USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 561 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.104 (180deg=-0.673) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= 0.955 (180deg=0.121) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A 3 -6.525 -9.999 -2.987 1.00 0.00 N ATOM 20 CA ARG A 3 -5.200 -10.109 -2.401 1.00 0.00 C ATOM 21 C ARG A 3 -4.266 -9.055 -2.999 1.00 0.00 C ATOM 22 O ARG A 3 -3.888 -8.099 -2.323 1.00 0.00 O ATOM 23 CB ARG A 3 -4.607 -11.500 -2.636 1.00 0.00 C ATOM 24 CG ARG A 3 -3.423 -11.756 -1.700 1.00 0.00 C ATOM 25 CD ARG A 3 -3.223 -13.255 -1.469 1.00 0.00 C ATOM 26 NE ARG A 3 -2.289 -13.803 -2.478 1.00 0.00 N ATOM 27 CZ ARG A 3 -2.663 -14.243 -3.686 1.00 0.00 C ATOM 28 NH1 ARG A 3 -3.954 -14.202 -4.045 1.00 0.00 N ATOM 29 NH2 ARG A 3 -1.747 -14.724 -4.538 1.00 0.00 N ATOM 0 HA ARG A 3 -5.297 -9.945 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.373 -12.258 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.282 -11.591 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.517 -11.326 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.594 -11.257 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.831 -13.428 -0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.181 -13.772 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.299 -13.848 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.652 -13.835 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.238 -14.537 -4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.764 -14.755 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.033 -15.059 -5.458 1.00 0.00 H new ATOM 43 N VAL A 4 -3.920 -9.266 -4.261 1.00 0.00 N ATOM 44 CA VAL A 4 -3.037 -8.346 -4.959 1.00 0.00 C ATOM 45 C VAL A 4 -3.876 -7.304 -5.701 1.00 0.00 C ATOM 46 O VAL A 4 -3.851 -6.124 -5.358 1.00 0.00 O ATOM 47 CB VAL A 4 -2.095 -9.123 -5.881 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.263 -8.171 -6.743 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.197 -10.066 -5.080 1.00 0.00 C ATOM 0 H VAL A 4 -4.235 -10.060 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.406 -7.810 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.706 -9.731 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.602 -8.749 -7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.927 -7.561 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.667 -7.524 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.538 -10.606 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.598 -9.488 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.814 -10.778 -4.532 1.00 0.00 H new ATOM 59 N LYS A 5 -4.601 -7.779 -6.703 1.00 0.00 N ATOM 60 CA LYS A 5 -5.446 -6.903 -7.497 1.00 0.00 C ATOM 61 C LYS A 5 -6.301 -6.045 -6.564 1.00 0.00 C ATOM 62 O LYS A 5 -6.141 -4.826 -6.515 1.00 0.00 O ATOM 63 CB LYS A 5 -6.262 -7.715 -8.505 1.00 0.00 C ATOM 64 CG LYS A 5 -5.427 -8.853 -9.097 1.00 0.00 C ATOM 65 CD LYS A 5 -5.586 -8.917 -10.618 1.00 0.00 C ATOM 66 CE LYS A 5 -6.270 -10.217 -11.043 1.00 0.00 C ATOM 67 NZ LYS A 5 -6.459 -10.249 -12.510 1.00 0.00 N ATOM 0 H LYS A 5 -4.621 -8.760 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.837 -6.221 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.147 -8.124 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.612 -7.062 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.377 -8.708 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.734 -9.801 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.171 -8.064 -10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.608 -8.844 -11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.669 -11.070 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.235 -10.307 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.925 -11.139 -12.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.051 -9.445 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.534 -10.185 -12.981 1.00 0.00 H new ATOM 81 N ALA A 6 -7.192 -6.714 -5.846 1.00 0.00 N ATOM 82 CA ALA A 6 -8.073 -6.027 -4.917 1.00 0.00 C ATOM 83 C ALA A 6 -7.276 -4.964 -4.156 1.00 0.00 C ATOM 84 O ALA A 6 -7.833 -3.954 -3.731 1.00 0.00 O ATOM 85 CB ALA A 6 -8.724 -7.047 -3.981 1.00 0.00 C ATOM 0 H ALA A 6 -7.322 -7.725 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.874 -5.518 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.385 -6.531 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.301 -7.762 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.950 -7.575 -3.424 1.00 0.00 H new ATOM 91 N LEU A 7 -5.987 -5.231 -4.009 1.00 0.00 N ATOM 92 CA LEU A 7 -5.108 -4.310 -3.308 1.00 0.00 C ATOM 93 C LEU A 7 -4.706 -3.175 -4.252 1.00 0.00 C ATOM 94 O LEU A 7 -4.918 -2.002 -3.945 1.00 0.00 O ATOM 95 CB LEU A 7 -3.918 -5.059 -2.705 1.00 0.00 C ATOM 96 CG LEU A 7 -3.867 -5.118 -1.177 1.00 0.00 C ATOM 97 CD1 LEU A 7 -4.045 -3.726 -0.568 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.889 -6.116 -0.632 1.00 0.00 C ATOM 0 H LEU A 7 -5.530 -6.071 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.629 -3.854 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.924 -6.079 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.001 -4.590 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.880 -5.475 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.005 -3.797 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.248 -3.071 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.010 -3.318 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.831 -6.138 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.891 -5.813 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.674 -7.109 -1.027 1.00 0.00 H new ATOM 110 N GLU A 8 -4.133 -3.564 -5.382 1.00 0.00 N ATOM 111 CA GLU A 8 -3.700 -2.594 -6.373 1.00 0.00 C ATOM 112 C GLU A 8 -4.685 -1.425 -6.439 1.00 0.00 C ATOM 113 O GLU A 8 -4.293 -0.292 -6.708 1.00 0.00 O ATOM 114 CB GLU A 8 -3.534 -3.249 -7.745 1.00 0.00 C ATOM 115 CG GLU A 8 -2.663 -2.388 -8.663 1.00 0.00 C ATOM 116 CD GLU A 8 -2.308 -3.140 -9.947 1.00 0.00 C ATOM 117 OE1 GLU A 8 -3.185 -3.894 -10.424 1.00 0.00 O ATOM 118 OE2 GLU A 8 -1.168 -2.946 -10.422 1.00 0.00 O ATOM 0 H GLU A 8 -3.959 -4.537 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.727 -2.206 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.083 -4.234 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.513 -3.398 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.190 -1.467 -8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.750 -2.102 -8.141 1.00 0.00 H new ATOM 125 N GLU A 9 -5.947 -1.742 -6.188 1.00 0.00 N ATOM 126 CA GLU A 9 -6.992 -0.733 -6.216 1.00 0.00 C ATOM 127 C GLU A 9 -6.626 0.435 -5.297 1.00 0.00 C ATOM 128 O GLU A 9 -6.558 1.580 -5.741 1.00 0.00 O ATOM 129 CB GLU A 9 -8.344 -1.333 -5.826 1.00 0.00 C ATOM 130 CG GLU A 9 -9.149 -1.723 -7.068 1.00 0.00 C ATOM 131 CD GLU A 9 -10.643 -1.473 -6.854 1.00 0.00 C ATOM 132 OE1 GLU A 9 -10.988 -0.305 -6.570 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.407 -2.454 -6.979 1.00 0.00 O ATOM 0 H GLU A 9 -6.269 -2.684 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.079 -0.356 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.189 -2.210 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.908 -0.613 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.800 -1.149 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.982 -2.775 -7.298 1.00 0.00 H new ATOM 140 N LYS A 10 -6.399 0.105 -4.034 1.00 0.00 N ATOM 141 CA LYS A 10 -6.042 1.112 -3.051 1.00 0.00 C ATOM 142 C LYS A 10 -4.621 1.607 -3.327 1.00 0.00 C ATOM 143 O LYS A 10 -4.386 2.811 -3.424 1.00 0.00 O ATOM 144 CB LYS A 10 -6.240 0.570 -1.633 1.00 0.00 C ATOM 145 CG LYS A 10 -6.655 1.688 -0.672 1.00 0.00 C ATOM 146 CD LYS A 10 -8.162 1.938 -0.740 1.00 0.00 C ATOM 147 CE LYS A 10 -8.825 1.669 0.612 1.00 0.00 C ATOM 148 NZ LYS A 10 -10.245 1.292 0.428 1.00 0.00 N ATOM 0 H LYS A 10 -6.456 -0.846 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.702 1.975 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.002 -0.209 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.316 0.109 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.373 1.420 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.119 2.604 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.350 2.968 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.606 1.296 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.295 0.870 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.757 2.557 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.680 1.113 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.751 2.066 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.303 0.432 -0.153 1.00 0.00 H new ATOM 162 N VAL A 11 -3.708 0.652 -3.444 1.00 0.00 N ATOM 163 CA VAL A 11 -2.316 0.976 -3.706 1.00 0.00 C ATOM 164 C VAL A 11 -2.240 1.982 -4.858 1.00 0.00 C ATOM 165 O VAL A 11 -1.629 3.040 -4.723 1.00 0.00 O ATOM 166 CB VAL A 11 -1.524 -0.303 -3.977 1.00 0.00 C ATOM 167 CG1 VAL A 11 -0.055 0.012 -4.265 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.655 -1.286 -2.811 1.00 0.00 C ATOM 0 H VAL A 11 -3.906 -0.345 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.862 1.445 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.945 -0.776 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.486 -0.915 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.014 0.657 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.384 0.519 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.082 -2.187 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.272 -0.824 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.704 -1.547 -2.672 1.00 0.00 H new ATOM 178 N LYS A 12 -2.869 1.615 -5.965 1.00 0.00 N ATOM 179 CA LYS A 12 -2.880 2.471 -7.139 1.00 0.00 C ATOM 180 C LYS A 12 -3.276 3.890 -6.725 1.00 0.00 C ATOM 181 O LYS A 12 -2.626 4.858 -7.117 1.00 0.00 O ATOM 182 CB LYS A 12 -3.773 1.874 -8.228 1.00 0.00 C ATOM 183 CG LYS A 12 -4.009 2.882 -9.355 1.00 0.00 C ATOM 184 CD LYS A 12 -3.424 2.376 -10.675 1.00 0.00 C ATOM 185 CE LYS A 12 -4.493 2.337 -11.770 1.00 0.00 C ATOM 186 NZ LYS A 12 -4.426 1.061 -12.516 1.00 0.00 N ATOM 0 H LYS A 12 -3.375 0.736 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.884 2.533 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.309 0.974 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.728 1.574 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.078 3.059 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.554 3.838 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.604 3.024 -10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.007 1.379 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.481 2.453 -11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.351 3.173 -12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.158 1.052 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.489 0.965 -12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.584 0.268 -11.862 1.00 0.00 H new ATOM 200 N ALA A 13 -4.341 3.968 -5.942 1.00 0.00 N ATOM 201 CA ALA A 13 -4.832 5.252 -5.473 1.00 0.00 C ATOM 202 C ALA A 13 -3.752 5.927 -4.623 1.00 0.00 C ATOM 203 O ALA A 13 -3.497 7.121 -4.773 1.00 0.00 O ATOM 204 CB ALA A 13 -6.137 5.049 -4.701 1.00 0.00 C ATOM 0 H ALA A 13 -4.878 3.163 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.049 5.910 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.505 6.013 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.880 4.594 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.957 4.396 -3.847 1.00 0.00 H new ATOM 210 N LEU A 14 -3.147 5.133 -3.752 1.00 0.00 N ATOM 211 CA LEU A 14 -2.101 5.638 -2.880 1.00 0.00 C ATOM 212 C LEU A 14 -1.028 6.329 -3.725 1.00 0.00 C ATOM 213 O LEU A 14 -0.548 7.403 -3.367 1.00 0.00 O ATOM 214 CB LEU A 14 -1.557 4.518 -1.991 1.00 0.00 C ATOM 215 CG LEU A 14 -2.527 3.957 -0.950 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.771 3.259 0.183 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.462 5.050 -0.427 1.00 0.00 C ATOM 0 H LEU A 14 -3.362 4.143 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.502 6.388 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.229 3.699 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.673 4.890 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.150 3.204 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.484 2.869 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.182 2.437 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.108 3.973 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.141 4.625 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.873 5.842 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.038 5.463 -1.255 1.00 0.00 H new ATOM 229 N GLU A 15 -0.685 5.684 -4.831 1.00 0.00 N ATOM 230 CA GLU A 15 0.323 6.223 -5.729 1.00 0.00 C ATOM 231 C GLU A 15 -0.071 7.630 -6.184 1.00 0.00 C ATOM 232 O GLU A 15 0.762 8.535 -6.204 1.00 0.00 O ATOM 233 CB GLU A 15 0.537 5.299 -6.928 1.00 0.00 C ATOM 234 CG GLU A 15 1.492 5.931 -7.944 1.00 0.00 C ATOM 235 CD GLU A 15 2.016 4.885 -8.929 1.00 0.00 C ATOM 236 OE1 GLU A 15 1.165 4.262 -9.600 1.00 0.00 O ATOM 237 OE2 GLU A 15 3.254 4.733 -8.991 1.00 0.00 O ATOM 0 H GLU A 15 -1.087 4.794 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 15 1.267 6.288 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.940 4.345 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.420 5.089 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.977 6.723 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.329 6.395 -7.422 1.00 0.00 H new ATOM 244 N GLU A 16 -1.340 7.771 -6.537 1.00 0.00 N ATOM 245 CA GLU A 16 -1.853 9.053 -6.989 1.00 0.00 C ATOM 246 C GLU A 16 -2.031 10.002 -5.804 1.00 0.00 C ATOM 247 O GLU A 16 -1.603 11.154 -5.856 1.00 0.00 O ATOM 248 CB GLU A 16 -3.167 8.878 -7.754 1.00 0.00 C ATOM 249 CG GLU A 16 -3.038 9.388 -9.190 1.00 0.00 C ATOM 250 CD GLU A 16 -4.227 8.937 -10.041 1.00 0.00 C ATOM 251 OE1 GLU A 16 -4.151 7.806 -10.568 1.00 0.00 O ATOM 252 OE2 GLU A 16 -5.184 9.734 -10.146 1.00 0.00 O ATOM 0 H GLU A 16 -2.028 7.018 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.127 9.492 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.450 7.825 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.964 9.418 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.979 10.476 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.111 9.019 -9.629 1.00 0.00 H new ATOM 259 N LYS A 17 -2.662 9.484 -4.760 1.00 0.00 N ATOM 260 CA LYS A 17 -2.902 10.271 -3.563 1.00 0.00 C ATOM 261 C LYS A 17 -1.561 10.704 -2.966 1.00 0.00 C ATOM 262 O LYS A 17 -1.285 11.897 -2.852 1.00 0.00 O ATOM 263 CB LYS A 17 -3.791 9.501 -2.584 1.00 0.00 C ATOM 264 CG LYS A 17 -5.104 10.246 -2.334 1.00 0.00 C ATOM 265 CD LYS A 17 -6.256 9.264 -2.109 1.00 0.00 C ATOM 266 CE LYS A 17 -6.742 9.312 -0.659 1.00 0.00 C ATOM 267 NZ LYS A 17 -6.812 7.949 -0.090 1.00 0.00 N ATOM 0 H LYS A 17 -3.015 8.528 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.451 11.180 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.002 8.508 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.263 9.361 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.999 10.894 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.330 10.889 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.080 9.505 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.930 8.253 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.067 9.927 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.724 9.782 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.144 8.000 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.474 7.373 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.868 7.513 -0.115 1.00 0.00 H new ATOM 281 N VAL A 18 -0.764 9.711 -2.600 1.00 0.00 N ATOM 282 CA VAL A 18 0.541 9.975 -2.018 1.00 0.00 C ATOM 283 C VAL A 18 1.245 11.064 -2.829 1.00 0.00 C ATOM 284 O VAL A 18 1.851 11.972 -2.261 1.00 0.00 O ATOM 285 CB VAL A 18 1.347 8.677 -1.931 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.776 8.950 -1.460 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.654 7.661 -1.021 1.00 0.00 C ATOM 0 H VAL A 18 -0.997 8.722 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 18 0.437 10.346 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 18 1.400 8.248 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.327 8.011 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.269 9.621 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.752 9.413 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.248 6.748 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.555 8.078 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.335 7.432 -1.418 1.00 0.00 H new ATOM 297 N LYS A 19 1.144 10.937 -4.143 1.00 0.00 N ATOM 298 CA LYS A 19 1.765 11.900 -5.039 1.00 0.00 C ATOM 299 C LYS A 19 0.968 13.205 -5.007 1.00 0.00 C ATOM 300 O LYS A 19 1.543 14.290 -5.078 1.00 0.00 O ATOM 301 CB LYS A 19 1.919 11.305 -6.440 1.00 0.00 C ATOM 302 CG LYS A 19 2.442 12.354 -7.424 1.00 0.00 C ATOM 303 CD LYS A 19 1.288 13.049 -8.150 1.00 0.00 C ATOM 304 CE LYS A 19 1.468 12.972 -9.667 1.00 0.00 C ATOM 305 NZ LYS A 19 0.529 11.989 -10.251 1.00 0.00 N ATOM 0 H LYS A 19 0.642 10.182 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 19 2.776 12.136 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.604 10.458 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.958 10.924 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.038 13.094 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.100 11.879 -8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.344 12.583 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.234 14.092 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.298 13.953 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.494 12.689 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.664 11.949 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.710 11.050 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.448 12.276 -10.041 1.00 0.00 H new ATOM 319 N ALA A 20 -0.345 13.058 -4.901 1.00 0.00 N ATOM 320 CA ALA A 20 -1.226 14.212 -4.861 1.00 0.00 C ATOM 321 C ALA A 20 -0.842 15.100 -3.677 1.00 0.00 C ATOM 322 O ALA A 20 -1.009 16.319 -3.729 1.00 0.00 O ATOM 323 CB ALA A 20 -2.680 13.742 -4.789 1.00 0.00 C ATOM 0 H ALA A 20 -0.819 12.157 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.120 14.807 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.341 14.608 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.911 13.139 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.825 13.144 -3.890 1.00 0.00 H new ATOM 329 N LEU A 21 -0.334 14.458 -2.636 1.00 0.00 N ATOM 330 CA LEU A 21 0.076 15.174 -1.440 1.00 0.00 C ATOM 331 C LEU A 21 1.161 16.189 -1.806 1.00 0.00 C ATOM 332 O LEU A 21 2.026 15.908 -2.634 1.00 0.00 O ATOM 333 CB LEU A 21 0.497 14.192 -0.344 1.00 0.00 C ATOM 334 CG LEU A 21 -0.308 12.894 -0.262 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.036 12.115 1.009 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.809 13.171 -0.376 1.00 0.00 C ATOM 0 H LEU A 21 -0.197 13.448 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.762 15.736 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.546 13.937 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.428 14.700 0.618 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.031 12.267 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.550 11.197 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.098 11.868 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.194 12.725 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.358 12.231 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.121 13.827 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.019 13.652 -1.331 1.00 0.00 H new ATOM 348 N GLY A 22 1.080 17.349 -1.170 1.00 0.00 N ATOM 349 CA GLY A 22 2.044 18.408 -1.419 1.00 0.00 C ATOM 350 C GLY A 22 3.476 17.881 -1.310 1.00 0.00 C ATOM 351 O GLY A 22 4.388 18.420 -1.936 1.00 0.00 O ATOM 0 H GLY A 22 0.362 17.579 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.881 18.827 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.895 19.217 -0.703 1.00 0.00 H new ATOM 355 N GLY A 23 3.630 16.834 -0.514 1.00 0.00 N ATOM 356 CA GLY A 23 4.935 16.228 -0.317 1.00 0.00 C ATOM 357 C GLY A 23 5.981 17.285 0.042 1.00 0.00 C ATOM 358 O GLY A 23 5.642 18.444 0.281 1.00 0.00 O ATOM 0 H GLY A 23 2.871 16.389 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.878 15.483 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.238 15.705 -1.224 1.00 0.00 H new ATOM 362 N GLY A 24 7.233 16.849 0.070 1.00 0.00 N ATOM 363 CA GLY A 24 8.330 17.743 0.397 1.00 0.00 C ATOM 364 C GLY A 24 8.720 17.616 1.870 1.00 0.00 C ATOM 365 O GLY A 24 9.048 18.610 2.517 1.00 0.00 O ATOM 0 H GLY A 24 7.511 15.888 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.190 17.514 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.042 18.772 0.181 1.00 0.00 H new ATOM 369 N GLY A 25 8.672 16.386 2.359 1.00 0.00 N ATOM 370 CA GLY A 25 9.017 16.116 3.744 1.00 0.00 C ATOM 371 C GLY A 25 7.811 15.574 4.514 1.00 0.00 C ATOM 372 O GLY A 25 7.438 16.114 5.553 1.00 0.00 O ATOM 0 H GLY A 25 8.399 15.564 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.833 15.395 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.375 17.030 4.218 1.00 0.00 H new ATOM 376 N ARG A 26 7.234 14.510 3.973 1.00 0.00 N ATOM 377 CA ARG A 26 6.079 13.887 4.595 1.00 0.00 C ATOM 378 C ARG A 26 5.794 12.530 3.949 1.00 0.00 C ATOM 379 O ARG A 26 6.130 11.488 4.510 1.00 0.00 O ATOM 380 CB ARG A 26 4.839 14.775 4.468 1.00 0.00 C ATOM 381 CG ARG A 26 4.347 15.231 5.843 1.00 0.00 C ATOM 382 CD ARG A 26 3.757 16.640 5.776 1.00 0.00 C ATOM 383 NE ARG A 26 2.613 16.756 6.708 1.00 0.00 N ATOM 384 CZ ARG A 26 1.743 17.774 6.706 1.00 0.00 C ATOM 385 NH1 ARG A 26 1.880 18.772 5.822 1.00 0.00 N ATOM 386 NH2 ARG A 26 0.736 17.796 7.590 1.00 0.00 N ATOM 0 H ARG A 26 7.546 14.064 3.110 1.00 0.00 H new ATOM 0 HA ARG A 26 6.307 13.749 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.072 15.645 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.046 14.228 3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.594 14.535 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.174 15.213 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.520 17.375 6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.431 16.859 4.759 1.00 0.00 H new ATOM 0 HE ARG A 26 2.479 16.014 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.647 18.756 5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.217 19.547 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.632 17.038 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.073 18.571 7.589 1.00 0.00 H new ATOM 400 N ILE A 27 5.178 12.586 2.776 1.00 0.00 N ATOM 401 CA ILE A 27 4.845 11.375 2.048 1.00 0.00 C ATOM 402 C ILE A 27 6.067 10.455 2.008 1.00 0.00 C ATOM 403 O ILE A 27 5.933 9.234 2.054 1.00 0.00 O ATOM 404 CB ILE A 27 4.287 11.717 0.664 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.215 12.683 -0.076 1.00 0.00 C ATOM 406 CG2 ILE A 27 2.861 12.260 0.768 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.475 13.390 -1.213 1.00 0.00 C ATOM 0 H ILE A 27 4.901 13.452 2.313 1.00 0.00 H new ATOM 0 HA ILE A 27 4.052 10.830 2.560 1.00 0.00 H new ATOM 0 HB ILE A 27 4.241 10.800 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.608 13.422 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.069 12.137 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.488 12.495 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.219 11.509 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.859 13.163 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.157 14.071 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.104 12.649 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.636 13.954 -0.806 1.00 0.00 H new ATOM 419 N GLU A 28 7.233 11.080 1.922 1.00 0.00 N ATOM 420 CA GLU A 28 8.479 10.333 1.876 1.00 0.00 C ATOM 421 C GLU A 28 8.376 9.073 2.738 1.00 0.00 C ATOM 422 O GLU A 28 8.490 7.958 2.232 1.00 0.00 O ATOM 423 CB GLU A 28 9.657 11.204 2.316 1.00 0.00 C ATOM 424 CG GLU A 28 10.988 10.482 2.091 1.00 0.00 C ATOM 425 CD GLU A 28 12.033 11.429 1.498 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.272 12.478 2.134 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.567 11.082 0.423 1.00 0.00 O ATOM 0 H GLU A 28 7.341 12.094 1.883 1.00 0.00 H new ATOM 0 HA GLU A 28 8.659 10.029 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.649 12.141 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.551 11.459 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.352 10.080 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.838 9.635 1.421 1.00 0.00 H new ATOM 434 N GLU A 29 8.163 9.293 4.027 1.00 0.00 N ATOM 435 CA GLU A 29 8.043 8.190 4.965 1.00 0.00 C ATOM 436 C GLU A 29 7.127 7.106 4.395 1.00 0.00 C ATOM 437 O GLU A 29 7.596 6.050 3.972 1.00 0.00 O ATOM 438 CB GLU A 29 7.536 8.678 6.323 1.00 0.00 C ATOM 439 CG GLU A 29 7.946 7.715 7.440 1.00 0.00 C ATOM 440 CD GLU A 29 6.759 7.396 8.352 1.00 0.00 C ATOM 441 OE1 GLU A 29 6.254 8.351 8.980 1.00 0.00 O ATOM 442 OE2 GLU A 29 6.384 6.204 8.399 1.00 0.00 O ATOM 0 H GLU A 29 8.070 10.219 4.444 1.00 0.00 H new ATOM 0 HA GLU A 29 9.032 7.759 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.936 9.671 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.450 8.770 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.334 6.793 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.752 8.155 8.027 1.00 0.00 H new ATOM 449 N LEU A 30 5.836 7.404 4.400 1.00 0.00 N ATOM 450 CA LEU A 30 4.849 6.467 3.890 1.00 0.00 C ATOM 451 C LEU A 30 5.297 5.959 2.517 1.00 0.00 C ATOM 452 O LEU A 30 5.165 4.774 2.217 1.00 0.00 O ATOM 453 CB LEU A 30 3.457 7.104 3.886 1.00 0.00 C ATOM 454 CG LEU A 30 3.294 8.354 3.018 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.303 7.994 1.531 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.038 9.134 3.411 1.00 0.00 C ATOM 0 H LEU A 30 5.450 8.281 4.749 1.00 0.00 H new ATOM 0 HA LEU A 30 4.775 5.598 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.738 6.357 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.194 7.361 4.912 1.00 0.00 H new ATOM 0 HG LEU A 30 4.148 9.007 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.186 8.900 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.249 7.514 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.481 7.311 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.946 10.017 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.161 8.501 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.112 9.440 4.454 1.00 0.00 H new ATOM 468 N LYS A 31 5.817 6.882 1.722 1.00 0.00 N ATOM 469 CA LYS A 31 6.286 6.543 0.389 1.00 0.00 C ATOM 470 C LYS A 31 7.358 5.456 0.491 1.00 0.00 C ATOM 471 O LYS A 31 7.499 4.632 -0.412 1.00 0.00 O ATOM 472 CB LYS A 31 6.751 7.799 -0.351 1.00 0.00 C ATOM 473 CG LYS A 31 5.617 8.394 -1.188 1.00 0.00 C ATOM 474 CD LYS A 31 6.166 9.103 -2.429 1.00 0.00 C ATOM 475 CE LYS A 31 6.744 8.096 -3.425 1.00 0.00 C ATOM 476 NZ LYS A 31 6.264 8.388 -4.795 1.00 0.00 N ATOM 0 H LYS A 31 5.924 7.864 1.975 1.00 0.00 H new ATOM 0 HA LYS A 31 5.472 6.133 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.104 8.539 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.594 7.554 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.930 7.604 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.046 9.099 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.371 9.676 -2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.939 9.813 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.833 8.134 -3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.453 7.085 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.666 7.695 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.226 8.329 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.563 9.345 -5.071 1.00 0.00 H new ATOM 490 N LYS A 32 8.086 5.490 1.597 1.00 0.00 N ATOM 491 CA LYS A 32 9.141 4.518 1.828 1.00 0.00 C ATOM 492 C LYS A 32 8.522 3.129 1.989 1.00 0.00 C ATOM 493 O LYS A 32 8.895 2.193 1.283 1.00 0.00 O ATOM 494 CB LYS A 32 10.013 4.945 3.013 1.00 0.00 C ATOM 495 CG LYS A 32 10.483 6.391 2.853 1.00 0.00 C ATOM 496 CD LYS A 32 11.988 6.509 3.102 1.00 0.00 C ATOM 497 CE LYS A 32 12.782 6.074 1.869 1.00 0.00 C ATOM 498 NZ LYS A 32 14.237 6.183 2.124 1.00 0.00 N ATOM 0 H LYS A 32 7.966 6.175 2.343 1.00 0.00 H new ATOM 0 HA LYS A 32 9.811 4.471 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.449 4.842 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.877 4.284 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.248 6.745 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.944 7.032 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.239 7.539 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.269 5.893 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.528 5.046 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.509 6.695 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.761 5.884 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.477 7.170 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.496 5.572 2.925 1.00 0.00 H new ATOM 512 N LYS A 33 7.587 3.037 2.924 1.00 0.00 N ATOM 513 CA LYS A 33 6.913 1.777 3.187 1.00 0.00 C ATOM 514 C LYS A 33 6.048 1.405 1.980 1.00 0.00 C ATOM 515 O LYS A 33 5.920 0.228 1.644 1.00 0.00 O ATOM 516 CB LYS A 33 6.133 1.851 4.502 1.00 0.00 C ATOM 517 CG LYS A 33 7.078 2.060 5.688 1.00 0.00 C ATOM 518 CD LYS A 33 6.753 1.091 6.826 1.00 0.00 C ATOM 519 CE LYS A 33 7.719 1.278 7.997 1.00 0.00 C ATOM 520 NZ LYS A 33 7.960 -0.013 8.681 1.00 0.00 N ATOM 0 H LYS A 33 7.281 3.815 3.509 1.00 0.00 H new ATOM 0 HA LYS A 33 7.640 0.976 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.414 2.669 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.563 0.933 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.109 1.915 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.997 3.087 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.730 1.252 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.811 0.065 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.663 1.687 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.308 2.000 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.618 0.131 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.060 -0.388 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.372 -0.691 8.008 1.00 0.00 H new ATOM 534 N TRP A 34 5.478 2.429 1.363 1.00 0.00 N ATOM 535 CA TRP A 34 4.629 2.224 0.201 1.00 0.00 C ATOM 536 C TRP A 34 5.449 1.483 -0.858 1.00 0.00 C ATOM 537 O TRP A 34 4.893 0.775 -1.695 1.00 0.00 O ATOM 538 CB TRP A 34 4.060 3.551 -0.304 1.00 0.00 C ATOM 539 CG TRP A 34 4.025 3.673 -1.828 1.00 0.00 C ATOM 540 CD1 TRP A 34 4.993 4.117 -2.643 1.00 0.00 C ATOM 541 CD2 TRP A 34 2.923 3.329 -2.693 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.596 4.082 -3.964 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.297 3.588 -3.996 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.651 2.815 -2.386 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.458 3.365 -5.094 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.825 2.596 -3.494 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.187 2.853 -4.811 1.00 0.00 C ATOM 0 H TRP A 34 5.587 3.403 1.645 1.00 0.00 H new ATOM 0 HA TRP A 34 3.762 1.616 0.459 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.048 3.672 0.083 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.656 4.368 0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.961 4.459 -2.308 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.153 4.366 -4.769 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.336 2.606 -1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.775 3.577 -6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.163 2.199 -3.313 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.490 2.658 -5.613 1.00 0.00 H new ATOM 558 N GLU A 35 6.758 1.674 -0.787 1.00 0.00 N ATOM 559 CA GLU A 35 7.660 1.034 -1.730 1.00 0.00 C ATOM 560 C GLU A 35 7.878 -0.431 -1.344 1.00 0.00 C ATOM 561 O GLU A 35 7.996 -1.294 -2.212 1.00 0.00 O ATOM 562 CB GLU A 35 8.992 1.783 -1.810 1.00 0.00 C ATOM 563 CG GLU A 35 10.149 0.818 -2.073 1.00 0.00 C ATOM 564 CD GLU A 35 11.469 1.574 -2.230 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.789 2.356 -1.309 1.00 0.00 O ATOM 566 OE2 GLU A 35 12.129 1.354 -3.269 1.00 0.00 O ATOM 0 H GLU A 35 7.216 2.263 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 35 7.203 1.066 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.947 2.528 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.167 2.321 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.229 0.107 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.947 0.240 -2.975 1.00 0.00 H new ATOM 573 N GLU A 36 7.924 -0.667 -0.041 1.00 0.00 N ATOM 574 CA GLU A 36 8.126 -2.012 0.470 1.00 0.00 C ATOM 575 C GLU A 36 6.795 -2.764 0.523 1.00 0.00 C ATOM 576 O GLU A 36 6.772 -3.994 0.505 1.00 0.00 O ATOM 577 CB GLU A 36 8.794 -1.981 1.846 1.00 0.00 C ATOM 578 CG GLU A 36 9.697 -0.755 1.990 1.00 0.00 C ATOM 579 CD GLU A 36 10.992 -1.110 2.724 1.00 0.00 C ATOM 580 OE1 GLU A 36 10.902 -1.367 3.944 1.00 0.00 O ATOM 581 OE2 GLU A 36 12.043 -1.118 2.047 1.00 0.00 O ATOM 0 H GLU A 36 7.825 0.051 0.677 1.00 0.00 H new ATOM 0 HA GLU A 36 8.794 -2.542 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.031 -1.968 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.381 -2.888 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.932 -0.354 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.169 0.028 2.535 1.00 0.00 H new ATOM 588 N LEU A 37 5.719 -1.994 0.587 1.00 0.00 N ATOM 589 CA LEU A 37 4.387 -2.572 0.642 1.00 0.00 C ATOM 590 C LEU A 37 4.012 -3.113 -0.739 1.00 0.00 C ATOM 591 O LEU A 37 3.711 -4.297 -0.885 1.00 0.00 O ATOM 592 CB LEU A 37 3.385 -1.558 1.197 1.00 0.00 C ATOM 593 CG LEU A 37 2.218 -1.194 0.277 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.431 -2.441 -0.129 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.321 -0.135 0.920 1.00 0.00 C ATOM 0 H LEU A 37 5.742 -0.974 0.602 1.00 0.00 H new ATOM 0 HA LEU A 37 4.367 -3.416 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.978 -1.952 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.924 -0.644 1.446 1.00 0.00 H new ATOM 0 HG LEU A 37 2.626 -0.759 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.607 -2.154 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.090 -3.131 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.035 -2.927 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.500 0.105 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.919 -0.519 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.904 0.765 1.117 1.00 0.00 H new ATOM 607 N LYS A 38 4.043 -2.221 -1.717 1.00 0.00 N ATOM 608 CA LYS A 38 3.711 -2.594 -3.082 1.00 0.00 C ATOM 609 C LYS A 38 4.547 -3.808 -3.492 1.00 0.00 C ATOM 610 O LYS A 38 4.099 -4.638 -4.281 1.00 0.00 O ATOM 611 CB LYS A 38 3.867 -1.395 -4.018 1.00 0.00 C ATOM 612 CG LYS A 38 3.743 -1.822 -5.482 1.00 0.00 C ATOM 613 CD LYS A 38 4.722 -1.046 -6.365 1.00 0.00 C ATOM 614 CE LYS A 38 4.359 0.441 -6.410 1.00 0.00 C ATOM 615 NZ LYS A 38 3.366 0.699 -7.476 1.00 0.00 N ATOM 0 H LYS A 38 4.293 -1.240 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 38 2.664 -2.889 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.107 -0.648 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.836 -0.925 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.937 -2.891 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.723 -1.653 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.736 -1.165 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.712 -1.457 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.956 0.753 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.255 1.035 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.130 1.712 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.764 0.420 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.505 0.147 -7.289 1.00 0.00 H new ATOM 629 N LYS A 39 5.749 -3.873 -2.938 1.00 0.00 N ATOM 630 CA LYS A 39 6.653 -4.971 -3.236 1.00 0.00 C ATOM 631 C LYS A 39 6.139 -6.246 -2.564 1.00 0.00 C ATOM 632 O LYS A 39 6.437 -7.352 -3.013 1.00 0.00 O ATOM 633 CB LYS A 39 8.086 -4.606 -2.846 1.00 0.00 C ATOM 634 CG LYS A 39 9.088 -5.589 -3.456 1.00 0.00 C ATOM 635 CD LYS A 39 10.495 -5.351 -2.906 1.00 0.00 C ATOM 636 CE LYS A 39 11.408 -6.543 -3.201 1.00 0.00 C ATOM 637 NZ LYS A 39 11.450 -7.463 -2.043 1.00 0.00 N ATOM 0 H LYS A 39 6.118 -3.183 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 39 6.678 -5.163 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.312 -3.595 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.183 -4.609 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.777 -6.611 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.095 -5.481 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.915 -4.448 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.445 -5.184 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.049 -7.074 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.414 -6.190 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.074 -8.266 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.814 -6.957 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.491 -7.814 -1.843 1.00 0.00 H new ATOM 651 N LYS A 40 5.373 -6.049 -1.501 1.00 0.00 N ATOM 652 CA LYS A 40 4.815 -7.169 -0.762 1.00 0.00 C ATOM 653 C LYS A 40 3.564 -7.675 -1.482 1.00 0.00 C ATOM 654 O LYS A 40 3.362 -8.880 -1.612 1.00 0.00 O ATOM 655 CB LYS A 40 4.571 -6.780 0.697 1.00 0.00 C ATOM 656 CG LYS A 40 5.668 -7.339 1.605 1.00 0.00 C ATOM 657 CD LYS A 40 5.863 -6.455 2.838 1.00 0.00 C ATOM 658 CE LYS A 40 6.274 -7.290 4.052 1.00 0.00 C ATOM 659 NZ LYS A 40 7.439 -6.680 4.730 1.00 0.00 N ATOM 0 H LYS A 40 5.126 -5.130 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 40 5.523 -7.997 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.538 -5.694 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.600 -7.156 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.407 -8.351 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.604 -7.407 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.626 -5.703 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.939 -5.920 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.439 -7.365 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.519 -8.304 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.705 -7.259 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.239 -6.630 4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.193 -5.721 5.048 1.00 0.00 H new ATOM 673 N ILE A 41 2.755 -6.726 -1.932 1.00 0.00 N ATOM 674 CA ILE A 41 1.527 -7.060 -2.635 1.00 0.00 C ATOM 675 C ILE A 41 1.874 -7.760 -3.951 1.00 0.00 C ATOM 676 O ILE A 41 1.020 -8.402 -4.560 1.00 0.00 O ATOM 677 CB ILE A 41 0.654 -5.816 -2.810 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.561 -5.023 -1.505 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.726 -6.187 -3.355 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.599 -4.027 -1.550 1.00 0.00 C ATOM 0 H ILE A 41 2.926 -5.726 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 41 0.930 -7.759 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 41 1.127 -5.168 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.425 -5.708 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.496 -4.490 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.326 -5.285 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.616 -6.675 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.221 -6.866 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.643 -3.477 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.447 -3.329 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.535 -4.565 -1.699 1.00 0.00 H new ATOM 692 N GLU A 42 3.128 -7.610 -4.352 1.00 0.00 N ATOM 693 CA GLU A 42 3.597 -8.219 -5.584 1.00 0.00 C ATOM 694 C GLU A 42 3.887 -9.704 -5.365 1.00 0.00 C ATOM 695 O GLU A 42 3.368 -10.554 -6.088 1.00 0.00 O ATOM 696 CB GLU A 42 4.832 -7.492 -6.119 1.00 0.00 C ATOM 697 CG GLU A 42 4.479 -6.625 -7.330 1.00 0.00 C ATOM 698 CD GLU A 42 5.121 -7.176 -8.604 1.00 0.00 C ATOM 699 OE1 GLU A 42 4.535 -8.123 -9.171 1.00 0.00 O ATOM 700 OE2 GLU A 42 6.183 -6.636 -8.984 1.00 0.00 O ATOM 0 H GLU A 42 3.833 -7.075 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 42 2.810 -8.129 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.260 -6.869 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.594 -8.220 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.396 -6.587 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.817 -5.603 -7.161 1.00 0.00 H new ATOM 707 N GLU A 43 4.715 -9.973 -4.367 1.00 0.00 N ATOM 708 CA GLU A 43 5.081 -11.341 -4.044 1.00 0.00 C ATOM 709 C GLU A 43 3.929 -12.041 -3.317 1.00 0.00 C ATOM 710 O GLU A 43 3.994 -13.241 -3.056 1.00 0.00 O ATOM 711 CB GLU A 43 6.363 -11.385 -3.209 1.00 0.00 C ATOM 712 CG GLU A 43 7.402 -12.305 -3.850 1.00 0.00 C ATOM 713 CD GLU A 43 8.748 -12.197 -3.130 1.00 0.00 C ATOM 714 OE1 GLU A 43 8.824 -12.704 -1.990 1.00 0.00 O ATOM 715 OE2 GLU A 43 9.670 -11.609 -3.736 1.00 0.00 O ATOM 0 H GLU A 43 5.144 -9.265 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 43 5.275 -11.873 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.773 -10.380 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.134 -11.735 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.050 -13.336 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.526 -12.044 -4.901 1.00 0.00 H new ATOM 722 N LEU A 44 2.904 -11.260 -3.012 1.00 0.00 N ATOM 723 CA LEU A 44 1.740 -11.789 -2.320 1.00 0.00 C ATOM 724 C LEU A 44 1.390 -13.162 -2.897 1.00 0.00 C ATOM 725 O LEU A 44 0.888 -13.259 -4.015 1.00 0.00 O ATOM 726 CB LEU A 44 0.585 -10.788 -2.372 1.00 0.00 C ATOM 727 CG LEU A 44 0.323 -9.998 -1.088 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.883 -9.072 -1.250 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.168 -10.937 0.110 1.00 0.00 C ATOM 0 H LEU A 44 2.855 -10.265 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 44 1.959 -11.933 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.780 -10.080 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.325 -11.327 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 44 1.189 -9.366 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.047 -8.523 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.695 -8.368 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.768 -9.664 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.017 -10.351 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.670 -11.612 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.081 -11.518 0.237 1.00 0.00 H new ATOM 769 N GLU A 49 0.791 -14.041 4.073 1.00 0.00 N ATOM 770 CA GLU A 49 0.984 -13.068 5.136 1.00 0.00 C ATOM 771 C GLU A 49 0.499 -11.688 4.686 1.00 0.00 C ATOM 772 O GLU A 49 1.140 -10.678 4.972 1.00 0.00 O ATOM 773 CB GLU A 49 2.448 -13.019 5.574 1.00 0.00 C ATOM 774 CG GLU A 49 2.734 -14.067 6.652 1.00 0.00 C ATOM 775 CD GLU A 49 4.223 -14.410 6.703 1.00 0.00 C ATOM 776 OE1 GLU A 49 5.015 -13.469 6.930 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.538 -15.605 6.515 1.00 0.00 O ATOM 0 HA GLU A 49 0.392 -13.377 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.095 -13.192 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.684 -12.026 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.410 -13.692 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.156 -14.969 6.449 1.00 0.00 H new ATOM 784 N VAL A 50 -0.628 -11.690 3.990 1.00 0.00 N ATOM 785 CA VAL A 50 -1.206 -10.451 3.498 1.00 0.00 C ATOM 786 C VAL A 50 -1.479 -9.517 4.679 1.00 0.00 C ATOM 787 O VAL A 50 -1.366 -8.299 4.550 1.00 0.00 O ATOM 788 CB VAL A 50 -2.457 -10.749 2.670 1.00 0.00 C ATOM 789 CG1 VAL A 50 -2.994 -9.478 2.010 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.180 -11.834 1.627 1.00 0.00 C ATOM 0 H VAL A 50 -1.157 -12.530 3.755 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.508 -9.941 2.834 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.224 -11.124 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.883 -9.718 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.250 -8.749 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.232 -9.060 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.086 -12.026 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.389 -11.500 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.867 -12.750 2.129 1.00 0.00 H new ATOM 800 N LYS A 51 -1.834 -10.123 5.802 1.00 0.00 N ATOM 801 CA LYS A 51 -2.123 -9.361 7.004 1.00 0.00 C ATOM 802 C LYS A 51 -1.151 -8.183 7.104 1.00 0.00 C ATOM 803 O LYS A 51 -1.499 -7.130 7.635 1.00 0.00 O ATOM 804 CB LYS A 51 -2.111 -10.273 8.233 1.00 0.00 C ATOM 805 CG LYS A 51 -3.445 -11.007 8.384 1.00 0.00 C ATOM 806 CD LYS A 51 -3.285 -12.262 9.244 1.00 0.00 C ATOM 807 CE LYS A 51 -4.646 -12.781 9.714 1.00 0.00 C ATOM 808 NZ LYS A 51 -4.488 -13.642 10.907 1.00 0.00 N ATOM 0 H LYS A 51 -1.928 -11.133 5.905 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.128 -8.942 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.301 -10.997 8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.914 -9.682 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.181 -10.343 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.827 -11.282 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.774 -13.037 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.659 -12.038 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.301 -11.942 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.124 -13.344 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.421 -13.986 11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.880 -14.453 10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.052 -13.094 11.676 1.00 0.00 H new ATOM 822 N LYS A 52 0.048 -8.401 6.583 1.00 0.00 N ATOM 823 CA LYS A 52 1.072 -7.371 6.606 1.00 0.00 C ATOM 824 C LYS A 52 0.751 -6.315 5.547 1.00 0.00 C ATOM 825 O LYS A 52 0.606 -5.136 5.865 1.00 0.00 O ATOM 826 CB LYS A 52 2.462 -7.994 6.453 1.00 0.00 C ATOM 827 CG LYS A 52 3.186 -8.056 7.798 1.00 0.00 C ATOM 828 CD LYS A 52 3.748 -9.456 8.054 1.00 0.00 C ATOM 829 CE LYS A 52 4.014 -9.677 9.545 1.00 0.00 C ATOM 830 NZ LYS A 52 2.744 -9.665 10.305 1.00 0.00 N ATOM 0 H LYS A 52 0.333 -9.276 6.143 1.00 0.00 H new ATOM 0 HA LYS A 52 1.080 -6.863 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.371 -8.998 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.051 -7.409 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.996 -7.327 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.498 -7.785 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.045 -10.206 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.673 -9.589 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.524 -10.629 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.677 -8.898 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.849 -10.239 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.506 -8.687 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.983 -10.060 9.716 1.00 0.00 H new ATOM 844 N VAL A 53 0.651 -6.776 4.309 1.00 0.00 N ATOM 845 CA VAL A 53 0.350 -5.885 3.201 1.00 0.00 C ATOM 846 C VAL A 53 -0.708 -4.872 3.640 1.00 0.00 C ATOM 847 O VAL A 53 -0.417 -3.685 3.777 1.00 0.00 O ATOM 848 CB VAL A 53 -0.074 -6.699 1.976 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.104 -5.935 1.141 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.140 -7.087 1.129 1.00 0.00 C ATOM 0 H VAL A 53 0.773 -7.755 4.049 1.00 0.00 H new ATOM 0 HA VAL A 53 1.238 -5.323 2.911 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.543 -7.617 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.389 -6.535 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.986 -5.732 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.672 -4.993 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.811 -7.665 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.650 -6.185 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.824 -7.688 1.728 1.00 0.00 H new ATOM 860 N GLU A 54 -1.916 -5.377 3.849 1.00 0.00 N ATOM 861 CA GLU A 54 -3.019 -4.530 4.270 1.00 0.00 C ATOM 862 C GLU A 54 -2.554 -3.549 5.348 1.00 0.00 C ATOM 863 O GLU A 54 -2.583 -2.336 5.142 1.00 0.00 O ATOM 864 CB GLU A 54 -4.197 -5.371 4.765 1.00 0.00 C ATOM 865 CG GLU A 54 -4.470 -6.543 3.820 1.00 0.00 C ATOM 866 CD GLU A 54 -5.962 -6.646 3.492 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.413 -5.846 2.645 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.616 -7.524 4.096 1.00 0.00 O ATOM 0 H GLU A 54 -2.154 -6.362 3.734 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.361 -3.957 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.984 -5.748 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.087 -4.747 4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.900 -6.414 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.130 -7.472 4.278 1.00 0.00 H new ATOM 875 N GLU A 55 -2.135 -4.110 6.472 1.00 0.00 N ATOM 876 CA GLU A 55 -1.665 -3.300 7.583 1.00 0.00 C ATOM 877 C GLU A 55 -0.684 -2.236 7.085 1.00 0.00 C ATOM 878 O GLU A 55 -0.613 -1.141 7.643 1.00 0.00 O ATOM 879 CB GLU A 55 -1.025 -4.172 8.665 1.00 0.00 C ATOM 880 CG GLU A 55 -1.966 -4.339 9.860 1.00 0.00 C ATOM 881 CD GLU A 55 -2.205 -3.001 10.562 1.00 0.00 C ATOM 882 OE1 GLU A 55 -1.216 -2.249 10.702 1.00 0.00 O ATOM 883 OE2 GLU A 55 -3.370 -2.760 10.945 1.00 0.00 O ATOM 0 H GLU A 55 -2.111 -5.116 6.638 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.523 -2.796 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.779 -5.150 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.089 -3.721 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.917 -4.752 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.540 -5.053 10.565 1.00 0.00 H new ATOM 890 N GLU A 56 0.050 -2.595 6.042 1.00 0.00 N ATOM 891 CA GLU A 56 1.024 -1.685 5.463 1.00 0.00 C ATOM 892 C GLU A 56 0.315 -0.571 4.690 1.00 0.00 C ATOM 893 O GLU A 56 0.669 0.600 4.818 1.00 0.00 O ATOM 894 CB GLU A 56 2.008 -2.436 4.564 1.00 0.00 C ATOM 895 CG GLU A 56 3.348 -1.700 4.485 1.00 0.00 C ATOM 896 CD GLU A 56 3.901 -1.418 5.884 1.00 0.00 C ATOM 897 OE1 GLU A 56 4.427 -2.374 6.491 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.785 -0.249 6.314 1.00 0.00 O ATOM 0 H GLU A 56 -0.010 -3.504 5.583 1.00 0.00 H new ATOM 0 HA GLU A 56 1.596 -1.231 6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.164 -3.443 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.586 -2.540 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.063 -2.299 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.221 -0.762 3.944 1.00 0.00 H new ATOM 905 N VAL A 57 -0.673 -0.975 3.905 1.00 0.00 N ATOM 906 CA VAL A 57 -1.434 -0.025 3.111 1.00 0.00 C ATOM 907 C VAL A 57 -2.266 0.859 4.043 1.00 0.00 C ATOM 908 O VAL A 57 -2.653 1.966 3.671 1.00 0.00 O ATOM 909 CB VAL A 57 -2.282 -0.769 2.078 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.680 0.158 0.927 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.550 -2.006 1.556 1.00 0.00 C ATOM 0 H VAL A 57 -0.964 -1.947 3.802 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.765 0.630 2.552 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.195 -1.103 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.282 -0.395 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.259 0.995 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.783 0.535 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.175 -2.516 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.614 -1.704 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.339 -2.681 2.386 1.00 0.00 H new ATOM 921 N LYS A 58 -2.517 0.338 5.235 1.00 0.00 N ATOM 922 CA LYS A 58 -3.296 1.066 6.221 1.00 0.00 C ATOM 923 C LYS A 58 -2.507 2.291 6.685 1.00 0.00 C ATOM 924 O LYS A 58 -3.000 3.416 6.613 1.00 0.00 O ATOM 925 CB LYS A 58 -3.718 0.138 7.362 1.00 0.00 C ATOM 926 CG LYS A 58 -5.049 0.586 7.971 1.00 0.00 C ATOM 927 CD LYS A 58 -6.144 -0.452 7.717 1.00 0.00 C ATOM 928 CE LYS A 58 -7.423 0.215 7.205 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.469 -0.799 6.948 1.00 0.00 N ATOM 0 H LYS A 58 -2.194 -0.580 5.540 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.223 1.432 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.809 -0.883 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.947 0.129 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.929 0.739 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.345 1.544 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.795 -1.184 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.356 -0.995 8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.781 0.938 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.211 0.767 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.330 -0.330 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.130 -1.473 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.683 -1.308 7.829 1.00 0.00 H new ATOM 943 N LYS A 59 -1.294 2.032 7.150 1.00 0.00 N ATOM 944 CA LYS A 59 -0.431 3.101 7.626 1.00 0.00 C ATOM 945 C LYS A 59 -0.524 4.291 6.669 1.00 0.00 C ATOM 946 O LYS A 59 -0.435 5.442 7.092 1.00 0.00 O ATOM 947 CB LYS A 59 0.995 2.587 7.829 1.00 0.00 C ATOM 948 CG LYS A 59 1.846 3.613 8.582 1.00 0.00 C ATOM 949 CD LYS A 59 3.338 3.318 8.413 1.00 0.00 C ATOM 950 CE LYS A 59 4.137 4.612 8.246 1.00 0.00 C ATOM 951 NZ LYS A 59 4.145 5.382 9.509 1.00 0.00 N ATOM 0 H LYS A 59 -0.888 1.098 7.208 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.763 3.451 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.972 1.650 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.449 2.372 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.626 4.615 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.587 3.599 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.704 2.769 9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.490 2.678 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.159 4.379 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.702 5.215 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.048 5.891 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.361 6.066 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.032 4.732 10.313 1.00 0.00 H new ATOM 965 N LEU A 60 -0.705 3.973 5.395 1.00 0.00 N ATOM 966 CA LEU A 60 -0.812 5.001 4.374 1.00 0.00 C ATOM 967 C LEU A 60 -2.177 5.682 4.485 1.00 0.00 C ATOM 968 O LEU A 60 -2.269 6.825 4.930 1.00 0.00 O ATOM 969 CB LEU A 60 -0.529 4.413 2.990 1.00 0.00 C ATOM 970 CG LEU A 60 0.931 4.451 2.531 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.409 3.061 2.107 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.130 5.489 1.424 1.00 0.00 C ATOM 0 H LEU A 60 -0.780 3.017 5.047 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.057 5.772 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.865 3.376 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.133 4.950 2.259 1.00 0.00 H new ATOM 0 HG LEU A 60 1.547 4.759 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.449 3.116 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.326 2.375 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.793 2.700 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.175 5.496 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.502 5.235 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.855 6.476 1.797 1.00 0.00 H new ATOM 984 N GLU A 61 -3.203 4.953 4.072 1.00 0.00 N ATOM 985 CA GLU A 61 -4.559 5.473 4.119 1.00 0.00 C ATOM 986 C GLU A 61 -4.754 6.332 5.371 1.00 0.00 C ATOM 987 O GLU A 61 -5.356 7.403 5.305 1.00 0.00 O ATOM 988 CB GLU A 61 -5.584 4.339 4.068 1.00 0.00 C ATOM 989 CG GLU A 61 -5.911 3.960 2.621 1.00 0.00 C ATOM 990 CD GLU A 61 -7.382 4.232 2.303 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.222 3.885 3.160 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.634 4.780 1.207 1.00 0.00 O ATOM 0 H GLU A 61 -3.123 4.006 3.703 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.717 6.101 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.195 3.469 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.495 4.644 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.277 4.528 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.689 2.905 2.458 1.00 0.00 H new ATOM 999 N GLU A 62 -4.234 5.830 6.481 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.344 6.538 7.745 1.00 0.00 C ATOM 1001 C GLU A 62 -3.595 7.870 7.675 1.00 0.00 C ATOM 1002 O GLU A 62 -4.207 8.935 7.739 1.00 0.00 O ATOM 1003 CB GLU A 62 -3.827 5.680 8.901 1.00 0.00 C ATOM 1004 CG GLU A 62 -4.977 5.222 9.801 1.00 0.00 C ATOM 1005 CD GLU A 62 -4.573 5.273 11.276 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -3.556 4.626 11.608 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.289 5.958 12.037 1.00 0.00 O ATOM 0 H GLU A 62 -3.735 4.942 6.531 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.398 6.745 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.301 4.811 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.106 6.250 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.847 5.857 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.269 4.206 9.535 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.281 7.767 7.543 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.442 8.951 7.463 1.00 0.00 C ATOM 1016 C GLU A 63 -1.923 9.868 6.337 1.00 0.00 C ATOM 1017 O GLU A 63 -2.145 11.058 6.553 1.00 0.00 O ATOM 1018 CB GLU A 63 0.028 8.570 7.268 1.00 0.00 C ATOM 1019 CG GLU A 63 0.934 9.400 8.179 1.00 0.00 C ATOM 1020 CD GLU A 63 0.954 8.832 9.599 1.00 0.00 C ATOM 1021 OE1 GLU A 63 1.446 7.692 9.748 1.00 0.00 O ATOM 1022 OE2 GLU A 63 0.476 9.549 10.504 1.00 0.00 O ATOM 0 H GLU A 63 -1.776 6.882 7.489 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.522 9.492 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.164 7.510 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.313 8.725 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.946 9.414 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.585 10.432 8.202 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.072 9.279 5.159 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.524 10.028 3.999 1.00 0.00 C ATOM 1031 C ILE A 64 -3.793 10.802 4.359 1.00 0.00 C ATOM 1032 O ILE A 64 -3.889 12.000 4.098 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.690 9.100 2.795 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.385 8.363 2.483 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -3.219 9.867 1.581 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.331 7.941 1.014 1.00 0.00 C ATOM 0 H ILE A 64 -1.888 8.291 4.983 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.775 10.764 3.705 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.433 8.344 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.536 9.007 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.298 7.484 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.328 9.184 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.188 10.305 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.518 10.659 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.394 7.420 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.168 7.277 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.393 8.825 0.379 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.735 10.086 4.955 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.995 10.691 5.354 1.00 0.00 C ATOM 1050 C LYS A 65 -5.715 11.873 6.285 1.00 0.00 C ATOM 1051 O LYS A 65 -6.558 12.754 6.445 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.927 9.638 5.958 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.672 8.872 4.864 1.00 0.00 C ATOM 1054 CD LYS A 65 -8.432 7.681 5.450 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.842 7.587 4.861 1.00 0.00 C ATOM 1056 NZ LYS A 65 -10.416 6.244 5.105 1.00 0.00 N ATOM 0 H LYS A 65 -4.651 9.093 5.171 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.521 11.087 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.349 8.941 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.644 10.120 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.369 9.540 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.964 8.522 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.886 6.760 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.493 7.781 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.481 8.349 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.809 7.786 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.372 6.196 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.814 5.523 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.465 6.068 6.129 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.529 11.853 6.875 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.128 12.911 7.785 1.00 0.00 C ATOM 1072 C LYS A 66 -3.308 13.954 7.020 1.00 0.00 C ATOM 1073 O LYS A 66 -3.395 15.147 7.302 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.402 12.329 8.999 1.00 0.00 C ATOM 1075 CG LYS A 66 -3.938 12.931 10.299 1.00 0.00 C ATOM 1076 CD LYS A 66 -2.793 13.414 11.192 1.00 0.00 C ATOM 1077 CE LYS A 66 -3.328 14.045 12.478 1.00 0.00 C ATOM 1078 NZ LYS A 66 -2.228 14.664 13.250 1.00 0.00 N ATOM 0 H LYS A 66 -3.833 11.120 6.740 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.005 13.422 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.527 11.246 9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.333 12.526 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.603 13.764 10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.530 12.187 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.141 12.576 11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.187 14.141 10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.078 14.798 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.823 13.286 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.610 15.087 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.526 13.938 13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.774 15.403 12.676 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.529 13.463 6.067 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.694 14.335 5.260 1.00 0.00 C ATOM 1094 C LEU A 67 -2.580 15.329 4.507 1.00 0.00 C ATOM 1095 O LEU A 67 -2.543 15.393 3.280 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.782 13.511 4.348 1.00 0.00 C ATOM 1097 CG LEU A 67 0.227 12.602 5.053 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.601 11.410 4.170 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.459 13.393 5.500 1.00 0.00 C ATOM 0 H LEU A 67 -2.459 12.472 5.836 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.028 14.919 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.408 12.894 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.234 14.196 3.701 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.243 12.202 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.319 10.780 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.294 10.830 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.044 11.770 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.160 12.723 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.940 13.840 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.155 14.180 6.191 1.00 0.00 H new