USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= -3.23 (180deg=-3.33) USER MOD Single : A 12 LYS NZ :NH3+ 143:sc= -1.39 (180deg=-3.84!) USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= -1.32! (180deg=-3.14!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 0.965 (180deg=-0.851) 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 123:sc= -8.37! USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= 0.685 (180deg=0.377) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0115 (180deg=-0.162) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.172) USER MOD Single : A 52 LYS NZ :NH3+ -114:sc= 0.00248 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.102) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -15.993 -5.035 7.004 1.00 0.00 N ATOM 11 CA SER A 2 -16.676 -4.336 5.920 1.00 0.00 C ATOM 12 C SER A 2 -15.912 -3.080 5.514 1.00 0.00 C ATOM 13 O SER A 2 -15.671 -2.842 4.331 1.00 0.00 O ATOM 14 CB SER A 2 -18.099 -3.967 6.339 1.00 0.00 C ATOM 15 OG SER A 2 -18.786 -3.310 5.288 1.00 0.00 O ATOM 0 HA SER A 2 -16.719 -5.006 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.642 -4.868 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.067 -3.321 7.216 1.00 0.00 H new ATOM 0 HG SER A 2 -19.694 -3.086 5.581 1.00 0.00 H new ATOM 21 N ARG A 3 -15.534 -2.277 6.505 1.00 0.00 N ATOM 22 CA ARG A 3 -14.799 -1.044 6.249 1.00 0.00 C ATOM 23 C ARG A 3 -13.304 -1.318 6.121 1.00 0.00 C ATOM 24 O ARG A 3 -12.617 -0.697 5.310 1.00 0.00 O ATOM 25 CB ARG A 3 -15.053 -0.031 7.367 1.00 0.00 C ATOM 26 CG ARG A 3 -14.654 -0.531 8.747 1.00 0.00 C ATOM 27 CD ARG A 3 -13.345 0.089 9.211 1.00 0.00 C ATOM 28 NE ARG A 3 -13.561 1.195 10.142 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.561 2.482 9.791 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.357 2.839 8.528 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.765 3.416 10.708 1.00 0.00 N ATOM 0 H ARG A 3 -15.725 -2.458 7.490 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.154 -0.628 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.502 0.884 7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.112 0.229 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.442 -0.295 9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.556 -1.616 8.727 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.733 -0.674 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.787 0.447 8.346 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.722 0.968 11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.198 2.126 7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.359 3.826 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.922 3.151 11.680 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.765 4.401 10.442 1.00 0.00 H new ATOM 45 N VAL A 4 -12.806 -2.255 6.922 1.00 0.00 N ATOM 46 CA VAL A 4 -11.393 -2.612 6.892 1.00 0.00 C ATOM 47 C VAL A 4 -11.053 -3.389 5.625 1.00 0.00 C ATOM 48 O VAL A 4 -10.048 -3.116 4.970 1.00 0.00 O ATOM 49 CB VAL A 4 -11.000 -3.457 8.118 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.493 -3.650 8.174 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.510 -2.812 9.397 1.00 0.00 C ATOM 0 H VAL A 4 -13.360 -2.780 7.599 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.830 -1.679 6.908 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.465 -4.438 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.235 -4.249 9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.158 -4.161 7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.004 -2.678 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.223 -3.423 10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.077 -1.817 9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.596 -2.733 9.356 1.00 0.00 H new ATOM 61 N LYS A 5 -11.900 -4.356 5.282 1.00 0.00 N ATOM 62 CA LYS A 5 -11.686 -5.166 4.087 1.00 0.00 C ATOM 63 C LYS A 5 -11.629 -4.282 2.847 1.00 0.00 C ATOM 64 O LYS A 5 -10.775 -4.467 1.984 1.00 0.00 O ATOM 65 CB LYS A 5 -12.795 -6.212 3.940 1.00 0.00 C ATOM 66 CG LYS A 5 -12.803 -6.912 2.588 1.00 0.00 C ATOM 67 CD LYS A 5 -11.433 -7.469 2.237 1.00 0.00 C ATOM 68 CE LYS A 5 -11.537 -8.839 1.588 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.196 -9.426 1.311 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.737 -4.597 5.812 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.732 -5.683 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.683 -6.960 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.760 -5.729 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.533 -7.722 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.119 -6.210 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.923 -6.783 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.825 -7.538 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.098 -9.508 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.097 -8.758 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.311 -10.360 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.669 -8.801 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.671 -9.528 2.203 1.00 0.00 H new ATOM 83 N ALA A 6 -12.534 -3.315 2.773 1.00 0.00 N ATOM 84 CA ALA A 6 -12.575 -2.395 1.644 1.00 0.00 C ATOM 85 C ALA A 6 -11.234 -1.689 1.494 1.00 0.00 C ATOM 86 O ALA A 6 -10.779 -1.416 0.385 1.00 0.00 O ATOM 87 CB ALA A 6 -13.696 -1.383 1.826 1.00 0.00 C ATOM 0 H ALA A 6 -13.249 -3.147 3.481 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.771 -2.963 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.714 -0.703 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.650 -1.905 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.528 -0.815 2.741 1.00 0.00 H new ATOM 93 N LEU A 7 -10.608 -1.407 2.631 1.00 0.00 N ATOM 94 CA LEU A 7 -9.311 -0.742 2.659 1.00 0.00 C ATOM 95 C LEU A 7 -8.273 -1.554 1.892 1.00 0.00 C ATOM 96 O LEU A 7 -7.447 -1.004 1.167 1.00 0.00 O ATOM 97 CB LEU A 7 -8.861 -0.569 4.108 1.00 0.00 C ATOM 98 CG LEU A 7 -8.166 0.751 4.427 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.805 0.817 3.750 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.033 1.927 4.005 1.00 0.00 C ATOM 0 H LEU A 7 -10.982 -1.631 3.553 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.407 0.234 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.733 -0.666 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.185 -1.386 4.360 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.014 0.807 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.325 1.766 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.182 -0.004 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.931 0.737 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.521 2.860 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.218 1.876 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.982 1.889 4.539 1.00 0.00 H new ATOM 112 N GLU A 8 -8.320 -2.867 2.073 1.00 0.00 N ATOM 113 CA GLU A 8 -7.387 -3.774 1.412 1.00 0.00 C ATOM 114 C GLU A 8 -7.577 -3.768 -0.106 1.00 0.00 C ATOM 115 O GLU A 8 -6.627 -3.971 -0.860 1.00 0.00 O ATOM 116 CB GLU A 8 -7.550 -5.196 1.971 1.00 0.00 C ATOM 117 CG GLU A 8 -8.527 -6.069 1.194 1.00 0.00 C ATOM 118 CD GLU A 8 -7.857 -6.837 0.072 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.334 -7.940 0.337 1.00 0.00 O ATOM 120 OE2 GLU A 8 -7.855 -6.336 -1.071 1.00 0.00 O1- ATOM 0 H GLU A 8 -8.999 -3.332 2.676 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.375 -3.425 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.575 -5.683 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.884 -5.130 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.003 -6.772 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.317 -5.443 0.780 1.00 0.00 H new ATOM 127 N GLU A 9 -8.814 -3.554 -0.545 1.00 0.00 N ATOM 128 CA GLU A 9 -9.134 -3.545 -1.971 1.00 0.00 C ATOM 129 C GLU A 9 -8.492 -2.362 -2.696 1.00 0.00 C ATOM 130 O GLU A 9 -8.060 -2.490 -3.840 1.00 0.00 O ATOM 131 CB GLU A 9 -10.651 -3.510 -2.168 1.00 0.00 C ATOM 132 CG GLU A 9 -11.280 -4.889 -2.292 1.00 0.00 C ATOM 133 CD GLU A 9 -11.746 -5.193 -3.703 1.00 0.00 C ATOM 134 OE1 GLU A 9 -10.895 -5.233 -4.614 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -12.965 -5.390 -3.895 1.00 0.00 O ATOM 0 H GLU A 9 -9.613 -3.384 0.066 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.726 -4.459 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.106 -2.986 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.880 -2.933 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.557 -5.643 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.127 -4.960 -1.610 1.00 0.00 H new ATOM 142 N LYS A 10 -8.444 -1.211 -2.034 1.00 0.00 N ATOM 143 CA LYS A 10 -7.866 -0.009 -2.633 1.00 0.00 C ATOM 144 C LYS A 10 -6.346 -0.108 -2.734 1.00 0.00 C ATOM 145 O LYS A 10 -5.743 0.398 -3.680 1.00 0.00 O ATOM 146 CB LYS A 10 -8.259 1.232 -1.826 1.00 0.00 C ATOM 147 CG LYS A 10 -7.800 1.194 -0.378 1.00 0.00 C ATOM 148 CD LYS A 10 -7.525 2.591 0.156 1.00 0.00 C ATOM 149 CE LYS A 10 -6.285 3.196 -0.481 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.131 2.256 -0.454 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.797 -1.083 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.265 0.080 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.838 2.115 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.343 1.341 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.563 0.713 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.898 0.588 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.385 3.232 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.396 2.550 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.505 3.471 -1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.018 4.113 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.326 2.680 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.861 2.066 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.399 1.364 -0.918 1.00 0.00 H new ATOM 164 N VAL A 11 -5.733 -0.754 -1.750 1.00 0.00 N ATOM 165 CA VAL A 11 -4.282 -0.911 -1.720 1.00 0.00 C ATOM 166 C VAL A 11 -3.782 -1.751 -2.892 1.00 0.00 C ATOM 167 O VAL A 11 -2.728 -1.470 -3.463 1.00 0.00 O ATOM 168 CB VAL A 11 -3.826 -1.567 -0.402 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.308 -1.599 -0.311 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.424 -0.838 0.794 1.00 0.00 C ATOM 0 H VAL A 11 -6.218 -1.179 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.855 0.089 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.186 -2.596 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.010 -2.066 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.905 -2.172 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.920 -0.581 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.091 -1.316 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.098 0.202 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.512 -0.878 0.738 1.00 0.00 H new ATOM 180 N LYS A 12 -4.538 -2.786 -3.240 1.00 0.00 N ATOM 181 CA LYS A 12 -4.170 -3.673 -4.337 1.00 0.00 C ATOM 182 C LYS A 12 -4.283 -2.971 -5.677 1.00 0.00 C ATOM 183 O LYS A 12 -3.452 -3.163 -6.563 1.00 0.00 O ATOM 184 CB LYS A 12 -5.045 -4.924 -4.332 1.00 0.00 C ATOM 185 CG LYS A 12 -4.276 -6.197 -4.640 1.00 0.00 C ATOM 186 CD LYS A 12 -4.580 -7.280 -3.620 1.00 0.00 C ATOM 187 CE LYS A 12 -3.447 -8.287 -3.519 1.00 0.00 C ATOM 188 NZ LYS A 12 -2.122 -7.623 -3.359 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.413 -3.032 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.130 -3.964 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.521 -5.022 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.843 -4.804 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.536 -6.550 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.206 -5.987 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.751 -6.824 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.501 -7.794 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.625 -8.949 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.435 -8.910 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.529 -8.182 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.655 -7.553 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.257 -6.669 -2.967 1.00 0.00 H new ATOM 202 N ALA A 13 -5.317 -2.155 -5.822 1.00 0.00 N ATOM 203 CA ALA A 13 -5.526 -1.426 -7.063 1.00 0.00 C ATOM 204 C ALA A 13 -4.294 -0.597 -7.382 1.00 0.00 C ATOM 205 O ALA A 13 -3.898 -0.467 -8.540 1.00 0.00 O ATOM 206 CB ALA A 13 -6.758 -0.539 -6.960 1.00 0.00 C ATOM 0 H ALA A 13 -6.019 -1.982 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.691 -2.139 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.899 -0.001 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.634 -1.155 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.625 0.176 -6.148 1.00 0.00 H new ATOM 212 N LEU A 14 -3.672 -0.065 -6.336 1.00 0.00 N ATOM 213 CA LEU A 14 -2.457 0.721 -6.496 1.00 0.00 C ATOM 214 C LEU A 14 -1.294 -0.183 -6.889 1.00 0.00 C ATOM 215 O LEU A 14 -0.375 0.233 -7.586 1.00 0.00 O ATOM 216 CB LEU A 14 -2.127 1.473 -5.208 1.00 0.00 C ATOM 217 CG LEU A 14 -1.762 2.944 -5.407 1.00 0.00 C ATOM 218 CD1 LEU A 14 -2.240 3.777 -4.229 1.00 0.00 C ATOM 219 CD2 LEU A 14 -0.262 3.104 -5.600 1.00 0.00 C ATOM 0 H LEU A 14 -3.989 -0.164 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.622 1.451 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.984 1.412 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.297 0.970 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.263 3.301 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.971 4.821 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.323 3.691 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.769 3.417 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.024 4.158 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.260 2.728 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.054 2.541 -6.478 1.00 0.00 H new ATOM 231 N GLU A 15 -1.346 -1.425 -6.423 1.00 0.00 N ATOM 232 CA GLU A 15 -0.305 -2.406 -6.705 1.00 0.00 C ATOM 233 C GLU A 15 -0.053 -2.546 -8.204 1.00 0.00 C ATOM 234 O GLU A 15 1.084 -2.709 -8.640 1.00 0.00 O ATOM 235 CB GLU A 15 -0.707 -3.762 -6.124 1.00 0.00 C ATOM 236 CG GLU A 15 0.436 -4.754 -6.060 1.00 0.00 C ATOM 237 CD GLU A 15 0.030 -6.146 -6.502 1.00 0.00 C ATOM 238 OE1 GLU A 15 -1.152 -6.504 -6.322 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.895 -6.877 -7.029 1.00 0.00 O ATOM 0 H GLU A 15 -2.106 -1.779 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 15 0.618 -2.059 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.106 -3.615 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.510 -4.184 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.253 -4.401 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.816 -4.798 -5.039 1.00 0.00 H new ATOM 246 N GLU A 16 -1.127 -2.497 -8.977 1.00 0.00 N ATOM 247 CA GLU A 16 -1.051 -2.631 -10.430 1.00 0.00 C ATOM 248 C GLU A 16 -0.316 -1.455 -11.059 1.00 0.00 C ATOM 249 O GLU A 16 0.349 -1.605 -12.081 1.00 0.00 O ATOM 250 CB GLU A 16 -2.454 -2.761 -11.031 1.00 0.00 C ATOM 251 CG GLU A 16 -3.267 -1.475 -10.986 1.00 0.00 C ATOM 252 CD GLU A 16 -3.548 -0.911 -12.366 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.438 -1.449 -13.056 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -2.876 0.067 -12.755 1.00 0.00 O ATOM 0 H GLU A 16 -2.073 -2.364 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.487 -3.537 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.366 -3.087 -12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.996 -3.541 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.212 -1.665 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.731 -0.731 -10.396 1.00 0.00 H new ATOM 261 N LYS A 17 -0.440 -0.285 -10.445 1.00 0.00 N ATOM 262 CA LYS A 17 0.216 0.911 -10.950 1.00 0.00 C ATOM 263 C LYS A 17 1.729 0.817 -10.758 1.00 0.00 C ATOM 264 O LYS A 17 2.499 1.388 -11.531 1.00 0.00 O ATOM 265 CB LYS A 17 -0.348 2.168 -10.270 1.00 0.00 C ATOM 266 CG LYS A 17 0.203 2.437 -8.875 1.00 0.00 C ATOM 267 CD LYS A 17 0.824 3.820 -8.772 1.00 0.00 C ATOM 268 CE LYS A 17 1.997 3.984 -9.727 1.00 0.00 C ATOM 269 NZ LYS A 17 1.580 4.577 -11.028 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.989 -0.140 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 17 0.015 0.988 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.139 3.031 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.432 2.075 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.599 2.343 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.951 1.683 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.069 4.575 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.160 3.992 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.754 4.618 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.459 3.013 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.596 3.843 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.617 4.960 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.235 5.342 -11.287 1.00 0.00 H new ATOM 283 N VAL A 18 2.144 0.110 -9.710 1.00 0.00 N ATOM 284 CA VAL A 18 3.564 -0.041 -9.401 1.00 0.00 C ATOM 285 C VAL A 18 4.284 -0.919 -10.424 1.00 0.00 C ATOM 286 O VAL A 18 5.365 -0.572 -10.898 1.00 0.00 O ATOM 287 CB VAL A 18 3.768 -0.644 -7.998 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.235 -0.605 -7.604 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.914 0.088 -6.973 1.00 0.00 C ATOM 0 H VAL A 18 1.518 -0.367 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 18 3.992 0.961 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 18 3.452 -1.687 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.356 -1.036 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.820 -1.179 -8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.582 0.428 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.071 -0.352 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.196 1.141 -6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.862 -0.000 -7.246 1.00 0.00 H new ATOM 299 N LYS A 19 3.680 -2.053 -10.758 1.00 0.00 N ATOM 300 CA LYS A 19 4.266 -2.979 -11.722 1.00 0.00 C ATOM 301 C LYS A 19 4.228 -2.402 -13.134 1.00 0.00 C ATOM 302 O LYS A 19 5.006 -2.803 -14.001 1.00 0.00 O ATOM 303 CB LYS A 19 3.526 -4.318 -11.687 1.00 0.00 C ATOM 304 CG LYS A 19 2.065 -4.216 -12.091 1.00 0.00 C ATOM 305 CD LYS A 19 1.407 -5.584 -12.150 1.00 0.00 C ATOM 306 CE LYS A 19 1.340 -6.232 -10.776 1.00 0.00 C ATOM 307 NZ LYS A 19 0.001 -6.826 -10.505 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.784 -2.355 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 19 5.308 -3.137 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.030 -5.020 -12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.588 -4.732 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.533 -3.585 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.989 -3.732 -13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.400 -5.487 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.965 -6.228 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.102 -7.008 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.568 -5.488 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.002 -7.257 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.724 -6.082 -10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.207 -7.554 -11.218 1.00 0.00 H new ATOM 321 N ALA A 20 3.314 -1.465 -13.359 1.00 0.00 N ATOM 322 CA ALA A 20 3.165 -0.838 -14.664 1.00 0.00 C ATOM 323 C ALA A 20 4.263 0.190 -14.918 1.00 0.00 C ATOM 324 O ALA A 20 4.608 0.471 -16.066 1.00 0.00 O ATOM 325 CB ALA A 20 1.793 -0.189 -14.773 1.00 0.00 C ATOM 0 H ALA A 20 2.664 -1.123 -12.651 1.00 0.00 H new ATOM 0 HA ALA A 20 3.257 -1.612 -15.426 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.688 0.278 -15.752 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.021 -0.948 -14.649 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.686 0.568 -13.996 1.00 0.00 H new ATOM 331 N LEU A 21 4.811 0.748 -13.842 1.00 0.00 N ATOM 332 CA LEU A 21 5.870 1.743 -13.959 1.00 0.00 C ATOM 333 C LEU A 21 7.206 1.087 -14.304 1.00 0.00 C ATOM 334 O LEU A 21 8.093 1.726 -14.870 1.00 0.00 O ATOM 335 CB LEU A 21 5.987 2.550 -12.659 1.00 0.00 C ATOM 336 CG LEU A 21 6.809 1.891 -11.544 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.211 2.480 -11.499 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.115 2.054 -10.198 1.00 0.00 C ATOM 0 H LEU A 21 4.540 0.529 -12.883 1.00 0.00 H new ATOM 0 HA LEU A 21 5.610 2.422 -14.771 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.432 3.517 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.983 2.744 -12.281 1.00 0.00 H new ATOM 0 HG LEU A 21 6.890 0.825 -11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.781 2.002 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.708 2.310 -12.454 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.150 3.551 -11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.714 1.580 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.002 3.115 -9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.132 1.584 -10.236 1.00 0.00 H new ATOM 350 N GLY A 22 7.342 -0.191 -13.961 1.00 0.00 N ATOM 351 CA GLY A 22 8.572 -0.907 -14.246 1.00 0.00 C ATOM 352 C GLY A 22 8.845 -2.016 -13.249 1.00 0.00 C ATOM 353 O GLY A 22 7.947 -2.439 -12.520 1.00 0.00 O ATOM 0 H GLY A 22 6.623 -0.742 -13.492 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.518 -1.330 -15.249 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.406 -0.205 -14.241 1.00 0.00 H new ATOM 357 N GLY A 23 10.087 -2.487 -13.217 1.00 0.00 N ATOM 358 CA GLY A 23 10.454 -3.548 -12.298 1.00 0.00 C ATOM 359 C GLY A 23 11.933 -3.877 -12.352 1.00 0.00 C ATOM 360 O GLY A 23 12.358 -4.731 -13.131 1.00 0.00 O ATOM 0 H GLY A 23 10.846 -2.153 -13.811 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.187 -3.253 -11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.877 -4.443 -12.532 1.00 0.00 H new ATOM 364 N GLY A 24 12.719 -3.196 -11.525 1.00 0.00 N ATOM 365 CA GLY A 24 14.151 -3.433 -11.496 1.00 0.00 C ATOM 366 C GLY A 24 14.854 -2.600 -10.443 1.00 0.00 C ATOM 367 O GLY A 24 15.400 -1.538 -10.744 1.00 0.00 O ATOM 0 H GLY A 24 12.390 -2.483 -10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.338 -4.490 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.574 -3.208 -12.475 1.00 0.00 H new ATOM 371 N GLY A 25 14.842 -3.082 -9.205 1.00 0.00 N ATOM 372 CA GLY A 25 15.486 -2.363 -8.122 1.00 0.00 C ATOM 373 C GLY A 25 14.529 -1.444 -7.387 1.00 0.00 C ATOM 374 O GLY A 25 13.721 -1.898 -6.578 1.00 0.00 O ATOM 0 H GLY A 25 14.397 -3.959 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.912 -3.078 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.314 -1.777 -8.521 1.00 0.00 H new ATOM 378 N ARG A 26 14.621 -0.149 -7.671 1.00 0.00 N ATOM 379 CA ARG A 26 13.758 0.842 -7.033 1.00 0.00 C ATOM 380 C ARG A 26 12.286 0.498 -7.239 1.00 0.00 C ATOM 381 O ARG A 26 11.489 0.567 -6.309 1.00 0.00 O ATOM 382 CB ARG A 26 14.054 2.239 -7.597 1.00 0.00 C ATOM 383 CG ARG A 26 12.979 3.273 -7.285 1.00 0.00 C ATOM 384 CD ARG A 26 13.584 4.575 -6.784 1.00 0.00 C ATOM 385 NE ARG A 26 14.203 4.421 -5.469 1.00 0.00 N ATOM 386 CZ ARG A 26 15.099 5.268 -4.967 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.485 6.328 -5.666 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 15.610 5.053 -3.762 1.00 0.00 N ATOM 0 H ARG A 26 15.285 0.240 -8.340 1.00 0.00 H new ATOM 0 HA ARG A 26 13.965 0.835 -5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.006 2.587 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.171 2.166 -8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.388 3.466 -8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.297 2.875 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.330 4.926 -7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.808 5.339 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 26 13.933 3.617 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.095 6.497 -6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.172 6.973 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.316 4.240 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.297 5.701 -3.376 1.00 0.00 H new ATOM 402 N ILE A 27 11.937 0.145 -8.469 1.00 0.00 N ATOM 403 CA ILE A 27 10.561 -0.199 -8.812 1.00 0.00 C ATOM 404 C ILE A 27 10.109 -1.501 -8.149 1.00 0.00 C ATOM 405 O ILE A 27 8.998 -1.589 -7.626 1.00 0.00 O ATOM 406 CB ILE A 27 10.380 -0.328 -10.337 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.051 0.843 -11.062 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.901 -0.399 -10.689 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.165 0.645 -12.558 1.00 0.00 C ATOM 0 H ILE A 27 12.590 0.089 -9.250 1.00 0.00 H new ATOM 0 HA ILE A 27 9.943 0.617 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 27 10.859 -1.250 -10.665 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.484 1.753 -10.867 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.048 0.993 -10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.788 -0.490 -11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.453 -1.266 -10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.402 0.508 -10.347 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.650 1.513 -13.004 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.758 -0.247 -12.763 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.170 0.525 -12.986 1.00 0.00 H new ATOM 421 N GLU A 28 10.966 -2.519 -8.200 1.00 0.00 N ATOM 422 CA GLU A 28 10.648 -3.829 -7.632 1.00 0.00 C ATOM 423 C GLU A 28 10.585 -3.802 -6.105 1.00 0.00 C ATOM 424 O GLU A 28 9.655 -4.338 -5.509 1.00 0.00 O ATOM 425 CB GLU A 28 11.681 -4.861 -8.084 1.00 0.00 C ATOM 426 CG GLU A 28 11.344 -5.515 -9.413 1.00 0.00 C ATOM 427 CD GLU A 28 10.589 -6.820 -9.247 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.085 -7.703 -8.517 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 9.502 -6.956 -9.845 1.00 0.00 O ATOM 0 H GLU A 28 11.889 -2.462 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 28 9.659 -4.105 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.655 -4.378 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.769 -5.634 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.746 -4.827 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.265 -5.700 -9.966 1.00 0.00 H new ATOM 436 N GLU A 29 11.582 -3.193 -5.480 1.00 0.00 N ATOM 437 CA GLU A 29 11.642 -3.115 -4.023 1.00 0.00 C ATOM 438 C GLU A 29 10.403 -2.433 -3.443 1.00 0.00 C ATOM 439 O GLU A 29 9.906 -2.813 -2.383 1.00 0.00 O ATOM 440 CB GLU A 29 12.902 -2.364 -3.586 1.00 0.00 C ATOM 441 CG GLU A 29 12.865 -0.875 -3.892 1.00 0.00 C ATOM 442 CD GLU A 29 14.131 -0.159 -3.466 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.229 -0.720 -3.674 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 14.027 0.962 -2.926 1.00 0.00 O ATOM 0 H GLU A 29 12.363 -2.744 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 29 11.675 -4.135 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.043 -2.502 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.767 -2.806 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.714 -0.732 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.010 -0.425 -3.386 1.00 0.00 H new ATOM 451 N LEU A 30 9.933 -1.407 -4.138 1.00 0.00 N ATOM 452 CA LEU A 30 8.779 -0.633 -3.708 1.00 0.00 C ATOM 453 C LEU A 30 7.531 -1.499 -3.529 1.00 0.00 C ATOM 454 O LEU A 30 6.823 -1.375 -2.529 1.00 0.00 O ATOM 455 CB LEU A 30 8.514 0.466 -4.735 1.00 0.00 C ATOM 456 CG LEU A 30 8.269 1.859 -4.158 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.537 2.398 -3.517 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.779 2.802 -5.246 1.00 0.00 C ATOM 0 H LEU A 30 10.342 -1.088 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 30 9.004 -0.199 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.365 0.517 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.647 0.181 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 30 7.499 1.787 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.346 3.391 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.850 1.731 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.326 2.459 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.608 3.791 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.530 2.870 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.847 2.422 -5.665 1.00 0.00 H new ATOM 470 N LYS A 31 7.257 -2.365 -4.498 1.00 0.00 N ATOM 471 CA LYS A 31 6.081 -3.233 -4.432 1.00 0.00 C ATOM 472 C LYS A 31 6.184 -4.239 -3.293 1.00 0.00 C ATOM 473 O LYS A 31 5.177 -4.593 -2.687 1.00 0.00 O ATOM 474 CB LYS A 31 5.831 -3.961 -5.755 1.00 0.00 C ATOM 475 CG LYS A 31 7.090 -4.391 -6.488 1.00 0.00 C ATOM 476 CD LYS A 31 6.759 -5.164 -7.755 1.00 0.00 C ATOM 477 CE LYS A 31 6.813 -4.272 -8.986 1.00 0.00 C ATOM 478 NZ LYS A 31 7.804 -4.763 -9.983 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.827 -2.487 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 31 5.230 -2.580 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.221 -4.843 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.250 -3.310 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.683 -3.512 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.701 -5.010 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.461 -5.989 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.765 -5.602 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.826 -4.228 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.071 -3.256 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.467 -3.997 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.331 -5.566 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.308 -5.069 -10.844 1.00 0.00 H new ATOM 492 N LYS A 32 7.397 -4.706 -3.007 1.00 0.00 N ATOM 493 CA LYS A 32 7.598 -5.678 -1.936 1.00 0.00 C ATOM 494 C LYS A 32 7.048 -5.133 -0.625 1.00 0.00 C ATOM 495 O LYS A 32 6.421 -5.855 0.148 1.00 0.00 O ATOM 496 CB LYS A 32 9.085 -6.007 -1.786 1.00 0.00 C ATOM 497 CG LYS A 32 9.793 -6.247 -3.108 1.00 0.00 C ATOM 498 CD LYS A 32 11.042 -7.093 -2.926 1.00 0.00 C ATOM 499 CE LYS A 32 12.089 -6.371 -2.095 1.00 0.00 C ATOM 500 NZ LYS A 32 13.454 -6.518 -2.671 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.248 -4.430 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 32 7.063 -6.593 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.578 -5.188 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.191 -6.894 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.114 -6.744 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.062 -5.291 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.778 -8.034 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.459 -7.342 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.835 -5.313 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.080 -6.764 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.139 -6.011 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.708 -7.526 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.470 -6.120 -3.632 1.00 0.00 H new ATOM 514 N LYS A 33 7.265 -3.844 -0.398 1.00 0.00 N ATOM 515 CA LYS A 33 6.769 -3.183 0.799 1.00 0.00 C ATOM 516 C LYS A 33 5.244 -3.180 0.793 1.00 0.00 C ATOM 517 O LYS A 33 4.603 -3.296 1.838 1.00 0.00 O ATOM 518 CB LYS A 33 7.300 -1.751 0.880 1.00 0.00 C ATOM 519 CG LYS A 33 6.816 -0.990 2.105 1.00 0.00 C ATOM 520 CD LYS A 33 7.977 -0.503 2.958 1.00 0.00 C ATOM 521 CE LYS A 33 8.251 -1.447 4.118 1.00 0.00 C ATOM 522 NZ LYS A 33 9.342 -0.944 4.997 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.783 -3.235 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 33 7.121 -3.730 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.390 -1.776 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.998 -1.209 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.213 -0.138 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.170 -1.634 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.871 -0.414 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.755 0.493 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.341 -1.574 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.521 -2.430 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.498 -1.616 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.217 -0.846 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.074 -0.018 5.387 1.00 0.00 H new ATOM 536 N TYR A 34 4.674 -3.041 -0.402 1.00 0.00 N ATOM 537 CA TYR A 34 3.227 -3.014 -0.574 1.00 0.00 C ATOM 538 C TYR A 34 2.576 -4.273 0.000 1.00 0.00 C ATOM 539 O TYR A 34 1.496 -4.208 0.584 1.00 0.00 O ATOM 540 CB TYR A 34 2.876 -2.868 -2.061 1.00 0.00 C ATOM 541 CG TYR A 34 2.086 -1.619 -2.370 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.798 -1.453 -1.881 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.630 -0.605 -3.147 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.074 -0.311 -2.157 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.911 0.540 -3.428 1.00 0.00 C ATOM 546 CZ TYR A 34 0.635 0.682 -2.931 1.00 0.00 C ATOM 547 OH TYR A 34 -0.081 1.823 -3.202 1.00 0.00 O ATOM 0 H TYR A 34 5.199 -2.945 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 34 2.838 -2.155 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.796 -2.861 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.303 -3.739 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.355 -2.230 -1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.631 -0.713 -3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.927 -0.196 -1.768 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.347 1.320 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 34 0.424 2.606 -2.897 1.00 0.00 H new ATOM 557 N GLU A 35 3.238 -5.415 -0.164 1.00 0.00 N ATOM 558 CA GLU A 35 2.717 -6.678 0.347 1.00 0.00 C ATOM 559 C GLU A 35 2.527 -6.603 1.858 1.00 0.00 C ATOM 560 O GLU A 35 1.525 -7.075 2.396 1.00 0.00 O ATOM 561 CB GLU A 35 3.663 -7.827 -0.007 1.00 0.00 C ATOM 562 CG GLU A 35 3.903 -7.979 -1.500 1.00 0.00 C ATOM 563 CD GLU A 35 2.713 -8.580 -2.223 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.567 -8.216 -1.886 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 2.928 -9.414 -3.127 1.00 0.00 O ATOM 0 H GLU A 35 4.134 -5.491 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 35 1.749 -6.865 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.619 -7.666 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.252 -8.758 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.129 -7.003 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.778 -8.609 -1.662 1.00 0.00 H new ATOM 572 N GLU A 36 3.497 -5.996 2.534 1.00 0.00 N ATOM 573 CA GLU A 36 3.445 -5.840 3.983 1.00 0.00 C ATOM 574 C GLU A 36 2.196 -5.068 4.394 1.00 0.00 C ATOM 575 O GLU A 36 1.583 -5.357 5.418 1.00 0.00 O ATOM 576 CB GLU A 36 4.696 -5.114 4.483 1.00 0.00 C ATOM 577 CG GLU A 36 4.744 -4.957 5.995 1.00 0.00 C ATOM 578 CD GLU A 36 5.571 -3.763 6.431 1.00 0.00 C ATOM 579 OE1 GLU A 36 5.096 -2.620 6.268 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.695 -3.972 6.934 1.00 0.00 O1- ATOM 0 H GLU A 36 4.332 -5.603 2.099 1.00 0.00 H new ATOM 0 HA GLU A 36 3.406 -6.832 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.579 -5.661 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.742 -4.127 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.729 -4.851 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.159 -5.863 6.438 1.00 0.00 H new ATOM 587 N LEU A 37 1.835 -4.078 3.588 1.00 0.00 N ATOM 588 CA LEU A 37 0.669 -3.247 3.854 1.00 0.00 C ATOM 589 C LEU A 37 -0.608 -4.080 3.935 1.00 0.00 C ATOM 590 O LEU A 37 -1.433 -3.885 4.825 1.00 0.00 O ATOM 591 CB LEU A 37 0.535 -2.202 2.746 1.00 0.00 C ATOM 592 CG LEU A 37 0.667 -0.747 3.189 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.660 -0.225 3.718 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.761 -0.594 4.235 1.00 0.00 C ATOM 0 H LEU A 37 2.339 -3.830 2.737 1.00 0.00 H new ATOM 0 HA LEU A 37 0.808 -2.759 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.293 -2.402 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.435 -2.330 2.267 1.00 0.00 H new ATOM 0 HG LEU A 37 0.947 -0.153 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.545 0.813 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.414 -0.288 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.973 -0.826 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.835 0.452 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.520 -1.204 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.713 -0.920 3.816 1.00 0.00 H new ATOM 606 N LYS A 38 -0.767 -4.994 2.988 1.00 0.00 N ATOM 607 CA LYS A 38 -1.950 -5.849 2.930 1.00 0.00 C ATOM 608 C LYS A 38 -2.142 -6.653 4.217 1.00 0.00 C ATOM 609 O LYS A 38 -3.267 -6.834 4.678 1.00 0.00 O ATOM 610 CB LYS A 38 -1.849 -6.803 1.737 1.00 0.00 C ATOM 611 CG LYS A 38 -2.508 -6.267 0.476 1.00 0.00 C ATOM 612 CD LYS A 38 -3.198 -7.374 -0.305 1.00 0.00 C ATOM 613 CE LYS A 38 -4.605 -7.628 0.210 1.00 0.00 C ATOM 614 NZ LYS A 38 -4.927 -9.081 0.255 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.089 -5.165 2.245 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.816 -5.198 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.798 -7.005 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.310 -7.754 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.235 -5.500 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.757 -5.790 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.239 -7.104 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.612 -8.291 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.708 -7.202 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.324 -7.117 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.959 -9.208 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.524 -9.552 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.523 -9.500 1.117 1.00 0.00 H new ATOM 628 N LYS A 39 -1.045 -7.148 4.781 1.00 0.00 N ATOM 629 CA LYS A 39 -1.105 -7.950 6.001 1.00 0.00 C ATOM 630 C LYS A 39 -1.590 -7.138 7.204 1.00 0.00 C ATOM 631 O LYS A 39 -2.310 -7.657 8.054 1.00 0.00 O ATOM 632 CB LYS A 39 0.257 -8.597 6.296 1.00 0.00 C ATOM 633 CG LYS A 39 1.313 -7.636 6.823 1.00 0.00 C ATOM 634 CD LYS A 39 1.968 -8.166 8.090 1.00 0.00 C ATOM 635 CE LYS A 39 3.253 -8.918 7.781 1.00 0.00 C ATOM 636 NZ LYS A 39 4.332 -8.594 8.755 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.104 -7.009 4.414 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.837 -8.739 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.115 -9.396 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.630 -9.061 5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.074 -7.475 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.856 -6.668 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.184 -7.337 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.275 -8.827 8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.059 -9.991 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.586 -8.669 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.191 -9.126 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.535 -7.575 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.024 -8.855 9.714 1.00 0.00 H new ATOM 650 N LYS A 40 -1.182 -5.875 7.282 1.00 0.00 N ATOM 651 CA LYS A 40 -1.567 -5.010 8.396 1.00 0.00 C ATOM 652 C LYS A 40 -3.081 -4.813 8.456 1.00 0.00 C ATOM 653 O LYS A 40 -3.682 -4.870 9.529 1.00 0.00 O ATOM 654 CB LYS A 40 -0.871 -3.653 8.275 1.00 0.00 C ATOM 655 CG LYS A 40 -0.349 -3.119 9.599 1.00 0.00 C ATOM 656 CD LYS A 40 0.446 -1.836 9.408 1.00 0.00 C ATOM 657 CE LYS A 40 1.794 -2.107 8.760 1.00 0.00 C ATOM 658 NZ LYS A 40 2.722 -2.819 9.682 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.585 -5.426 6.588 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.253 -5.498 9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.040 -3.741 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.570 -2.932 7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.185 -2.933 10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.281 -3.872 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.123 -1.143 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.596 -1.352 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.650 -2.703 7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.244 -1.164 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.686 -2.791 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.710 -2.356 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.419 -3.809 9.784 1.00 0.00 H new ATOM 672 N ILE A 41 -3.686 -4.579 7.300 1.00 0.00 N ATOM 673 CA ILE A 41 -5.128 -4.370 7.215 1.00 0.00 C ATOM 674 C ILE A 41 -5.875 -5.615 7.668 1.00 0.00 C ATOM 675 O ILE A 41 -6.929 -5.530 8.300 1.00 0.00 O ATOM 676 CB ILE A 41 -5.556 -4.010 5.779 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.755 -2.810 5.272 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.050 -3.717 5.724 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.473 -2.855 3.787 1.00 0.00 C ATOM 0 H ILE A 41 -3.201 -4.529 6.404 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.378 -3.538 7.873 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.351 -4.863 5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.302 -1.895 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.809 -2.761 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.334 -3.465 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.606 -4.597 6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.281 -2.879 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.902 -1.973 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.899 -3.752 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.415 -2.873 3.238 1.00 0.00 H new ATOM 691 N GLU A 42 -5.310 -6.772 7.349 1.00 0.00 N ATOM 692 CA GLU A 42 -5.900 -8.045 7.728 1.00 0.00 C ATOM 693 C GLU A 42 -5.981 -8.159 9.246 1.00 0.00 C ATOM 694 O GLU A 42 -6.905 -8.764 9.788 1.00 0.00 O ATOM 695 CB GLU A 42 -5.078 -9.202 7.154 1.00 0.00 C ATOM 696 CG GLU A 42 -5.720 -9.862 5.944 1.00 0.00 C ATOM 697 CD GLU A 42 -5.161 -11.244 5.669 1.00 0.00 C ATOM 698 OE1 GLU A 42 -3.921 -11.384 5.616 1.00 0.00 O ATOM 699 OE2 GLU A 42 -5.963 -12.187 5.505 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.438 -6.853 6.825 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.909 -8.096 7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.091 -8.833 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.930 -9.952 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.796 -9.934 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.568 -9.232 5.068 1.00 0.00 H new ATOM 706 N GLU A 43 -4.998 -7.572 9.922 1.00 0.00 N ATOM 707 CA GLU A 43 -4.944 -7.606 11.379 1.00 0.00 C ATOM 708 C GLU A 43 -5.862 -6.552 11.992 1.00 0.00 C ATOM 709 O GLU A 43 -6.279 -6.673 13.145 1.00 0.00 O ATOM 710 CB GLU A 43 -3.509 -7.391 11.861 1.00 0.00 C ATOM 711 CG GLU A 43 -2.666 -8.656 11.843 1.00 0.00 C ATOM 712 CD GLU A 43 -2.127 -9.021 13.213 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.123 -8.411 13.638 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -2.708 -9.917 13.859 1.00 0.00 O ATOM 0 H GLU A 43 -4.228 -7.067 9.484 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.289 -8.588 11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.033 -6.638 11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.531 -6.993 12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.266 -9.482 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.833 -8.522 11.153 1.00 0.00 H new ATOM 721 N LEU A 44 -6.174 -5.517 11.218 1.00 0.00 N ATOM 722 CA LEU A 44 -7.042 -4.442 11.691 1.00 0.00 C ATOM 723 C LEU A 44 -8.375 -4.995 12.191 1.00 0.00 C ATOM 724 O LEU A 44 -8.829 -6.047 11.744 1.00 0.00 O ATOM 725 CB LEU A 44 -7.283 -3.426 10.572 1.00 0.00 C ATOM 726 CG LEU A 44 -6.797 -2.008 10.870 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.662 -1.210 9.585 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.747 -1.312 11.835 1.00 0.00 C ATOM 0 H LEU A 44 -5.840 -5.399 10.262 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.543 -3.945 12.523 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.789 -3.781 9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.351 -3.390 10.358 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.815 -2.071 11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.315 -0.203 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.944 -1.699 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.630 -1.155 9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.386 -0.303 12.037 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.742 -1.260 11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.794 -1.874 12.768 1.00 0.00 H new ATOM 740 N GLY A 45 -8.994 -4.276 13.122 1.00 0.00 N ATOM 741 CA GLY A 45 -10.268 -4.710 13.668 1.00 0.00 C ATOM 742 C GLY A 45 -11.292 -3.592 13.706 1.00 0.00 C ATOM 743 O GLY A 45 -12.036 -3.391 12.746 1.00 0.00 O ATOM 0 H GLY A 45 -8.637 -3.402 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.655 -5.534 13.068 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.116 -5.094 14.677 1.00 0.00 H new ATOM 747 N GLY A 46 -11.330 -2.863 14.816 1.00 0.00 N ATOM 748 CA GLY A 46 -12.273 -1.769 14.954 1.00 0.00 C ATOM 749 C GLY A 46 -11.903 -0.572 14.101 1.00 0.00 C ATOM 750 O GLY A 46 -10.967 -0.635 13.304 1.00 0.00 O ATOM 0 H GLY A 46 -10.724 -3.010 15.623 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.269 -2.115 14.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.321 -1.465 16.000 1.00 0.00 H new ATOM 754 N GLY A 47 -12.639 0.521 14.269 1.00 0.00 N ATOM 755 CA GLY A 47 -12.368 1.723 13.501 1.00 0.00 C ATOM 756 C GLY A 47 -11.412 2.663 14.211 1.00 0.00 C ATOM 757 O GLY A 47 -11.056 2.438 15.367 1.00 0.00 O ATOM 0 H GLY A 47 -13.418 0.597 14.923 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.948 1.446 12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.305 2.244 13.304 1.00 0.00 H new ATOM 761 N GLY A 48 -10.998 3.718 13.517 1.00 0.00 N ATOM 762 CA GLY A 48 -10.083 4.679 14.104 1.00 0.00 C ATOM 763 C GLY A 48 -8.638 4.407 13.735 1.00 0.00 C ATOM 764 O GLY A 48 -7.819 5.324 13.692 1.00 0.00 O ATOM 0 H GLY A 48 -11.280 3.925 12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.355 5.682 13.776 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.187 4.659 15.189 1.00 0.00 H new ATOM 768 N GLU A 49 -8.325 3.144 13.468 1.00 0.00 N ATOM 769 CA GLU A 49 -6.967 2.753 13.101 1.00 0.00 C ATOM 770 C GLU A 49 -6.843 2.553 11.593 1.00 0.00 C ATOM 771 O GLU A 49 -5.756 2.685 11.028 1.00 0.00 O ATOM 772 CB GLU A 49 -6.570 1.469 13.831 1.00 0.00 C ATOM 773 CG GLU A 49 -5.149 1.016 13.533 1.00 0.00 C ATOM 774 CD GLU A 49 -4.374 0.661 14.787 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.986 0.117 15.730 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -3.154 0.929 14.826 1.00 0.00 O ATOM 0 H GLU A 49 -8.992 2.373 13.499 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.293 3.557 13.398 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.676 1.623 14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.262 0.674 13.553 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.179 0.150 12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.624 1.807 12.998 1.00 0.00 H new ATOM 783 N VAL A 50 -7.960 2.236 10.944 1.00 0.00 N ATOM 784 CA VAL A 50 -7.973 2.017 9.502 1.00 0.00 C ATOM 785 C VAL A 50 -7.401 3.217 8.754 1.00 0.00 C ATOM 786 O VAL A 50 -6.825 3.071 7.675 1.00 0.00 O ATOM 787 CB VAL A 50 -9.397 1.737 8.986 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.819 0.316 9.328 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.383 2.746 9.555 1.00 0.00 C ATOM 0 H VAL A 50 -8.868 2.125 11.395 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.348 1.144 9.313 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.396 1.840 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.828 0.136 8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.130 -0.390 8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.802 0.182 10.410 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.383 2.530 9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.384 2.680 10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.090 3.751 9.252 1.00 0.00 H new ATOM 799 N LYS A 51 -7.563 4.402 9.331 1.00 0.00 N ATOM 800 CA LYS A 51 -7.062 5.627 8.717 1.00 0.00 C ATOM 801 C LYS A 51 -5.538 5.631 8.677 1.00 0.00 C ATOM 802 O LYS A 51 -4.933 6.161 7.745 1.00 0.00 O ATOM 803 CB LYS A 51 -7.568 6.850 9.483 1.00 0.00 C ATOM 804 CG LYS A 51 -9.033 7.163 9.228 1.00 0.00 C ATOM 805 CD LYS A 51 -9.946 6.326 10.113 1.00 0.00 C ATOM 806 CE LYS A 51 -10.985 7.185 10.814 1.00 0.00 C ATOM 807 NZ LYS A 51 -10.394 7.963 11.938 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.037 4.541 10.223 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.434 5.670 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.420 6.687 10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.966 7.716 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.217 8.221 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.269 6.976 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.446 5.569 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.349 5.797 10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.435 7.870 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.786 6.550 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.156 8.346 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.787 7.341 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.826 8.746 11.557 1.00 0.00 H new ATOM 821 N LYS A 52 -4.923 5.038 9.695 1.00 0.00 N ATOM 822 CA LYS A 52 -3.467 4.974 9.777 1.00 0.00 C ATOM 823 C LYS A 52 -2.893 4.148 8.631 1.00 0.00 C ATOM 824 O LYS A 52 -1.805 4.432 8.132 1.00 0.00 O ATOM 825 CB LYS A 52 -3.038 4.375 11.118 1.00 0.00 C ATOM 826 CG LYS A 52 -3.372 5.256 12.311 1.00 0.00 C ATOM 827 CD LYS A 52 -2.252 6.241 12.608 1.00 0.00 C ATOM 828 CE LYS A 52 -2.645 7.662 12.236 1.00 0.00 C ATOM 829 NZ LYS A 52 -1.458 8.552 12.109 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.409 4.595 10.475 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.078 5.989 9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.521 3.406 11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.963 4.195 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.295 5.802 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.551 4.632 13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.000 6.198 13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.357 5.954 12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.193 7.652 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.319 8.062 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.484 9.275 12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.589 7.988 12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.470 9.016 11.178 1.00 0.00 H new ATOM 843 N VAL A 53 -3.632 3.123 8.221 1.00 0.00 N ATOM 844 CA VAL A 53 -3.199 2.251 7.133 1.00 0.00 C ATOM 845 C VAL A 53 -3.232 2.979 5.795 1.00 0.00 C ATOM 846 O VAL A 53 -2.352 2.790 4.960 1.00 0.00 O ATOM 847 CB VAL A 53 -4.081 0.989 7.044 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.591 0.061 5.939 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.112 0.266 8.382 1.00 0.00 C ATOM 0 H VAL A 53 -4.535 2.875 8.626 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.173 1.955 7.353 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.097 1.298 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.229 -0.822 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.628 0.583 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.565 -0.243 6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.739 -0.622 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.100 -0.028 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.519 0.930 9.145 1.00 0.00 H new ATOM 859 N GLU A 54 -4.251 3.809 5.593 1.00 0.00 N ATOM 860 CA GLU A 54 -4.388 4.559 4.349 1.00 0.00 C ATOM 861 C GLU A 54 -3.190 5.482 4.136 1.00 0.00 C ATOM 862 O GLU A 54 -2.757 5.705 3.007 1.00 0.00 O ATOM 863 CB GLU A 54 -5.681 5.376 4.361 1.00 0.00 C ATOM 864 CG GLU A 54 -6.926 4.539 4.606 1.00 0.00 C ATOM 865 CD GLU A 54 -8.168 5.386 4.804 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.079 6.415 5.506 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.230 5.019 4.258 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.992 3.979 6.273 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.426 3.846 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.610 6.142 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.783 5.894 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.080 3.867 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.772 3.915 5.486 1.00 0.00 H new ATOM 874 N GLU A 55 -2.662 6.014 5.232 1.00 0.00 N ATOM 875 CA GLU A 55 -1.511 6.911 5.177 1.00 0.00 C ATOM 876 C GLU A 55 -0.246 6.151 4.785 1.00 0.00 C ATOM 877 O GLU A 55 0.616 6.677 4.080 1.00 0.00 O ATOM 878 CB GLU A 55 -1.310 7.599 6.528 1.00 0.00 C ATOM 879 CG GLU A 55 -2.169 8.838 6.714 1.00 0.00 C ATOM 880 CD GLU A 55 -1.623 9.773 7.774 1.00 0.00 C ATOM 881 OE1 GLU A 55 -0.805 10.651 7.427 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.012 9.627 8.952 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.013 5.840 6.174 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.707 7.668 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.534 6.889 7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.261 7.876 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.240 9.372 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.180 8.537 6.987 1.00 0.00 H new ATOM 889 N GLU A 56 -0.137 4.919 5.267 1.00 0.00 N ATOM 890 CA GLU A 56 1.023 4.078 4.996 1.00 0.00 C ATOM 891 C GLU A 56 1.228 3.861 3.498 1.00 0.00 C ATOM 892 O GLU A 56 2.343 3.978 2.992 1.00 0.00 O ATOM 893 CB GLU A 56 0.845 2.730 5.697 1.00 0.00 C ATOM 894 CG GLU A 56 1.693 2.573 6.945 1.00 0.00 C ATOM 895 CD GLU A 56 3.174 2.475 6.639 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.521 2.131 5.489 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 3.988 2.741 7.549 1.00 0.00 O ATOM 0 H GLU A 56 -0.845 4.477 5.853 1.00 0.00 H new ATOM 0 HA GLU A 56 1.908 4.586 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.204 2.605 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.093 1.932 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.519 3.421 7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.378 1.679 7.483 1.00 0.00 H new ATOM 904 N VAL A 57 0.147 3.545 2.796 1.00 0.00 N ATOM 905 CA VAL A 57 0.209 3.310 1.358 1.00 0.00 C ATOM 906 C VAL A 57 0.552 4.593 0.605 1.00 0.00 C ATOM 907 O VAL A 57 1.252 4.561 -0.406 1.00 0.00 O ATOM 908 CB VAL A 57 -1.111 2.714 0.818 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.174 3.787 0.626 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.856 1.966 -0.481 1.00 0.00 C ATOM 0 H VAL A 57 -0.785 3.445 3.199 1.00 0.00 H new ATOM 0 HA VAL A 57 1.003 2.582 1.189 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.491 2.011 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.088 3.330 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.380 4.270 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.816 4.530 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.793 1.551 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.445 2.652 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.147 1.158 -0.302 1.00 0.00 H new ATOM 920 N LYS A 58 0.052 5.720 1.104 1.00 0.00 N ATOM 921 CA LYS A 58 0.303 7.015 0.479 1.00 0.00 C ATOM 922 C LYS A 58 1.801 7.260 0.319 1.00 0.00 C ATOM 923 O LYS A 58 2.237 7.893 -0.640 1.00 0.00 O ATOM 924 CB LYS A 58 -0.326 8.135 1.313 1.00 0.00 C ATOM 925 CG LYS A 58 -1.290 9.009 0.527 1.00 0.00 C ATOM 926 CD LYS A 58 -0.626 10.297 0.066 1.00 0.00 C ATOM 927 CE LYS A 58 -0.596 11.340 1.173 1.00 0.00 C ATOM 928 NZ LYS A 58 -1.455 12.514 0.854 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.530 5.762 1.940 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.152 7.010 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.854 7.694 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.467 8.760 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.659 8.459 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.155 9.246 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.392 10.085 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.162 10.695 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.931 10.888 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.430 11.673 1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.407 13.201 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.120 12.961 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.439 12.201 0.729 1.00 0.00 H new ATOM 942 N LYS A 59 2.582 6.758 1.266 1.00 0.00 N ATOM 943 CA LYS A 59 4.031 6.918 1.228 1.00 0.00 C ATOM 944 C LYS A 59 4.647 6.118 0.078 1.00 0.00 C ATOM 945 O LYS A 59 5.607 6.559 -0.554 1.00 0.00 O ATOM 946 CB LYS A 59 4.647 6.471 2.555 1.00 0.00 C ATOM 947 CG LYS A 59 3.973 7.077 3.775 1.00 0.00 C ATOM 948 CD LYS A 59 4.343 6.328 5.045 1.00 0.00 C ATOM 949 CE LYS A 59 4.047 7.153 6.288 1.00 0.00 C ATOM 950 NZ LYS A 59 5.287 7.720 6.886 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.237 6.236 2.071 1.00 0.00 H new ATOM 0 HA LYS A 59 4.246 7.974 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.593 5.384 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.704 6.739 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.264 8.123 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.891 7.058 3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.789 5.390 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.402 6.072 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.364 7.963 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.540 6.530 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.043 8.275 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.928 6.946 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.757 8.335 6.192 1.00 0.00 H new ATOM 964 N LEU A 60 4.099 4.931 -0.168 1.00 0.00 N ATOM 965 CA LEU A 60 4.602 4.047 -1.219 1.00 0.00 C ATOM 966 C LEU A 60 4.548 4.697 -2.601 1.00 0.00 C ATOM 967 O LEU A 60 5.506 4.615 -3.369 1.00 0.00 O ATOM 968 CB LEU A 60 3.798 2.745 -1.231 1.00 0.00 C ATOM 969 CG LEU A 60 4.613 1.479 -1.498 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.110 1.457 -2.936 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.779 1.378 -0.525 1.00 0.00 C ATOM 0 H LEU A 60 3.303 4.557 0.348 1.00 0.00 H new ATOM 0 HA LEU A 60 5.648 3.840 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.295 2.638 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.020 2.824 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 60 3.966 0.615 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.688 0.549 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.258 1.479 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.740 2.328 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.347 0.471 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.427 2.246 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.399 1.344 0.496 1.00 0.00 H new ATOM 983 N GLU A 61 3.427 5.335 -2.919 1.00 0.00 N ATOM 984 CA GLU A 61 3.266 5.984 -4.217 1.00 0.00 C ATOM 985 C GLU A 61 4.175 7.204 -4.336 1.00 0.00 C ATOM 986 O GLU A 61 4.670 7.515 -5.418 1.00 0.00 O ATOM 987 CB GLU A 61 1.806 6.386 -4.450 1.00 0.00 C ATOM 988 CG GLU A 61 1.198 7.181 -3.308 1.00 0.00 C ATOM 989 CD GLU A 61 1.141 8.667 -3.597 1.00 0.00 C ATOM 990 OE1 GLU A 61 0.891 9.036 -4.764 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.346 9.464 -2.657 1.00 0.00 O ATOM 0 H GLU A 61 2.620 5.417 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 61 3.554 5.265 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.743 6.976 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.212 5.486 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.191 6.814 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.781 7.013 -2.403 1.00 0.00 H new ATOM 998 N GLU A 62 4.391 7.888 -3.218 1.00 0.00 N ATOM 999 CA GLU A 62 5.243 9.072 -3.195 1.00 0.00 C ATOM 1000 C GLU A 62 6.630 8.744 -3.733 1.00 0.00 C ATOM 1001 O GLU A 62 7.247 9.551 -4.426 1.00 0.00 O ATOM 1002 CB GLU A 62 5.349 9.623 -1.772 1.00 0.00 C ATOM 1003 CG GLU A 62 4.191 10.528 -1.382 1.00 0.00 C ATOM 1004 CD GLU A 62 4.479 11.992 -1.647 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.744 12.342 -2.817 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 4.441 12.789 -0.686 1.00 0.00 O ATOM 0 H GLU A 62 3.987 7.643 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 62 4.792 9.831 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.400 8.790 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.282 10.178 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.300 10.231 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.969 10.391 -0.324 1.00 0.00 H new ATOM 1013 N GLU A 63 7.108 7.546 -3.416 1.00 0.00 N ATOM 1014 CA GLU A 63 8.415 7.098 -3.876 1.00 0.00 C ATOM 1015 C GLU A 63 8.386 6.857 -5.379 1.00 0.00 C ATOM 1016 O GLU A 63 9.380 7.063 -6.075 1.00 0.00 O ATOM 1017 CB GLU A 63 8.832 5.817 -3.150 1.00 0.00 C ATOM 1018 CG GLU A 63 8.620 5.873 -1.646 1.00 0.00 C ATOM 1019 CD GLU A 63 9.759 6.563 -0.922 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.207 7.628 -1.398 1.00 0.00 O ATOM 1021 OE2 GLU A 63 10.203 6.039 0.121 1.00 0.00 O1- ATOM 0 H GLU A 63 6.608 6.867 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 63 9.144 7.877 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.267 4.978 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.885 5.621 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.688 6.398 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.510 4.859 -1.260 1.00 0.00 H new ATOM 1028 N ILE A 64 7.232 6.420 -5.870 1.00 0.00 N ATOM 1029 CA ILE A 64 7.055 6.150 -7.292 1.00 0.00 C ATOM 1030 C ILE A 64 7.294 7.409 -8.123 1.00 0.00 C ATOM 1031 O ILE A 64 7.777 7.337 -9.253 1.00 0.00 O ATOM 1032 CB ILE A 64 5.643 5.603 -7.593 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.345 4.388 -6.712 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.514 5.239 -9.065 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.964 3.806 -6.931 1.00 0.00 C ATOM 0 H ILE A 64 6.403 6.245 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 64 7.790 5.393 -7.565 1.00 0.00 H new ATOM 0 HB ILE A 64 4.915 6.382 -7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.090 3.617 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.448 4.674 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.512 4.855 -9.258 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.687 6.125 -9.675 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.250 4.475 -9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.822 2.948 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.211 4.562 -6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.863 3.488 -7.969 1.00 0.00 H new ATOM 1047 N LYS A 65 6.953 8.561 -7.558 1.00 0.00 N ATOM 1048 CA LYS A 65 7.133 9.832 -8.249 1.00 0.00 C ATOM 1049 C LYS A 65 8.613 10.197 -8.341 1.00 0.00 C ATOM 1050 O LYS A 65 9.025 10.932 -9.239 1.00 0.00 O ATOM 1051 CB LYS A 65 6.366 10.943 -7.528 1.00 0.00 C ATOM 1052 CG LYS A 65 4.879 10.661 -7.383 1.00 0.00 C ATOM 1053 CD LYS A 65 4.198 11.699 -6.507 1.00 0.00 C ATOM 1054 CE LYS A 65 4.304 13.091 -7.107 1.00 0.00 C ATOM 1055 NZ LYS A 65 3.545 13.204 -8.383 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.551 8.641 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 65 6.739 9.726 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.798 11.088 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.499 11.877 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.412 10.651 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.736 9.670 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.148 11.436 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.651 11.694 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.926 13.824 -6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.352 13.331 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.514 14.200 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.014 12.637 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.576 12.854 -8.242 1.00 0.00 H new ATOM 1069 N LYS A 66 9.407 9.680 -7.408 1.00 0.00 N ATOM 1070 CA LYS A 66 10.840 9.953 -7.385 1.00 0.00 C ATOM 1071 C LYS A 66 11.591 9.060 -8.370 1.00 0.00 C ATOM 1072 O LYS A 66 12.703 9.383 -8.789 1.00 0.00 O ATOM 1073 CB LYS A 66 11.395 9.753 -5.974 1.00 0.00 C ATOM 1074 CG LYS A 66 10.939 10.811 -4.984 1.00 0.00 C ATOM 1075 CD LYS A 66 12.056 11.200 -4.028 1.00 0.00 C ATOM 1076 CE LYS A 66 12.731 12.492 -4.456 1.00 0.00 C ATOM 1077 NZ LYS A 66 14.019 12.240 -5.161 1.00 0.00 N1+ ATOM 0 H LYS A 66 9.082 9.070 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 66 10.987 10.990 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.092 8.772 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.484 9.754 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.598 11.694 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.087 10.436 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.652 11.315 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.795 10.399 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.062 13.051 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.913 13.114 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.447 13.147 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.667 11.729 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.843 11.668 -6.012 1.00 0.00 H new ATOM 1091 N LEU A 67 10.983 7.935 -8.734 1.00 0.00 N ATOM 1092 CA LEU A 67 11.603 7.001 -9.668 1.00 0.00 C ATOM 1093 C LEU A 67 11.166 7.287 -11.100 1.00 0.00 C ATOM 1094 O LEU A 67 10.275 8.144 -11.285 1.00 0.00 O ATOM 1095 CB LEU A 67 11.260 5.555 -9.290 1.00 0.00 C ATOM 1096 CG LEU A 67 9.769 5.247 -9.155 1.00 0.00 C ATOM 1097 CD1 LEU A 67 9.090 5.251 -10.516 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.564 3.908 -8.462 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.717 6.655 -12.025 1.00 0.00 O ATOM 0 H LEU A 67 10.064 7.648 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 67 12.683 7.134 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.684 4.891 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.749 5.319 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 67 9.314 6.028 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.030 5.029 -10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.205 6.232 -10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.548 4.495 -11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.497 3.704 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.037 3.119 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.011 3.940 -7.468 1.00 0.00 H new