USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=6 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+ 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= -0.0472 (180deg=-0.0472) USER MOD Single : A 19 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.673) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 139:sc= -10.5! USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.511 (180deg=-1.32) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0255) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0227 (180deg=-0.255) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.286 -4.799 6.845 1.00 0.00 N ATOM 11 CA SER A 2 -16.995 -4.050 5.813 1.00 0.00 C ATOM 12 C SER A 2 -16.222 -2.793 5.425 1.00 0.00 C ATOM 13 O SER A 2 -16.219 -2.389 4.262 1.00 0.00 O ATOM 14 CB SER A 2 -18.396 -3.674 6.298 1.00 0.00 C ATOM 15 OG SER A 2 -19.262 -4.794 6.273 1.00 0.00 O ATOM 0 HA SER A 2 -17.083 -4.686 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.339 -3.277 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.802 -2.882 5.668 1.00 0.00 H new ATOM 0 HG SER A 2 -20.151 -4.528 6.589 1.00 0.00 H new ATOM 21 N ARG A 3 -15.566 -2.180 6.405 1.00 0.00 N ATOM 22 CA ARG A 3 -14.790 -0.969 6.163 1.00 0.00 C ATOM 23 C ARG A 3 -13.299 -1.285 6.085 1.00 0.00 C ATOM 24 O ARG A 3 -12.563 -0.664 5.319 1.00 0.00 O ATOM 25 CB ARG A 3 -15.051 0.060 7.264 1.00 0.00 C ATOM 26 CG ARG A 3 -14.674 -0.425 8.655 1.00 0.00 C ATOM 27 CD ARG A 3 -13.401 0.239 9.155 1.00 0.00 C ATOM 28 NE ARG A 3 -13.683 1.387 10.016 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.665 2.655 9.604 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.377 2.953 8.343 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.939 3.629 10.460 1.00 0.00 N ATOM 0 H ARG A 3 -15.556 -2.501 7.373 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.104 -0.551 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.491 0.968 7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.108 0.328 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.490 -0.216 9.347 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.539 -1.506 8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.805 -0.489 9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.803 0.563 8.303 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.908 1.206 10.994 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.167 2.208 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.366 3.926 8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.163 3.407 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.926 4.600 10.149 1.00 0.00 H new ATOM 45 N VAL A 4 -12.861 -2.257 6.879 1.00 0.00 N ATOM 46 CA VAL A 4 -11.459 -2.656 6.895 1.00 0.00 C ATOM 47 C VAL A 4 -11.092 -3.409 5.621 1.00 0.00 C ATOM 48 O VAL A 4 -10.054 -3.148 5.012 1.00 0.00 O ATOM 49 CB VAL A 4 -11.138 -3.542 8.114 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.649 -3.846 8.180 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.611 -2.876 9.398 1.00 0.00 C ATOM 0 H VAL A 4 -13.457 -2.782 7.519 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.869 -1.741 6.959 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.672 -4.486 8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.444 -4.473 9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.344 -4.370 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.091 -2.914 8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.376 -3.516 10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.108 -1.916 9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.688 -2.718 9.350 1.00 0.00 H new ATOM 61 N LYS A 5 -11.950 -4.343 5.220 1.00 0.00 N ATOM 62 CA LYS A 5 -11.711 -5.125 4.013 1.00 0.00 C ATOM 63 C LYS A 5 -11.623 -4.213 2.796 1.00 0.00 C ATOM 64 O LYS A 5 -10.746 -4.373 1.951 1.00 0.00 O ATOM 65 CB LYS A 5 -12.818 -6.165 3.814 1.00 0.00 C ATOM 66 CG LYS A 5 -12.778 -6.852 2.456 1.00 0.00 C ATOM 67 CD LYS A 5 -11.391 -7.391 2.140 1.00 0.00 C ATOM 68 CE LYS A 5 -11.442 -8.849 1.712 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.765 -9.753 2.851 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.813 -4.575 5.711 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.761 -5.648 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.739 -6.921 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.786 -5.680 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.499 -7.670 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.080 -6.146 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.940 -6.794 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.752 -7.291 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.190 -8.971 0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.482 -9.135 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.790 -10.737 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.038 -9.656 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.693 -9.497 3.245 1.00 0.00 H new ATOM 83 N ALA A 6 -12.532 -3.248 2.720 1.00 0.00 N ATOM 84 CA ALA A 6 -12.547 -2.301 1.614 1.00 0.00 C ATOM 85 C ALA A 6 -11.208 -1.585 1.515 1.00 0.00 C ATOM 86 O ALA A 6 -10.725 -1.287 0.423 1.00 0.00 O ATOM 87 CB ALA A 6 -13.679 -1.302 1.789 1.00 0.00 C ATOM 0 H ALA A 6 -13.268 -3.102 3.411 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.714 -2.848 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.677 -0.601 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.631 -1.832 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.541 -0.756 2.722 1.00 0.00 H new ATOM 93 N LEU A 7 -10.612 -1.325 2.672 1.00 0.00 N ATOM 94 CA LEU A 7 -9.321 -0.656 2.746 1.00 0.00 C ATOM 95 C LEU A 7 -8.262 -1.449 1.988 1.00 0.00 C ATOM 96 O LEU A 7 -7.428 -0.883 1.282 1.00 0.00 O ATOM 97 CB LEU A 7 -8.906 -0.508 4.210 1.00 0.00 C ATOM 98 CG LEU A 7 -8.237 0.815 4.572 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.873 0.923 3.909 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.122 1.985 4.176 1.00 0.00 C ATOM 0 H LEU A 7 -11.008 -1.570 3.580 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.409 0.329 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.791 -0.631 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.224 -1.321 4.460 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.094 0.845 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.411 1.873 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.239 0.103 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.989 0.871 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.629 2.920 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.298 1.960 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.074 1.915 4.701 1.00 0.00 H new ATOM 112 N GLU A 8 -8.305 -2.766 2.147 1.00 0.00 N ATOM 113 CA GLU A 8 -7.355 -3.655 1.488 1.00 0.00 C ATOM 114 C GLU A 8 -7.506 -3.604 -0.034 1.00 0.00 C ATOM 115 O GLU A 8 -6.538 -3.789 -0.768 1.00 0.00 O ATOM 116 CB GLU A 8 -7.537 -5.092 2.000 1.00 0.00 C ATOM 117 CG GLU A 8 -8.489 -5.944 1.170 1.00 0.00 C ATOM 118 CD GLU A 8 -7.782 -6.689 0.055 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.665 -7.192 0.292 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.347 -6.769 -1.056 1.00 0.00 O1- ATOM 0 H GLU A 8 -8.992 -3.245 2.730 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.348 -3.316 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.563 -5.580 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.904 -5.055 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.990 -6.661 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.263 -5.306 0.742 1.00 0.00 H new ATOM 127 N GLU A 9 -8.731 -3.374 -0.497 1.00 0.00 N ATOM 128 CA GLU A 9 -9.019 -3.321 -1.928 1.00 0.00 C ATOM 129 C GLU A 9 -8.361 -2.120 -2.607 1.00 0.00 C ATOM 130 O GLU A 9 -7.909 -2.219 -3.746 1.00 0.00 O ATOM 131 CB GLU A 9 -10.531 -3.280 -2.157 1.00 0.00 C ATOM 132 CG GLU A 9 -11.165 -4.655 -2.283 1.00 0.00 C ATOM 133 CD GLU A 9 -11.233 -5.137 -3.720 1.00 0.00 C ATOM 134 OE1 GLU A 9 -10.161 -5.307 -4.339 1.00 0.00 O ATOM 135 OE2 GLU A 9 -12.355 -5.345 -4.223 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.544 -3.221 0.100 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.600 -4.222 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.001 -2.747 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.737 -2.710 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.594 -5.370 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.171 -4.627 -1.865 1.00 0.00 H new ATOM 142 N LYS A 10 -8.326 -0.984 -1.917 1.00 0.00 N ATOM 143 CA LYS A 10 -7.738 0.232 -2.479 1.00 0.00 C ATOM 144 C LYS A 10 -6.214 0.141 -2.556 1.00 0.00 C ATOM 145 O LYS A 10 -5.600 0.669 -3.483 1.00 0.00 O ATOM 146 CB LYS A 10 -8.148 1.454 -1.653 1.00 0.00 C ATOM 147 CG LYS A 10 -7.722 1.381 -0.195 1.00 0.00 C ATOM 148 CD LYS A 10 -7.529 2.768 0.397 1.00 0.00 C ATOM 149 CE LYS A 10 -6.372 3.504 -0.263 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.753 4.885 -0.671 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.695 -0.878 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.119 0.340 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.715 2.347 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.231 1.566 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.475 0.840 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.793 0.817 -0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.445 3.346 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.344 2.684 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.529 3.549 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.038 2.946 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.938 5.353 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.540 4.842 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.047 5.426 0.167 1.00 0.00 H new ATOM 164 N VAL A 11 -5.611 -0.522 -1.578 1.00 0.00 N ATOM 165 CA VAL A 11 -4.160 -0.673 -1.531 1.00 0.00 C ATOM 166 C VAL A 11 -3.647 -1.519 -2.695 1.00 0.00 C ATOM 167 O VAL A 11 -2.579 -1.256 -3.248 1.00 0.00 O ATOM 168 CB VAL A 11 -3.717 -1.322 -0.204 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.201 -1.370 -0.103 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.314 -0.574 0.979 1.00 0.00 C ATOM 0 H VAL A 11 -6.105 -0.966 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.734 0.327 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.087 -2.347 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.914 -1.832 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.800 -1.955 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.801 -0.357 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.991 -1.045 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.977 0.462 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.402 -0.603 0.916 1.00 0.00 H new ATOM 180 N LYS A 12 -4.419 -2.536 -3.056 1.00 0.00 N ATOM 181 CA LYS A 12 -4.061 -3.434 -4.148 1.00 0.00 C ATOM 182 C LYS A 12 -4.146 -2.729 -5.490 1.00 0.00 C ATOM 183 O LYS A 12 -3.328 -2.965 -6.379 1.00 0.00 O ATOM 184 CB LYS A 12 -4.960 -4.667 -4.149 1.00 0.00 C ATOM 185 CG LYS A 12 -4.339 -5.862 -4.852 1.00 0.00 C ATOM 186 CD LYS A 12 -4.908 -7.167 -4.324 1.00 0.00 C ATOM 187 CE LYS A 12 -4.612 -8.325 -5.264 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.569 -8.372 -6.405 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.305 -2.761 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.029 -3.749 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.192 -4.940 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.904 -4.419 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.520 -5.791 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.258 -5.850 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.486 -7.378 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.986 -7.069 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.595 -8.232 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.660 -9.263 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.334 -9.175 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.537 -8.486 -6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.505 -7.487 -6.948 1.00 0.00 H new ATOM 202 N ALA A 13 -5.143 -1.866 -5.638 1.00 0.00 N ATOM 203 CA ALA A 13 -5.326 -1.137 -6.882 1.00 0.00 C ATOM 204 C ALA A 13 -4.059 -0.370 -7.217 1.00 0.00 C ATOM 205 O ALA A 13 -3.671 -0.266 -8.381 1.00 0.00 O ATOM 206 CB ALA A 13 -6.515 -0.193 -6.776 1.00 0.00 C ATOM 0 H ALA A 13 -5.832 -1.656 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.530 -1.847 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.638 0.345 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.418 -0.767 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.343 0.520 -5.970 1.00 0.00 H new ATOM 212 N LEU A 14 -3.396 0.135 -6.184 1.00 0.00 N ATOM 213 CA LEU A 14 -2.143 0.854 -6.375 1.00 0.00 C ATOM 214 C LEU A 14 -1.046 -0.121 -6.786 1.00 0.00 C ATOM 215 O LEU A 14 -0.126 0.231 -7.513 1.00 0.00 O ATOM 216 CB LEU A 14 -1.735 1.602 -5.108 1.00 0.00 C ATOM 217 CG LEU A 14 -0.882 2.848 -5.356 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.107 3.881 -4.263 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.592 2.476 -5.456 1.00 0.00 C ATOM 0 H LEU A 14 -3.702 0.061 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.288 1.590 -7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.635 1.895 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.182 0.921 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.187 3.289 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.491 4.758 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.157 4.171 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.834 3.455 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.183 3.375 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.913 2.008 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.736 1.779 -6.282 1.00 0.00 H new ATOM 231 N GLU A 15 -1.161 -1.353 -6.306 1.00 0.00 N ATOM 232 CA GLU A 15 -0.192 -2.398 -6.612 1.00 0.00 C ATOM 233 C GLU A 15 -0.023 -2.572 -8.120 1.00 0.00 C ATOM 234 O GLU A 15 1.080 -2.797 -8.614 1.00 0.00 O ATOM 235 CB GLU A 15 -0.648 -3.716 -5.990 1.00 0.00 C ATOM 236 CG GLU A 15 0.439 -4.768 -5.939 1.00 0.00 C ATOM 237 CD GLU A 15 -0.057 -6.144 -6.339 1.00 0.00 C ATOM 238 OE1 GLU A 15 -1.050 -6.612 -5.743 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.547 -6.752 -7.247 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.923 -1.655 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 15 0.771 -2.104 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.007 -3.526 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.492 -4.105 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.254 -4.474 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.848 -4.813 -4.930 1.00 0.00 H new ATOM 246 N GLU A 16 -1.136 -2.473 -8.833 1.00 0.00 N ATOM 247 CA GLU A 16 -1.153 -2.626 -10.285 1.00 0.00 C ATOM 248 C GLU A 16 -0.290 -1.575 -10.963 1.00 0.00 C ATOM 249 O GLU A 16 0.351 -1.849 -11.974 1.00 0.00 O ATOM 250 CB GLU A 16 -2.588 -2.535 -10.809 1.00 0.00 C ATOM 251 CG GLU A 16 -3.544 -3.508 -10.138 1.00 0.00 C ATOM 252 CD GLU A 16 -4.853 -3.651 -10.889 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.243 -2.694 -11.590 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.487 -4.721 -10.777 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.052 -2.285 -8.425 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.742 -3.608 -10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.955 -1.519 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.586 -2.722 -11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.066 -4.485 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.747 -3.169 -9.122 1.00 0.00 H new ATOM 261 N LYS A 17 -0.277 -0.375 -10.403 1.00 0.00 N ATOM 262 CA LYS A 17 0.514 0.714 -10.957 1.00 0.00 C ATOM 263 C LYS A 17 2.007 0.459 -10.750 1.00 0.00 C ATOM 264 O LYS A 17 2.838 0.904 -11.542 1.00 0.00 O ATOM 265 CB LYS A 17 0.095 2.060 -10.345 1.00 0.00 C ATOM 266 CG LYS A 17 0.606 2.298 -8.931 1.00 0.00 C ATOM 267 CD LYS A 17 1.314 3.638 -8.809 1.00 0.00 C ATOM 268 CE LYS A 17 2.484 3.746 -9.775 1.00 0.00 C ATOM 269 NZ LYS A 17 2.396 4.971 -10.618 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.805 -0.130 -9.565 1.00 0.00 H new ATOM 0 HA LYS A 17 0.326 0.760 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.454 2.864 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.993 2.119 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.229 2.262 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.291 1.497 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.605 4.443 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.672 3.769 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.418 3.758 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.508 2.865 -10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.211 5.008 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.517 4.948 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.399 5.813 -10.008 1.00 0.00 H new ATOM 283 N VAL A 18 2.341 -0.244 -9.667 1.00 0.00 N ATOM 284 CA VAL A 18 3.738 -0.537 -9.344 1.00 0.00 C ATOM 285 C VAL A 18 4.397 -1.447 -10.379 1.00 0.00 C ATOM 286 O VAL A 18 5.511 -1.173 -10.827 1.00 0.00 O ATOM 287 CB VAL A 18 3.865 -1.190 -7.955 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.326 -1.280 -7.539 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.058 -0.416 -6.924 1.00 0.00 C ATOM 0 H VAL A 18 1.666 -0.620 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 18 4.254 0.423 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 18 3.463 -2.202 -8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.396 -1.744 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.874 -1.882 -8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.755 -0.279 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.160 -0.893 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.427 0.608 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.008 -0.408 -7.215 1.00 0.00 H new ATOM 299 N LYS A 19 3.714 -2.520 -10.769 1.00 0.00 N ATOM 300 CA LYS A 19 4.265 -3.441 -11.762 1.00 0.00 C ATOM 301 C LYS A 19 4.291 -2.775 -13.131 1.00 0.00 C ATOM 302 O LYS A 19 5.138 -3.076 -13.971 1.00 0.00 O ATOM 303 CB LYS A 19 3.460 -4.744 -11.844 1.00 0.00 C ATOM 304 CG LYS A 19 2.747 -5.130 -10.557 1.00 0.00 C ATOM 305 CD LYS A 19 1.240 -4.996 -10.704 1.00 0.00 C ATOM 306 CE LYS A 19 0.591 -6.326 -11.049 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.106 -6.924 -9.877 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.790 -2.772 -10.419 1.00 0.00 H new ATOM 0 HA LYS A 19 5.279 -3.691 -11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.721 -4.649 -12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.132 -5.554 -12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.000 -6.157 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.094 -4.495 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.816 -4.614 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.013 -4.267 -11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.122 -6.182 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.351 -7.018 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.000 -7.958 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.310 -6.553 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.116 -6.679 -9.912 1.00 0.00 H new ATOM 321 N ALA A 20 3.352 -1.860 -13.336 1.00 0.00 N ATOM 322 CA ALA A 20 3.247 -1.129 -14.588 1.00 0.00 C ATOM 323 C ALA A 20 4.315 -0.041 -14.674 1.00 0.00 C ATOM 324 O ALA A 20 4.523 0.559 -15.729 1.00 0.00 O ATOM 325 CB ALA A 20 1.856 -0.530 -14.723 1.00 0.00 C ATOM 0 H ALA A 20 2.647 -1.606 -12.643 1.00 0.00 H new ATOM 0 HA ALA A 20 3.412 -1.823 -15.412 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.785 0.016 -15.664 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.113 -1.328 -14.710 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.671 0.152 -13.893 1.00 0.00 H new ATOM 331 N LEU A 21 4.989 0.210 -13.552 1.00 0.00 N ATOM 332 CA LEU A 21 6.033 1.224 -13.490 1.00 0.00 C ATOM 333 C LEU A 21 7.261 0.788 -14.286 1.00 0.00 C ATOM 334 O LEU A 21 7.999 1.621 -14.813 1.00 0.00 O ATOM 335 CB LEU A 21 6.424 1.482 -12.031 1.00 0.00 C ATOM 336 CG LEU A 21 6.616 2.953 -11.649 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.312 3.065 -10.300 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.407 3.691 -12.720 1.00 0.00 C ATOM 0 H LEU A 21 4.827 -0.279 -12.672 1.00 0.00 H new ATOM 0 HA LEU A 21 5.646 2.143 -13.929 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.656 1.055 -11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.350 0.947 -11.821 1.00 0.00 H new ATOM 0 HG LEU A 21 5.633 3.417 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.441 4.116 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.706 2.577 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.288 2.582 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.531 4.734 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.387 3.227 -12.833 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.870 3.642 -13.667 1.00 0.00 H new ATOM 350 N GLY A 22 7.474 -0.522 -14.368 1.00 0.00 N ATOM 351 CA GLY A 22 8.612 -1.044 -15.101 1.00 0.00 C ATOM 352 C GLY A 22 8.982 -2.450 -14.674 1.00 0.00 C ATOM 353 O GLY A 22 8.574 -3.425 -15.305 1.00 0.00 O ATOM 0 H GLY A 22 6.879 -1.231 -13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.386 -1.039 -16.167 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.468 -0.386 -14.953 1.00 0.00 H new ATOM 357 N GLY A 23 9.758 -2.555 -13.601 1.00 0.00 N ATOM 358 CA GLY A 23 10.172 -3.856 -13.108 1.00 0.00 C ATOM 359 C GLY A 23 11.679 -4.018 -13.093 1.00 0.00 C ATOM 360 O GLY A 23 12.280 -4.400 -14.096 1.00 0.00 O ATOM 0 H GLY A 23 10.108 -1.762 -13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.784 -3.999 -12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.732 -4.634 -13.732 1.00 0.00 H new ATOM 364 N GLY A 24 12.291 -3.723 -11.950 1.00 0.00 N ATOM 365 CA GLY A 24 13.732 -3.841 -11.828 1.00 0.00 C ATOM 366 C GLY A 24 14.364 -2.600 -11.231 1.00 0.00 C ATOM 367 O GLY A 24 14.217 -1.501 -11.767 1.00 0.00 O ATOM 0 H GLY A 24 11.814 -3.404 -11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.972 -4.703 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.163 -4.028 -12.811 1.00 0.00 H new ATOM 371 N GLY A 25 15.072 -2.773 -10.120 1.00 0.00 N ATOM 372 CA GLY A 25 15.718 -1.648 -9.470 1.00 0.00 C ATOM 373 C GLY A 25 14.908 -1.099 -8.311 1.00 0.00 C ATOM 374 O GLY A 25 14.772 -1.751 -7.276 1.00 0.00 O ATOM 0 H GLY A 25 15.210 -3.672 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.699 -1.956 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.882 -0.856 -10.201 1.00 0.00 H new ATOM 378 N ARG A 26 14.374 0.105 -8.484 1.00 0.00 N ATOM 379 CA ARG A 26 13.578 0.749 -7.444 1.00 0.00 C ATOM 380 C ARG A 26 12.119 0.302 -7.505 1.00 0.00 C ATOM 381 O ARG A 26 11.417 0.322 -6.499 1.00 0.00 O ATOM 382 CB ARG A 26 13.663 2.275 -7.579 1.00 0.00 C ATOM 383 CG ARG A 26 12.603 3.023 -6.784 1.00 0.00 C ATOM 384 CD ARG A 26 12.985 4.478 -6.566 1.00 0.00 C ATOM 385 NE ARG A 26 13.349 4.745 -5.176 1.00 0.00 N ATOM 386 CZ ARG A 26 13.687 5.947 -4.714 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.711 6.995 -5.528 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 14.001 6.101 -3.436 1.00 0.00 N ATOM 0 H ARG A 26 14.478 0.656 -9.336 1.00 0.00 H new ATOM 0 HA ARG A 26 13.985 0.450 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.649 2.605 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.570 2.543 -8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.650 2.972 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.461 2.536 -5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.822 4.735 -7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.151 5.119 -6.852 1.00 0.00 H new ATOM 0 HE ARG A 26 13.344 3.964 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.470 6.882 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.971 7.914 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.984 5.299 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.260 7.022 -3.082 1.00 0.00 H new ATOM 402 N ILE A 27 11.663 -0.071 -8.694 1.00 0.00 N ATOM 403 CA ILE A 27 10.280 -0.499 -8.889 1.00 0.00 C ATOM 404 C ILE A 27 9.964 -1.822 -8.187 1.00 0.00 C ATOM 405 O ILE A 27 8.913 -1.964 -7.564 1.00 0.00 O ATOM 406 CB ILE A 27 9.953 -0.644 -10.388 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.409 0.598 -11.158 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.462 -0.881 -10.584 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.573 0.336 -12.090 1.00 0.00 C ATOM 0 H ILE A 27 12.231 -0.086 -9.541 1.00 0.00 H new ATOM 0 HA ILE A 27 9.662 0.280 -8.443 1.00 0.00 H new ATOM 0 HB ILE A 27 10.493 -1.506 -10.780 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.570 0.985 -11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.691 1.374 -10.446 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.246 -0.981 -11.648 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.168 -1.794 -10.066 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.903 -0.038 -10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.843 1.259 -12.603 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.426 -0.023 -11.514 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.288 -0.417 -12.825 1.00 0.00 H new ATOM 421 N GLU A 28 10.858 -2.799 -8.322 1.00 0.00 N ATOM 422 CA GLU A 28 10.647 -4.122 -7.731 1.00 0.00 C ATOM 423 C GLU A 28 10.633 -4.096 -6.201 1.00 0.00 C ATOM 424 O GLU A 28 9.758 -4.693 -5.577 1.00 0.00 O ATOM 425 CB GLU A 28 11.719 -5.104 -8.219 1.00 0.00 C ATOM 426 CG GLU A 28 13.114 -4.504 -8.301 1.00 0.00 C ATOM 427 CD GLU A 28 14.173 -5.399 -7.689 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.843 -6.151 -6.748 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 15.332 -5.350 -8.151 1.00 0.00 O ATOM 0 H GLU A 28 11.735 -2.702 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 28 9.662 -4.453 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.743 -5.963 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.436 -5.476 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.363 -4.315 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.121 -3.540 -7.792 1.00 0.00 H new ATOM 436 N GLU A 29 11.605 -3.423 -5.601 1.00 0.00 N ATOM 437 CA GLU A 29 11.698 -3.348 -4.143 1.00 0.00 C ATOM 438 C GLU A 29 10.477 -2.661 -3.534 1.00 0.00 C ATOM 439 O GLU A 29 9.999 -3.048 -2.467 1.00 0.00 O ATOM 440 CB GLU A 29 12.966 -2.599 -3.731 1.00 0.00 C ATOM 441 CG GLU A 29 14.218 -3.091 -4.437 1.00 0.00 C ATOM 442 CD GLU A 29 15.476 -2.411 -3.933 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.409 -1.207 -3.604 1.00 0.00 O ATOM 444 OE2 GLU A 29 16.527 -3.080 -3.867 1.00 0.00 O1- ATOM 0 H GLU A 29 12.341 -2.921 -6.097 1.00 0.00 H new ATOM 0 HA GLU A 29 11.737 -4.370 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.835 -1.537 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.103 -2.698 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.310 -4.168 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.119 -2.916 -5.508 1.00 0.00 H new ATOM 451 N LEU A 30 10.001 -1.629 -4.210 1.00 0.00 N ATOM 452 CA LEU A 30 8.858 -0.852 -3.748 1.00 0.00 C ATOM 453 C LEU A 30 7.612 -1.715 -3.555 1.00 0.00 C ATOM 454 O LEU A 30 6.923 -1.601 -2.541 1.00 0.00 O ATOM 455 CB LEU A 30 8.573 0.265 -4.752 1.00 0.00 C ATOM 456 CG LEU A 30 8.286 1.636 -4.140 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.570 2.263 -3.618 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.625 2.545 -5.164 1.00 0.00 C ATOM 0 H LEU A 30 10.394 -1.305 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 30 9.108 -0.430 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.428 0.356 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.719 -0.028 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 30 7.601 1.506 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.349 3.239 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.006 1.618 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.277 2.382 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.427 3.517 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.287 2.670 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.686 2.100 -5.493 1.00 0.00 H new ATOM 470 N LYS A 31 7.318 -2.567 -4.531 1.00 0.00 N ATOM 471 CA LYS A 31 6.140 -3.431 -4.454 1.00 0.00 C ATOM 472 C LYS A 31 6.261 -4.452 -3.331 1.00 0.00 C ATOM 473 O LYS A 31 5.264 -4.807 -2.709 1.00 0.00 O ATOM 474 CB LYS A 31 5.864 -4.142 -5.781 1.00 0.00 C ATOM 475 CG LYS A 31 7.108 -4.533 -6.562 1.00 0.00 C ATOM 476 CD LYS A 31 6.752 -5.256 -7.850 1.00 0.00 C ATOM 477 CE LYS A 31 6.289 -6.680 -7.583 1.00 0.00 C ATOM 478 NZ LYS A 31 5.045 -7.009 -8.331 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.873 -2.680 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 31 5.295 -2.778 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.279 -5.040 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.249 -3.493 -6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.689 -3.640 -6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.739 -5.174 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.966 -4.709 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.619 -5.272 -8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.078 -7.377 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.116 -6.811 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.763 -7.988 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.285 -6.360 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.217 -6.909 -9.352 1.00 0.00 H new ATOM 492 N LYS A 32 7.475 -4.928 -3.074 1.00 0.00 N ATOM 493 CA LYS A 32 7.689 -5.914 -2.017 1.00 0.00 C ATOM 494 C LYS A 32 7.170 -5.376 -0.689 1.00 0.00 C ATOM 495 O LYS A 32 6.555 -6.103 0.091 1.00 0.00 O ATOM 496 CB LYS A 32 9.174 -6.261 -1.897 1.00 0.00 C ATOM 497 CG LYS A 32 9.858 -6.481 -3.235 1.00 0.00 C ATOM 498 CD LYS A 32 11.063 -7.399 -3.102 1.00 0.00 C ATOM 499 CE LYS A 32 12.191 -6.730 -2.332 1.00 0.00 C ATOM 500 NZ LYS A 32 13.441 -6.649 -3.138 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.319 -4.652 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 32 7.141 -6.821 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.684 -5.458 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.280 -7.161 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.148 -6.911 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.174 -5.522 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.768 -8.317 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.416 -7.683 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.884 -5.727 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.385 -7.287 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.186 -6.187 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.749 -7.608 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.263 -6.096 -4.000 1.00 0.00 H new ATOM 514 N LYS A 33 7.404 -4.091 -0.454 1.00 0.00 N ATOM 515 CA LYS A 33 6.943 -3.438 0.761 1.00 0.00 C ATOM 516 C LYS A 33 5.419 -3.398 0.786 1.00 0.00 C ATOM 517 O LYS A 33 4.798 -3.514 1.842 1.00 0.00 O ATOM 518 CB LYS A 33 7.511 -2.020 0.851 1.00 0.00 C ATOM 519 CG LYS A 33 7.107 -1.284 2.117 1.00 0.00 C ATOM 520 CD LYS A 33 7.802 -1.860 3.340 1.00 0.00 C ATOM 521 CE LYS A 33 9.011 -1.028 3.737 1.00 0.00 C ATOM 522 NZ LYS A 33 9.268 -1.086 5.203 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.913 -3.480 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 33 7.295 -4.008 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.599 -2.069 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.177 -1.448 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.355 -0.227 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.027 -1.347 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.100 -1.903 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.115 -2.883 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.890 -1.385 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.853 0.008 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.100 -0.506 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.440 -0.721 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.444 -2.071 5.486 1.00 0.00 H new ATOM 536 N TYR A 34 4.828 -3.226 -0.393 1.00 0.00 N ATOM 537 CA TYR A 34 3.377 -3.163 -0.528 1.00 0.00 C ATOM 538 C TYR A 34 2.714 -4.415 0.043 1.00 0.00 C ATOM 539 O TYR A 34 1.650 -4.333 0.654 1.00 0.00 O ATOM 540 CB TYR A 34 2.983 -2.977 -1.999 1.00 0.00 C ATOM 541 CG TYR A 34 2.221 -1.699 -2.255 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.894 -1.572 -1.870 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.832 -0.616 -2.874 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.196 -0.403 -2.096 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.141 0.558 -3.101 1.00 0.00 C ATOM 546 CZ TYR A 34 0.823 0.658 -2.711 1.00 0.00 C ATOM 547 OH TYR A 34 0.131 1.826 -2.928 1.00 0.00 O ATOM 0 H TYR A 34 5.335 -3.127 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 34 3.025 -2.304 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.884 -2.984 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.375 -3.824 -2.315 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.399 -2.401 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.864 -0.693 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.837 -0.321 -1.792 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.630 1.392 -3.581 1.00 0.00 H new ATOM 0 HH TYR A 34 0.712 2.591 -2.734 1.00 0.00 H new ATOM 557 N GLU A 35 3.345 -5.570 -0.152 1.00 0.00 N ATOM 558 CA GLU A 35 2.807 -6.828 0.355 1.00 0.00 C ATOM 559 C GLU A 35 2.600 -6.749 1.864 1.00 0.00 C ATOM 560 O GLU A 35 1.598 -7.228 2.392 1.00 0.00 O ATOM 561 CB GLU A 35 3.748 -7.986 0.015 1.00 0.00 C ATOM 562 CG GLU A 35 3.669 -8.426 -1.439 1.00 0.00 C ATOM 563 CD GLU A 35 2.932 -9.739 -1.611 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.867 -9.910 -0.981 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 3.419 -10.599 -2.375 1.00 0.00 O ATOM 0 H GLU A 35 4.227 -5.660 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 35 1.843 -7.007 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.772 -7.690 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.513 -8.835 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.168 -7.653 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.678 -8.524 -1.840 1.00 0.00 H new ATOM 572 N GLU A 36 3.555 -6.126 2.548 1.00 0.00 N ATOM 573 CA GLU A 36 3.481 -5.962 3.995 1.00 0.00 C ATOM 574 C GLU A 36 2.221 -5.197 4.380 1.00 0.00 C ATOM 575 O GLU A 36 1.592 -5.484 5.397 1.00 0.00 O ATOM 576 CB GLU A 36 4.719 -5.226 4.512 1.00 0.00 C ATOM 577 CG GLU A 36 4.921 -5.358 6.013 1.00 0.00 C ATOM 578 CD GLU A 36 5.464 -4.090 6.641 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.685 -3.847 6.531 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 4.670 -3.338 7.245 1.00 0.00 O ATOM 0 H GLU A 36 4.391 -5.726 2.122 1.00 0.00 H new ATOM 0 HA GLU A 36 3.444 -6.951 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.601 -5.611 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.637 -4.170 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.971 -5.614 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.607 -6.181 6.213 1.00 0.00 H new ATOM 587 N LEU A 37 1.867 -4.215 3.557 1.00 0.00 N ATOM 588 CA LEU A 37 0.692 -3.388 3.793 1.00 0.00 C ATOM 589 C LEU A 37 -0.579 -4.231 3.862 1.00 0.00 C ATOM 590 O LEU A 37 -1.418 -4.039 4.741 1.00 0.00 O ATOM 591 CB LEU A 37 0.572 -2.364 2.659 1.00 0.00 C ATOM 592 CG LEU A 37 0.638 -0.895 3.074 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.731 -0.403 3.515 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.668 -0.683 4.174 1.00 0.00 C ATOM 0 H LEU A 37 2.385 -3.972 2.712 1.00 0.00 H new ATOM 0 HA LEU A 37 0.808 -2.882 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.368 -2.554 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.373 -2.533 2.142 1.00 0.00 H new ATOM 0 HG LEU A 37 0.950 -0.312 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.664 0.645 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.437 -0.506 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.074 -0.995 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.694 0.371 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.398 -1.280 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.651 -0.989 3.816 1.00 0.00 H new ATOM 606 N LYS A 38 -0.714 -5.158 2.923 1.00 0.00 N ATOM 607 CA LYS A 38 -1.882 -6.032 2.862 1.00 0.00 C ATOM 608 C LYS A 38 -2.086 -6.784 4.175 1.00 0.00 C ATOM 609 O LYS A 38 -3.216 -6.971 4.622 1.00 0.00 O ATOM 610 CB LYS A 38 -1.734 -7.028 1.711 1.00 0.00 C ATOM 611 CG LYS A 38 -1.554 -6.367 0.354 1.00 0.00 C ATOM 612 CD LYS A 38 -1.087 -7.365 -0.695 1.00 0.00 C ATOM 613 CE LYS A 38 -1.747 -7.111 -2.041 1.00 0.00 C ATOM 614 NZ LYS A 38 -2.310 -8.358 -2.628 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.026 -5.326 2.189 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.758 -5.406 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.878 -7.673 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.616 -7.668 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.497 -5.920 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.829 -5.557 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.004 -7.301 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.315 -8.377 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.542 -6.375 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.017 -6.684 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.488 -8.215 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.633 -9.137 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.203 -8.594 -2.150 1.00 0.00 H new ATOM 628 N LYS A 39 -0.988 -7.230 4.775 1.00 0.00 N ATOM 629 CA LYS A 39 -1.039 -7.982 6.027 1.00 0.00 C ATOM 630 C LYS A 39 -1.572 -7.138 7.186 1.00 0.00 C ATOM 631 O LYS A 39 -2.288 -7.645 8.048 1.00 0.00 O ATOM 632 CB LYS A 39 0.352 -8.516 6.375 1.00 0.00 C ATOM 633 CG LYS A 39 0.764 -9.724 5.551 1.00 0.00 C ATOM 634 CD LYS A 39 2.092 -10.294 6.023 1.00 0.00 C ATOM 635 CE LYS A 39 2.230 -11.763 5.658 1.00 0.00 C ATOM 636 NZ LYS A 39 2.154 -11.979 4.186 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.046 -7.083 4.413 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.729 -8.813 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.084 -7.721 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.376 -8.782 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.007 -10.492 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.841 -9.441 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.911 -9.729 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.176 -10.177 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.181 -12.142 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.443 -12.335 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.386 -12.969 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.191 -11.768 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.831 -11.351 3.708 1.00 0.00 H new ATOM 650 N LYS A 40 -1.203 -5.861 7.216 1.00 0.00 N ATOM 651 CA LYS A 40 -1.630 -4.961 8.287 1.00 0.00 C ATOM 652 C LYS A 40 -3.147 -4.804 8.323 1.00 0.00 C ATOM 653 O LYS A 40 -3.754 -4.778 9.394 1.00 0.00 O ATOM 654 CB LYS A 40 -0.973 -3.590 8.115 1.00 0.00 C ATOM 655 CG LYS A 40 -0.559 -2.947 9.427 1.00 0.00 C ATOM 656 CD LYS A 40 0.264 -1.687 9.199 1.00 0.00 C ATOM 657 CE LYS A 40 1.725 -1.898 9.563 1.00 0.00 C ATOM 658 NZ LYS A 40 2.272 -0.757 10.348 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.609 -5.424 6.511 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.316 -5.403 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.095 -3.694 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.666 -2.927 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.448 -2.701 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.020 -3.659 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.189 -1.387 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.146 -0.872 9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.826 -2.817 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.311 -2.027 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.270 -0.939 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.199 0.116 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.729 -0.650 11.229 1.00 0.00 H new ATOM 672 N ILE A 41 -3.753 -4.697 7.149 1.00 0.00 N ATOM 673 CA ILE A 41 -5.199 -4.538 7.039 1.00 0.00 C ATOM 674 C ILE A 41 -5.916 -5.797 7.507 1.00 0.00 C ATOM 675 O ILE A 41 -6.990 -5.731 8.105 1.00 0.00 O ATOM 676 CB ILE A 41 -5.614 -4.218 5.590 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.846 -2.999 5.077 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.116 -3.977 5.505 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.711 -2.960 3.570 1.00 0.00 C ATOM 0 H ILE A 41 -3.264 -4.717 6.254 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.487 -3.703 7.678 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.369 -5.074 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.352 -2.094 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.852 -2.992 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.391 -3.752 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.647 -4.870 5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.386 -3.136 6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.156 -2.069 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.178 -3.848 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.702 -2.935 3.116 1.00 0.00 H new ATOM 691 N GLU A 42 -5.305 -6.943 7.239 1.00 0.00 N ATOM 692 CA GLU A 42 -5.865 -8.224 7.637 1.00 0.00 C ATOM 693 C GLU A 42 -5.988 -8.298 9.153 1.00 0.00 C ATOM 694 O GLU A 42 -6.911 -8.914 9.686 1.00 0.00 O ATOM 695 CB GLU A 42 -4.990 -9.370 7.120 1.00 0.00 C ATOM 696 CG GLU A 42 -5.575 -10.085 5.914 1.00 0.00 C ATOM 697 CD GLU A 42 -5.115 -11.526 5.811 1.00 0.00 C ATOM 698 OE1 GLU A 42 -5.772 -12.403 6.411 1.00 0.00 O ATOM 699 OE2 GLU A 42 -4.099 -11.778 5.131 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.416 -7.010 6.744 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.859 -8.320 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.008 -8.976 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.840 -10.092 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.663 -10.058 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.292 -9.551 5.007 1.00 0.00 H new ATOM 706 N GLU A 43 -5.046 -7.662 9.843 1.00 0.00 N ATOM 707 CA GLU A 43 -5.039 -7.652 11.301 1.00 0.00 C ATOM 708 C GLU A 43 -6.130 -6.734 11.843 1.00 0.00 C ATOM 709 O GLU A 43 -6.682 -6.975 12.916 1.00 0.00 O ATOM 710 CB GLU A 43 -3.673 -7.204 11.823 1.00 0.00 C ATOM 711 CG GLU A 43 -2.596 -8.268 11.699 1.00 0.00 C ATOM 712 CD GLU A 43 -1.684 -8.319 12.910 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.140 -8.783 13.977 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -0.516 -7.894 12.792 1.00 0.00 O ATOM 0 H GLU A 43 -4.277 -7.146 9.415 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.237 -8.666 11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.358 -6.315 11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.770 -6.917 12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.066 -9.242 11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.000 -8.074 10.808 1.00 0.00 H new ATOM 721 N LEU A 44 -6.433 -5.681 11.092 1.00 0.00 N ATOM 722 CA LEU A 44 -7.457 -4.725 11.495 1.00 0.00 C ATOM 723 C LEU A 44 -8.835 -5.383 11.523 1.00 0.00 C ATOM 724 O LEU A 44 -9.168 -6.185 10.652 1.00 0.00 O ATOM 725 CB LEU A 44 -7.464 -3.526 10.542 1.00 0.00 C ATOM 726 CG LEU A 44 -6.806 -2.260 11.091 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.642 -1.224 9.990 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.623 -1.694 12.243 1.00 0.00 C ATOM 0 H LEU A 44 -5.984 -5.468 10.201 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.223 -4.378 12.501 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.956 -3.811 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.497 -3.296 10.279 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.816 -2.519 11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.172 -0.330 10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.016 -1.632 9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.620 -0.966 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.141 -0.793 12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.626 -1.449 11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.689 -2.434 13.041 1.00 0.00 H new ATOM 740 N GLY A 45 -9.629 -5.037 12.532 1.00 0.00 N ATOM 741 CA GLY A 45 -10.959 -5.603 12.655 1.00 0.00 C ATOM 742 C GLY A 45 -12.051 -4.574 12.433 1.00 0.00 C ATOM 743 O GLY A 45 -13.133 -4.901 11.947 1.00 0.00 O ATOM 0 H GLY A 45 -9.375 -4.375 13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.074 -6.412 11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.074 -6.041 13.646 1.00 0.00 H new ATOM 747 N GLY A 46 -11.765 -3.326 12.790 1.00 0.00 N ATOM 748 CA GLY A 46 -12.739 -2.264 12.620 1.00 0.00 C ATOM 749 C GLY A 46 -12.407 -1.036 13.444 1.00 0.00 C ATOM 750 O GLY A 46 -11.281 -0.885 13.918 1.00 0.00 O ATOM 0 H GLY A 46 -10.876 -3.031 13.194 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.791 -1.988 11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.726 -2.631 12.902 1.00 0.00 H new ATOM 754 N GLY A 47 -13.389 -0.158 13.617 1.00 0.00 N ATOM 755 CA GLY A 47 -13.175 1.051 14.390 1.00 0.00 C ATOM 756 C GLY A 47 -12.664 2.200 13.543 1.00 0.00 C ATOM 757 O GLY A 47 -12.832 2.204 12.323 1.00 0.00 O ATOM 0 H GLY A 47 -14.329 -0.262 13.236 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.110 1.344 14.867 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.461 0.847 15.188 1.00 0.00 H new ATOM 761 N GLY A 48 -12.039 3.179 14.191 1.00 0.00 N ATOM 762 CA GLY A 48 -11.512 4.325 13.473 1.00 0.00 C ATOM 763 C GLY A 48 -9.997 4.325 13.414 1.00 0.00 C ATOM 764 O GLY A 48 -9.362 5.360 13.623 1.00 0.00 O ATOM 0 H GLY A 48 -11.888 3.199 15.200 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.912 4.330 12.459 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.854 5.241 13.955 1.00 0.00 H new ATOM 768 N GLU A 49 -9.417 3.165 13.127 1.00 0.00 N ATOM 769 CA GLU A 49 -7.966 3.035 13.040 1.00 0.00 C ATOM 770 C GLU A 49 -7.521 2.755 11.607 1.00 0.00 C ATOM 771 O GLU A 49 -6.350 2.923 11.269 1.00 0.00 O ATOM 772 CB GLU A 49 -7.476 1.918 13.964 1.00 0.00 C ATOM 773 CG GLU A 49 -5.967 1.739 13.953 1.00 0.00 C ATOM 774 CD GLU A 49 -5.443 1.117 15.232 1.00 0.00 C ATOM 775 OE1 GLU A 49 -6.083 0.172 15.739 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -4.393 1.576 15.729 1.00 0.00 O ATOM 0 H GLU A 49 -9.929 2.301 12.950 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.527 3.981 13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.801 2.131 14.982 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.947 0.980 13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.686 1.112 13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.491 2.708 13.804 1.00 0.00 H new ATOM 783 N VAL A 50 -8.457 2.324 10.765 1.00 0.00 N ATOM 784 CA VAL A 50 -8.155 2.019 9.371 1.00 0.00 C ATOM 785 C VAL A 50 -7.478 3.198 8.675 1.00 0.00 C ATOM 786 O VAL A 50 -6.688 3.014 7.750 1.00 0.00 O ATOM 787 CB VAL A 50 -9.428 1.641 8.591 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.909 0.252 8.987 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.519 2.678 8.818 1.00 0.00 C ATOM 0 H VAL A 50 -9.432 2.178 11.025 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.473 1.169 9.378 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.189 1.624 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.809 0.005 8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.131 -0.479 8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.132 0.234 10.054 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.411 2.395 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.757 2.729 9.880 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.171 3.653 8.477 1.00 0.00 H new ATOM 799 N LYS A 51 -7.801 4.408 9.122 1.00 0.00 N ATOM 800 CA LYS A 51 -7.230 5.620 8.540 1.00 0.00 C ATOM 801 C LYS A 51 -5.703 5.591 8.574 1.00 0.00 C ATOM 802 O LYS A 51 -5.045 6.153 7.699 1.00 0.00 O ATOM 803 CB LYS A 51 -7.745 6.855 9.281 1.00 0.00 C ATOM 804 CG LYS A 51 -8.902 7.548 8.577 1.00 0.00 C ATOM 805 CD LYS A 51 -10.069 6.599 8.351 1.00 0.00 C ATOM 806 CE LYS A 51 -11.275 6.985 9.193 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.292 7.730 8.400 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.456 4.576 9.886 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.543 5.668 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.062 6.562 10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.926 7.564 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.234 8.399 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.562 7.942 7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.344 6.604 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.764 5.582 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.728 6.086 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.950 7.598 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.098 7.974 9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.868 8.601 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.622 7.136 7.613 1.00 0.00 H new ATOM 821 N LYS A 52 -5.145 4.938 9.588 1.00 0.00 N ATOM 822 CA LYS A 52 -3.694 4.846 9.732 1.00 0.00 C ATOM 823 C LYS A 52 -3.076 4.047 8.587 1.00 0.00 C ATOM 824 O LYS A 52 -1.958 4.328 8.156 1.00 0.00 O ATOM 825 CB LYS A 52 -3.324 4.216 11.080 1.00 0.00 C ATOM 826 CG LYS A 52 -3.652 2.734 11.182 1.00 0.00 C ATOM 827 CD LYS A 52 -2.393 1.882 11.253 1.00 0.00 C ATOM 828 CE LYS A 52 -2.244 1.218 12.614 1.00 0.00 C ATOM 829 NZ LYS A 52 -1.396 -0.004 12.547 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.673 4.465 10.322 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.291 5.858 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.257 4.354 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.847 4.749 11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.262 2.556 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.247 2.433 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.425 1.118 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.520 2.504 11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.805 1.926 13.317 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.229 0.955 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.320 -0.426 13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.827 -0.691 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.448 0.250 12.204 1.00 0.00 H new ATOM 843 N VAL A 53 -3.807 3.048 8.103 1.00 0.00 N ATOM 844 CA VAL A 53 -3.330 2.204 7.012 1.00 0.00 C ATOM 845 C VAL A 53 -3.298 2.965 5.690 1.00 0.00 C ATOM 846 O VAL A 53 -2.390 2.785 4.883 1.00 0.00 O ATOM 847 CB VAL A 53 -4.206 0.948 6.847 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.610 0.007 5.809 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.380 0.240 8.183 1.00 0.00 C ATOM 0 H VAL A 53 -4.734 2.802 8.450 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.316 1.901 7.274 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.189 1.259 6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.245 -0.873 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.545 0.519 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.613 -0.299 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.002 -0.645 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.404 -0.057 8.567 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.859 0.915 8.893 1.00 0.00 H new ATOM 859 N GLU A 54 -4.300 3.805 5.466 1.00 0.00 N ATOM 860 CA GLU A 54 -4.383 4.582 4.234 1.00 0.00 C ATOM 861 C GLU A 54 -3.213 5.556 4.113 1.00 0.00 C ATOM 862 O GLU A 54 -2.756 5.856 3.011 1.00 0.00 O ATOM 863 CB GLU A 54 -5.705 5.351 4.184 1.00 0.00 C ATOM 864 CG GLU A 54 -6.931 4.456 4.246 1.00 0.00 C ATOM 865 CD GLU A 54 -8.207 5.234 4.505 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.515 6.150 3.715 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -8.897 4.927 5.500 1.00 0.00 O ATOM 0 H GLU A 54 -5.066 3.966 6.120 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.336 3.887 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.737 6.056 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.740 5.938 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.026 3.911 3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.796 3.714 5.033 1.00 0.00 H new ATOM 874 N GLU A 55 -2.747 6.060 5.250 1.00 0.00 N ATOM 875 CA GLU A 55 -1.640 7.014 5.273 1.00 0.00 C ATOM 876 C GLU A 55 -0.307 6.366 4.896 1.00 0.00 C ATOM 877 O GLU A 55 0.470 6.933 4.128 1.00 0.00 O ATOM 878 CB GLU A 55 -1.527 7.651 6.660 1.00 0.00 C ATOM 879 CG GLU A 55 -2.810 8.318 7.131 1.00 0.00 C ATOM 880 CD GLU A 55 -2.639 9.803 7.383 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.538 10.210 7.808 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -3.607 10.560 7.157 1.00 0.00 O ATOM 0 H GLU A 55 -3.118 5.825 6.170 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.858 7.779 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.240 6.885 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.727 8.391 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.588 8.168 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.151 7.835 8.047 1.00 0.00 H new ATOM 889 N GLU A 56 -0.035 5.192 5.457 1.00 0.00 N ATOM 890 CA GLU A 56 1.221 4.488 5.197 1.00 0.00 C ATOM 891 C GLU A 56 1.411 4.184 3.711 1.00 0.00 C ATOM 892 O GLU A 56 2.506 4.354 3.174 1.00 0.00 O ATOM 893 CB GLU A 56 1.288 3.194 6.014 1.00 0.00 C ATOM 894 CG GLU A 56 0.075 2.296 5.846 1.00 0.00 C ATOM 895 CD GLU A 56 0.289 0.911 6.427 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.396 0.646 6.944 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 -0.650 0.090 6.365 1.00 0.00 O ATOM 0 H GLU A 56 -0.666 4.706 6.095 1.00 0.00 H new ATOM 0 HA GLU A 56 2.032 5.149 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.181 2.640 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.397 3.447 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.785 2.760 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.163 2.208 4.786 1.00 0.00 H new ATOM 904 N VAL A 57 0.350 3.734 3.049 1.00 0.00 N ATOM 905 CA VAL A 57 0.423 3.412 1.628 1.00 0.00 C ATOM 906 C VAL A 57 0.659 4.670 0.795 1.00 0.00 C ATOM 907 O VAL A 57 1.358 4.633 -0.217 1.00 0.00 O ATOM 908 CB VAL A 57 -0.845 2.676 1.135 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.988 3.646 0.873 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.528 1.859 -0.111 1.00 0.00 C ATOM 0 H VAL A 57 -0.566 3.584 3.471 1.00 0.00 H new ATOM 0 HA VAL A 57 1.270 2.739 1.498 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.170 1.998 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.862 3.094 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.234 4.176 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.688 4.364 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.428 1.346 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.171 2.522 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.243 1.124 0.122 1.00 0.00 H new ATOM 920 N LYS A 58 0.073 5.782 1.232 1.00 0.00 N ATOM 921 CA LYS A 58 0.218 7.056 0.534 1.00 0.00 C ATOM 922 C LYS A 58 1.692 7.406 0.352 1.00 0.00 C ATOM 923 O LYS A 58 2.078 8.016 -0.642 1.00 0.00 O ATOM 924 CB LYS A 58 -0.494 8.169 1.307 1.00 0.00 C ATOM 925 CG LYS A 58 -1.882 8.484 0.775 1.00 0.00 C ATOM 926 CD LYS A 58 -1.816 9.138 -0.596 1.00 0.00 C ATOM 927 CE LYS A 58 -1.441 10.608 -0.493 1.00 0.00 C ATOM 928 NZ LYS A 58 -2.140 11.432 -1.516 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.508 5.826 2.069 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.240 6.960 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.572 7.880 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.114 9.073 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.467 7.566 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.398 9.145 1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.085 8.617 -1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.781 9.041 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.689 10.977 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.363 10.717 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.857 12.427 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.883 11.097 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.168 11.349 -1.385 1.00 0.00 H new ATOM 942 N LYS A 59 2.508 7.019 1.322 1.00 0.00 N ATOM 943 CA LYS A 59 3.941 7.283 1.271 1.00 0.00 C ATOM 944 C LYS A 59 4.607 6.469 0.163 1.00 0.00 C ATOM 945 O LYS A 59 5.532 6.938 -0.498 1.00 0.00 O ATOM 946 CB LYS A 59 4.588 6.953 2.618 1.00 0.00 C ATOM 947 CG LYS A 59 3.889 7.597 3.804 1.00 0.00 C ATOM 948 CD LYS A 59 4.327 6.969 5.117 1.00 0.00 C ATOM 949 CE LYS A 59 3.437 7.407 6.268 1.00 0.00 C ATOM 950 NZ LYS A 59 3.832 6.763 7.552 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.202 6.519 2.157 1.00 0.00 H new ATOM 0 HA LYS A 59 4.082 8.342 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.593 5.871 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.629 7.277 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.107 8.665 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.810 7.493 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.301 5.883 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.360 7.247 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.488 8.491 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.401 7.158 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.201 7.088 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.759 5.730 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.813 7.021 7.783 1.00 0.00 H new ATOM 964 N LEU A 60 4.141 5.235 -0.013 1.00 0.00 N ATOM 965 CA LEU A 60 4.694 4.328 -1.020 1.00 0.00 C ATOM 966 C LEU A 60 4.595 4.902 -2.433 1.00 0.00 C ATOM 967 O LEU A 60 5.556 4.840 -3.201 1.00 0.00 O ATOM 968 CB LEU A 60 3.966 2.984 -0.954 1.00 0.00 C ATOM 969 CG LEU A 60 4.759 1.783 -1.469 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.204 2.011 -2.905 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.958 1.509 -0.573 1.00 0.00 C ATOM 0 H LEU A 60 3.376 4.837 0.532 1.00 0.00 H new ATOM 0 HA LEU A 60 5.752 4.193 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.683 2.794 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.043 3.062 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 60 4.109 0.908 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.767 1.145 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.329 2.154 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.836 2.898 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.510 0.651 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.610 2.383 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.615 1.297 0.440 1.00 0.00 H new ATOM 983 N GLU A 61 3.438 5.454 -2.779 1.00 0.00 N ATOM 984 CA GLU A 61 3.240 6.026 -4.109 1.00 0.00 C ATOM 985 C GLU A 61 4.077 7.287 -4.288 1.00 0.00 C ATOM 986 O GLU A 61 4.558 7.574 -5.384 1.00 0.00 O ATOM 987 CB GLU A 61 1.760 6.329 -4.362 1.00 0.00 C ATOM 988 CG GLU A 61 1.105 7.160 -3.273 1.00 0.00 C ATOM 989 CD GLU A 61 1.068 8.639 -3.608 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.096 9.169 -4.078 1.00 0.00 O ATOM 991 OE2 GLU A 61 0.008 9.267 -3.401 1.00 0.00 O1- ATOM 0 H GLU A 61 2.627 5.518 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 61 3.568 5.287 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.664 6.854 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.219 5.388 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.088 6.803 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.646 7.017 -2.338 1.00 0.00 H new ATOM 998 N GLU A 62 4.252 8.035 -3.203 1.00 0.00 N ATOM 999 CA GLU A 62 5.036 9.265 -3.237 1.00 0.00 C ATOM 1000 C GLU A 62 6.433 8.994 -3.783 1.00 0.00 C ATOM 1001 O GLU A 62 6.969 9.780 -4.565 1.00 0.00 O ATOM 1002 CB GLU A 62 5.131 9.875 -1.837 1.00 0.00 C ATOM 1003 CG GLU A 62 3.834 10.506 -1.359 1.00 0.00 C ATOM 1004 CD GLU A 62 3.600 11.881 -1.955 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.129 12.149 -3.053 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 2.888 12.688 -1.323 1.00 0.00 O ATOM 0 H GLU A 62 3.861 7.810 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 62 4.534 9.973 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.430 9.100 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.917 10.631 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.000 9.854 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.851 10.583 -0.272 1.00 0.00 H new ATOM 1013 N GLU A 63 7.010 7.870 -3.374 1.00 0.00 N ATOM 1014 CA GLU A 63 8.338 7.485 -3.831 1.00 0.00 C ATOM 1015 C GLU A 63 8.313 7.188 -5.324 1.00 0.00 C ATOM 1016 O GLU A 63 9.288 7.434 -6.036 1.00 0.00 O ATOM 1017 CB GLU A 63 8.834 6.259 -3.061 1.00 0.00 C ATOM 1018 CG GLU A 63 8.650 6.370 -1.556 1.00 0.00 C ATOM 1019 CD GLU A 63 9.293 7.615 -0.980 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.501 7.568 -0.666 1.00 0.00 O ATOM 1021 OE2 GLU A 63 8.589 8.638 -0.842 1.00 0.00 O1- ATOM 0 H GLU A 63 6.578 7.210 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 63 9.022 8.313 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.304 5.376 -3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.891 6.107 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.585 6.375 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.077 5.490 -1.076 1.00 0.00 H new ATOM 1028 N ILE A 64 7.185 6.663 -5.792 1.00 0.00 N ATOM 1029 CA ILE A 64 7.023 6.336 -7.205 1.00 0.00 C ATOM 1030 C ILE A 64 7.185 7.582 -8.070 1.00 0.00 C ATOM 1031 O ILE A 64 7.677 7.509 -9.196 1.00 0.00 O ATOM 1032 CB ILE A 64 5.644 5.702 -7.483 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.418 4.494 -6.572 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.527 5.296 -8.948 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.072 3.832 -6.770 1.00 0.00 C ATOM 0 H ILE A 64 6.370 6.455 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 64 7.799 5.614 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 64 4.874 6.444 -7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.204 3.761 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.509 4.810 -5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.548 4.851 -9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.645 6.176 -9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.304 4.570 -9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.981 2.984 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.279 4.550 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.985 3.485 -7.799 1.00 0.00 H new ATOM 1047 N LYS A 65 6.771 8.726 -7.536 1.00 0.00 N ATOM 1048 CA LYS A 65 6.877 9.988 -8.260 1.00 0.00 C ATOM 1049 C LYS A 65 8.336 10.407 -8.404 1.00 0.00 C ATOM 1050 O LYS A 65 8.707 11.079 -9.367 1.00 0.00 O ATOM 1051 CB LYS A 65 6.087 11.082 -7.539 1.00 0.00 C ATOM 1052 CG LYS A 65 4.583 10.974 -7.728 1.00 0.00 C ATOM 1053 CD LYS A 65 3.830 11.598 -6.563 1.00 0.00 C ATOM 1054 CE LYS A 65 2.326 11.537 -6.777 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.901 12.319 -7.971 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.360 8.806 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 65 6.457 9.846 -9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.314 11.040 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.421 12.056 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.295 11.469 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.302 9.925 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.089 11.078 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.140 12.636 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.018 10.498 -6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.818 11.921 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.870 12.451 -7.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.369 13.248 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.167 11.805 -8.835 1.00 0.00 H new ATOM 1069 N LYS A 66 9.159 10.006 -7.441 1.00 0.00 N ATOM 1070 CA LYS A 66 10.578 10.338 -7.460 1.00 0.00 C ATOM 1071 C LYS A 66 11.306 9.566 -8.556 1.00 0.00 C ATOM 1072 O LYS A 66 12.326 10.020 -9.075 1.00 0.00 O ATOM 1073 CB LYS A 66 11.212 10.035 -6.100 1.00 0.00 C ATOM 1074 CG LYS A 66 10.568 10.786 -4.947 1.00 0.00 C ATOM 1075 CD LYS A 66 11.315 12.074 -4.633 1.00 0.00 C ATOM 1076 CE LYS A 66 11.442 12.293 -3.135 1.00 0.00 C ATOM 1077 NZ LYS A 66 10.376 13.194 -2.613 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.867 9.450 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 66 10.672 11.404 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.145 8.964 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.272 10.286 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.532 11.016 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.550 10.150 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.308 12.039 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.792 12.918 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.389 11.333 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.420 12.720 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.498 13.318 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.442 14.119 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.443 12.775 -2.803 1.00 0.00 H new ATOM 1091 N LEU A 67 10.779 8.395 -8.902 1.00 0.00 N ATOM 1092 CA LEU A 67 11.382 7.563 -9.936 1.00 0.00 C ATOM 1093 C LEU A 67 10.646 7.722 -11.263 1.00 0.00 C ATOM 1094 O LEU A 67 9.409 7.891 -11.236 1.00 0.00 O ATOM 1095 CB LEU A 67 11.392 6.092 -9.500 1.00 0.00 C ATOM 1096 CG LEU A 67 10.071 5.339 -9.679 1.00 0.00 C ATOM 1097 CD1 LEU A 67 9.916 4.858 -11.114 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.992 4.168 -8.710 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.313 7.677 -12.318 1.00 0.00 O ATOM 0 H LEU A 67 9.937 8.002 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 67 12.411 7.891 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.166 5.570 -10.063 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.676 6.045 -8.449 1.00 0.00 H new ATOM 0 HG LEU A 67 9.252 6.025 -9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.971 4.326 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.927 5.715 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.739 4.189 -11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.047 3.643 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.819 3.483 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.053 4.538 -7.687 1.00 0.00 H new