00 O ATOM 1017 CB GLU A 63 8.741 6.158 -3.042 1.00 0.00 C ATOM 1018 CG GLU A 63 8.538 6.249 -1.539 1.00 0.00 C ATOM 1019 CD GLU A 63 9.241 7.445 -0.927 1.00 0.00 C ATOM 1020 OE1 GLU A 63 8.990 8.580 -1.385 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.042 7.247 0.010 1.00 0.00 O ATOM 0 H GLU A 63 6.502 7.148 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 63 8.976 8.217 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.200 5.291 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.798 5.988 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.471 6.310 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.907 5.337 -1.070 1.00 0.00 H new ATOM 1028 N ILE A 64 7.140 6.631 -5.790 1.00 0.00 N ATOM 1029 CA ILE A 64 6.990 6.325 -7.208 1.00 0.00 C ATOM 1030 C ILE A 64 7.167 7.580 -8.058 1.00 0.00 C ATOM 1031 O ILE A 64 7.669 7.517 -9.179 1.00 0.00 O ATOM 1032 CB ILE A 64 5.611 5.700 -7.506 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.377 4.475 -6.620 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.500 5.321 -8.976 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.014 3.846 -6.806 1.00 0.00 C ATOM 0 H ILE A 64 6.314 6.432 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 64 7.766 5.604 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 64 4.843 6.441 -7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.144 3.730 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.495 4.764 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.520 4.882 -9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.624 6.212 -9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.276 4.597 -9.225 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.918 2.983 -6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.241 4.575 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.899 3.526 -7.841 1.00 0.00 H new ATOM 1047 N LYS A 65 6.751 8.719 -7.513 1.00 0.00 N ATOM 1048 CA LYS A 65 6.865 9.990 -8.217 1.00 0.00 C ATOM 1049 C LYS A 65 8.319 10.441 -8.286 1.00 0.00 C ATOM 1050 O LYS A 65 8.732 11.096 -9.244 1.00 0.00 O ATOM 1051 CB LYS A 65 6.017 11.058 -7.522 1.00 0.00 C ATOM 1052 CG LYS A 65 4.534 10.726 -7.481 1.00 0.00 C ATOM 1053 CD LYS A 65 3.912 10.776 -8.867 1.00 0.00 C ATOM 1054 CE LYS A 65 2.659 9.919 -8.948 1.00 0.00 C ATOM 1055 NZ LYS A 65 2.948 8.485 -8.669 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.332 8.787 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 65 6.498 9.851 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.379 11.191 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.154 12.010 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.394 9.733 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.021 11.430 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.665 11.807 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.637 10.432 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.921 10.286 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.218 10.014 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.247 7.889 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.900 8.249 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.899 8.314 -7.644 1.00 0.00 H new ATOM 1069 N LYS A 66 9.092 10.083 -7.266 1.00 0.00 N ATOM 1070 CA LYS A 66 10.503 10.448 -7.213 1.00 0.00 C ATOM 1071 C LYS A 66 11.281 9.753 -8.326 1.00 0.00 C ATOM 1072 O LYS A 66 12.288 10.269 -8.810 1.00 0.00 O ATOM 1073 CB LYS A 66 11.098 10.078 -5.854 1.00 0.00 C ATOM 1074 CG LYS A 66 10.264 10.548 -4.672 1.00 0.00 C ATOM 1075 CD LYS A 66 10.178 12.065 -4.618 1.00 0.00 C ATOM 1076 CE LYS A 66 8.776 12.532 -4.259 1.00 0.00 C ATOM 1077 NZ LYS A 66 8.637 14.009 -4.370 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.766 9.541 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 66 10.581 11.526 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.211 8.995 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.097 10.507 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.261 10.128 -4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.701 10.174 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.888 12.445 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.465 12.481 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.053 12.049 -4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.539 12.221 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.667 14.286 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.309 14.470 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.838 14.304 -5.347 1.00 0.00 H new ATOM 1091 N LEU A 67 10.806 8.578 -8.726 1.00 0.00 N ATOM 1092 CA LEU A 67 11.456 7.809 -9.781 1.00 0.00 C ATOM 1093 C LEU A 67 10.749 8.016 -11.117 1.00 0.00 C ATOM 1094 O LEU A 67 11.429 7.942 -12.162 1.00 0.00 O ATOM 1095 CB LEU A 67 11.488 6.321 -9.406 1.00 0.00 C ATOM 1096 CG LEU A 67 10.247 5.508 -9.785 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.287 5.116 -11.255 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.128 4.269 -8.907 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.522 8.250 -11.107 1.00 0.00 O ATOM 0 H LEU A 67 9.973 8.137 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 67 12.481 8.163 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.356 5.865 -9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.636 6.241 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 67 9.369 6.133 -9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.396 4.539 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.320 6.015 -11.871 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.174 4.513 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.240 3.705 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.012 3.645 -9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.047 4.570 -7.862 1.00 0.00 H new