USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 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 7 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 13 TYR OH : rot 130:sc= -1.28 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.568 F(o=-1.5,f=0.57) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.29 F(o=-3.1,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.125) USER MOD Single : A 33 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.2) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.52! C(o=-4.5!,f=-10!) USER MOD Single : A 62 SER OG : rot 92:sc= 0.978 USER MOD Single : A 67 GLN : amide:sc= 0.64 K(o=0.64,f=-1.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= -1.79! (180deg=-2.73!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 5.561 6.048 2.575 1.00 0.00 N ATOM 49 CA GLU A 4 4.885 7.077 3.346 1.00 0.00 C ATOM 50 C GLU A 4 3.467 6.625 3.705 1.00 0.00 C ATOM 51 O GLU A 4 2.977 6.914 4.796 1.00 0.00 O ATOM 52 CB GLU A 4 4.861 8.405 2.588 1.00 0.00 C ATOM 53 CG GLU A 4 5.336 9.554 3.479 1.00 0.00 C ATOM 54 CD GLU A 4 4.151 10.369 4.000 1.00 0.00 C ATOM 55 OE1 GLU A 4 3.472 9.861 4.919 1.00 0.00 O ATOM 56 OE2 GLU A 4 3.950 11.482 3.468 1.00 0.00 O ATOM 0 HA GLU A 4 5.441 7.235 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.499 8.336 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.850 8.608 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.906 9.156 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.008 10.202 2.916 1.00 0.00 H new ATOM 63 N GLU A 5 2.849 5.924 2.766 1.00 0.00 N ATOM 64 CA GLU A 5 1.497 5.430 2.969 1.00 0.00 C ATOM 65 C GLU A 5 1.485 4.346 4.049 1.00 0.00 C ATOM 66 O GLU A 5 0.521 4.227 4.803 1.00 0.00 O ATOM 67 CB GLU A 5 0.902 4.908 1.660 1.00 0.00 C ATOM 68 CG GLU A 5 -0.056 5.931 1.047 1.00 0.00 C ATOM 69 CD GLU A 5 -1.268 5.240 0.419 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.760 4.277 1.047 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.676 5.690 -0.673 1.00 0.00 O ATOM 0 H GLU A 5 3.259 5.686 1.863 1.00 0.00 H new ATOM 0 HA GLU A 5 0.875 6.259 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.703 4.687 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.372 3.973 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.389 6.629 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.466 6.516 0.290 1.00 0.00 H new ATOM 78 N LEU A 6 2.568 3.583 4.088 1.00 0.00 N ATOM 79 CA LEU A 6 2.694 2.513 5.062 1.00 0.00 C ATOM 80 C LEU A 6 2.656 3.105 6.472 1.00 0.00 C ATOM 81 O LEU A 6 1.996 2.566 7.359 1.00 0.00 O ATOM 82 CB LEU A 6 3.944 1.676 4.780 1.00 0.00 C ATOM 83 CG LEU A 6 3.796 0.589 3.713 1.00 0.00 C ATOM 84 CD1 LEU A 6 5.162 0.172 3.163 1.00 0.00 C ATOM 85 CD2 LEU A 6 3.006 -0.605 4.251 1.00 0.00 C ATOM 0 H LEU A 6 3.366 3.685 3.461 1.00 0.00 H new ATOM 0 HA LEU A 6 1.853 1.825 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.747 2.348 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.258 1.204 5.711 1.00 0.00 H new ATOM 0 HG LEU A 6 3.226 1.003 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.029 -0.601 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.653 1.036 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.778 -0.216 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.916 -1.362 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.526 -1.028 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.012 -0.277 4.555 1.00 0.00 H new ATOM 97 N LYS A 7 3.374 4.207 6.636 1.00 0.00 N ATOM 98 CA LYS A 7 3.430 4.879 7.923 1.00 0.00 C ATOM 99 C LYS A 7 2.014 5.258 8.359 1.00 0.00 C ATOM 100 O LYS A 7 1.558 4.850 9.426 1.00 0.00 O ATOM 101 CB LYS A 7 4.395 6.065 7.866 1.00 0.00 C ATOM 102 CG LYS A 7 5.164 6.210 9.181 1.00 0.00 C ATOM 103 CD LYS A 7 4.528 7.277 10.074 1.00 0.00 C ATOM 104 CE LYS A 7 4.204 6.712 11.458 1.00 0.00 C ATOM 105 NZ LYS A 7 4.371 7.755 12.495 1.00 0.00 N ATOM 0 H LYS A 7 3.922 4.651 5.899 1.00 0.00 H new ATOM 0 HA LYS A 7 3.829 4.209 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.097 5.928 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.840 6.981 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.179 5.254 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.200 6.476 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.206 8.125 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.617 7.651 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.181 6.336 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.858 5.867 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.147 7.355 13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.354 8.095 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.729 8.549 12.296 1.00 0.00 H new ATOM 119 N GLY A 8 1.356 6.035 7.510 1.00 0.00 N ATOM 120 CA GLY A 8 0.001 6.474 7.794 1.00 0.00 C ATOM 121 C GLY A 8 -0.928 5.278 8.015 1.00 0.00 C ATOM 122 O GLY A 8 -1.656 5.228 9.005 1.00 0.00 O ATOM 0 H GLY A 8 1.737 6.371 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.001 7.109 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.370 7.079 6.967 1.00 0.00 H new ATOM 126 N ILE A 9 -0.872 4.345 7.076 1.00 0.00 N ATOM 127 CA ILE A 9 -1.699 3.153 7.156 1.00 0.00 C ATOM 128 C ILE A 9 -1.477 2.473 8.509 1.00 0.00 C ATOM 129 O ILE A 9 -2.433 2.186 9.228 1.00 0.00 O ATOM 130 CB ILE A 9 -1.438 2.238 5.958 1.00 0.00 C ATOM 131 CG1 ILE A 9 -2.370 2.579 4.794 1.00 0.00 C ATOM 132 CG2 ILE A 9 -1.538 0.765 6.360 1.00 0.00 C ATOM 133 CD1 ILE A 9 -2.025 1.752 3.554 1.00 0.00 C ATOM 0 H ILE A 9 -0.267 4.390 6.256 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.755 3.418 7.101 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.418 2.409 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.404 2.391 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.292 3.641 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.348 0.137 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.800 0.548 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.537 0.560 6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.703 2.014 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.999 1.960 3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.127 0.691 3.784 1.00 0.00 H new ATOM 145 N PHE A 10 -0.210 2.234 8.814 1.00 0.00 N ATOM 146 CA PHE A 10 0.150 1.593 10.067 1.00 0.00 C ATOM 147 C PHE A 10 -0.502 2.306 11.254 1.00 0.00 C ATOM 148 O PHE A 10 -1.201 1.681 12.050 1.00 0.00 O ATOM 149 CB PHE A 10 1.671 1.693 10.200 1.00 0.00 C ATOM 150 CG PHE A 10 2.175 1.624 11.643 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.250 2.756 12.392 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.549 0.430 12.177 1.00 0.00 C ATOM 153 CE1 PHE A 10 2.718 2.692 13.731 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.017 0.366 13.516 1.00 0.00 C ATOM 155 CZ PHE A 10 3.092 1.498 14.265 1.00 0.00 C ATOM 0 H PHE A 10 0.580 2.473 8.215 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.191 0.558 10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.129 0.887 9.627 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.004 2.630 9.754 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.954 3.704 11.968 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.490 -0.470 11.582 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.777 3.592 14.326 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.313 -0.582 13.940 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.448 1.449 15.283 1.00 0.00 H new ATOM 165 N GLU A 11 -0.249 3.604 11.335 1.00 0.00 N ATOM 166 CA GLU A 11 -0.803 4.408 12.412 1.00 0.00 C ATOM 167 C GLU A 11 -2.331 4.401 12.347 1.00 0.00 C ATOM 168 O GLU A 11 -2.999 4.310 13.376 1.00 0.00 O ATOM 169 CB GLU A 11 -0.258 5.837 12.364 1.00 0.00 C ATOM 170 CG GLU A 11 0.646 6.120 13.566 1.00 0.00 C ATOM 171 CD GLU A 11 0.796 7.625 13.797 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.149 8.317 12.817 1.00 0.00 O ATOM 173 OE2 GLU A 11 0.555 8.049 14.947 1.00 0.00 O ATOM 0 H GLU A 11 0.332 4.119 10.673 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.498 3.969 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.302 5.986 11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.086 6.546 12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.229 5.651 14.457 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.627 5.674 13.401 1.00 0.00 H new ATOM 180 N LYS A 12 -2.841 4.500 11.128 1.00 0.00 N ATOM 181 CA LYS A 12 -4.278 4.506 10.916 1.00 0.00 C ATOM 182 C LYS A 12 -4.895 3.282 11.596 1.00 0.00 C ATOM 183 O LYS A 12 -6.063 3.305 11.982 1.00 0.00 O ATOM 184 CB LYS A 12 -4.599 4.608 9.424 1.00 0.00 C ATOM 185 CG LYS A 12 -6.032 5.097 9.203 1.00 0.00 C ATOM 186 CD LYS A 12 -6.808 4.134 8.302 1.00 0.00 C ATOM 187 CE LYS A 12 -8.317 4.319 8.473 1.00 0.00 C ATOM 188 NZ LYS A 12 -8.917 3.125 9.110 1.00 0.00 N ATOM 0 H LYS A 12 -2.284 4.577 10.277 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.727 5.386 11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.899 5.292 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.467 3.634 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.540 5.191 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.016 6.089 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.533 4.303 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.535 3.106 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.514 5.201 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.781 4.492 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.941 3.267 9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.745 2.290 8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.487 2.978 10.045 1.00 0.00 H new ATOM 202 N TYR A 13 -4.083 2.243 11.721 1.00 0.00 N ATOM 203 CA TYR A 13 -4.535 1.012 12.348 1.00 0.00 C ATOM 204 C TYR A 13 -4.149 0.976 13.828 1.00 0.00 C ATOM 205 O TYR A 13 -4.939 0.549 14.669 1.00 0.00 O ATOM 206 CB TYR A 13 -3.812 -0.122 11.618 1.00 0.00 C ATOM 207 CG TYR A 13 -4.635 -0.766 10.500 1.00 0.00 C ATOM 208 CD1 TYR A 13 -5.482 -1.818 10.784 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.530 -0.295 9.207 1.00 0.00 C ATOM 210 CE1 TYR A 13 -6.256 -2.424 9.732 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.304 -0.900 8.154 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.128 -1.935 8.469 1.00 0.00 C ATOM 213 OH TYR A 13 -6.859 -2.507 7.475 1.00 0.00 O ATOM 0 H TYR A 13 -3.115 2.228 11.399 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.620 0.926 12.286 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.884 0.264 11.196 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.538 -0.890 12.342 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.564 -2.187 11.796 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.867 0.528 8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.923 -3.248 9.941 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.232 -0.540 7.138 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.325 -1.809 6.968 1.00 0.00 H new ATOM 223 N ALA A 14 -2.935 1.432 14.102 1.00 0.00 N ATOM 224 CA ALA A 14 -2.436 1.457 15.466 1.00 0.00 C ATOM 225 C ALA A 14 -3.306 2.395 16.305 1.00 0.00 C ATOM 226 O ALA A 14 -3.339 2.286 17.530 1.00 0.00 O ATOM 227 CB ALA A 14 -0.964 1.875 15.463 1.00 0.00 C ATOM 0 H ALA A 14 -2.283 1.787 13.403 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.493 0.465 15.914 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.589 1.894 16.486 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.384 1.162 14.877 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.869 2.868 15.023 1.00 0.00 H new ATOM 233 N ALA A 15 -3.989 3.295 15.613 1.00 0.00 N ATOM 234 CA ALA A 15 -4.857 4.250 16.280 1.00 0.00 C ATOM 235 C ALA A 15 -6.226 3.611 16.517 1.00 0.00 C ATOM 236 O ALA A 15 -6.978 4.048 17.387 1.00 0.00 O ATOM 237 CB ALA A 15 -4.947 5.528 15.443 1.00 0.00 C ATOM 0 H ALA A 15 -3.959 3.383 14.597 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.449 4.525 17.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.598 6.245 15.943 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.952 5.959 15.329 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.355 5.291 14.460 1.00 0.00 H new ATOM 243 N LYS A 16 -6.509 2.585 15.727 1.00 0.00 N ATOM 244 CA LYS A 16 -7.775 1.881 15.840 1.00 0.00 C ATOM 245 C LYS A 16 -7.964 1.409 17.283 1.00 0.00 C ATOM 246 O LYS A 16 -8.875 1.862 17.973 1.00 0.00 O ATOM 247 CB LYS A 16 -7.855 0.753 14.808 1.00 0.00 C ATOM 248 CG LYS A 16 -9.158 0.831 14.010 1.00 0.00 C ATOM 249 CD LYS A 16 -9.400 -0.462 13.229 1.00 0.00 C ATOM 250 CE LYS A 16 -10.897 -0.736 13.071 1.00 0.00 C ATOM 251 NZ LYS A 16 -11.455 0.063 11.958 1.00 0.00 N ATOM 0 H LYS A 16 -5.883 2.225 15.006 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.605 2.550 15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.004 0.815 14.129 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.790 -0.211 15.312 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.993 1.013 14.687 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.117 1.674 13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.934 -0.390 12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.926 -1.297 13.746 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.061 -1.797 12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.417 -0.493 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.472 -0.135 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.316 1.075 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.970 -0.189 11.073 1.00 0.00 H new ATOM 265 N GLU A 17 -7.089 0.504 17.695 1.00 0.00 N ATOM 266 CA GLU A 17 -7.148 -0.034 19.044 1.00 0.00 C ATOM 267 C GLU A 17 -5.848 0.266 19.793 1.00 0.00 C ATOM 268 O GLU A 17 -4.759 0.008 19.282 1.00 0.00 O ATOM 269 CB GLU A 17 -7.433 -1.537 19.022 1.00 0.00 C ATOM 270 CG GLU A 17 -8.886 -1.814 18.627 1.00 0.00 C ATOM 271 CD GLU A 17 -9.528 -2.829 19.575 1.00 0.00 C ATOM 272 OE1 GLU A 17 -8.895 -3.885 19.788 1.00 0.00 O ATOM 273 OE2 GLU A 17 -10.637 -2.525 20.065 1.00 0.00 O ATOM 0 H GLU A 17 -6.335 0.129 17.119 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.969 0.451 19.572 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.761 -2.028 18.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.232 -1.963 20.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.455 -0.884 18.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.923 -2.191 17.605 1.00 0.00 H new ATOM 280 N GLY A 18 -6.005 0.808 20.991 1.00 0.00 N ATOM 281 CA GLY A 18 -4.858 1.147 21.816 1.00 0.00 C ATOM 282 C GLY A 18 -4.039 2.273 21.181 1.00 0.00 C ATOM 283 O GLY A 18 -4.387 2.771 20.111 1.00 0.00 O ATOM 0 H GLY A 18 -6.910 1.021 21.411 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.196 1.452 22.807 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.229 0.267 21.951 1.00 0.00 H new ATOM 287 N ASP A 19 -2.966 2.640 21.866 1.00 0.00 N ATOM 288 CA ASP A 19 -2.096 3.698 21.382 1.00 0.00 C ATOM 289 C ASP A 19 -1.554 3.316 20.003 1.00 0.00 C ATOM 290 O ASP A 19 -1.189 2.164 19.773 1.00 0.00 O ATOM 291 CB ASP A 19 -0.903 3.901 22.319 1.00 0.00 C ATOM 292 CG ASP A 19 -0.374 5.335 22.390 1.00 0.00 C ATOM 293 OD1 ASP A 19 0.341 5.724 21.441 1.00 0.00 O ATOM 294 OD2 ASP A 19 -0.696 6.010 23.391 1.00 0.00 O ATOM 0 H ASP A 19 -2.679 2.224 22.752 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.678 4.618 21.334 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.190 3.585 23.322 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.093 3.246 21.998 1.00 0.00 H new ATOM 299 N PRO A 20 -1.517 4.330 19.099 1.00 0.00 N ATOM 300 CA PRO A 20 -1.025 4.112 17.749 1.00 0.00 C ATOM 301 C PRO A 20 0.500 3.996 17.733 1.00 0.00 C ATOM 302 O PRO A 20 1.099 3.779 16.680 1.00 0.00 O ATOM 303 CB PRO A 20 -1.540 5.296 16.946 1.00 0.00 C ATOM 304 CG PRO A 20 -1.902 6.364 17.966 1.00 0.00 C ATOM 305 CD PRO A 20 -1.940 5.707 19.336 1.00 0.00 C ATOM 0 HA PRO A 20 -1.377 3.174 17.320 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.780 5.659 16.253 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.408 5.016 16.349 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.169 7.171 17.950 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.869 6.807 17.728 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.273 6.211 20.035 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.941 5.745 19.766 1.00 0.00 H new ATOM 313 N ASN A 21 1.086 4.146 18.912 1.00 0.00 N ATOM 314 CA ASN A 21 2.530 4.061 19.046 1.00 0.00 C ATOM 315 C ASN A 21 2.923 2.619 19.373 1.00 0.00 C ATOM 316 O ASN A 21 4.101 2.322 19.566 1.00 0.00 O ATOM 317 CB ASN A 21 3.031 4.956 20.181 1.00 0.00 C ATOM 318 CG ASN A 21 2.844 6.435 19.836 1.00 0.00 C ATOM 319 OD1 ASN A 21 3.708 6.894 18.936 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 1.973 7.115 20.354 1.00 0.00 N flip ATOM 0 H ASN A 21 0.587 4.326 19.783 1.00 0.00 H new ATOM 0 HA ASN A 21 2.976 4.386 18.106 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.492 4.722 21.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.085 4.753 20.370 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.342 6.700 21.039 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.876 8.099 20.102 1.00 0.00 H new ATOM 327 N GLN A 22 1.915 1.761 19.424 1.00 0.00 N ATOM 328 CA GLN A 22 2.140 0.358 19.724 1.00 0.00 C ATOM 329 C GLN A 22 1.083 -0.509 19.036 1.00 0.00 C ATOM 330 O GLN A 22 -0.113 -0.248 19.157 1.00 0.00 O ATOM 331 CB GLN A 22 2.150 0.114 21.234 1.00 0.00 C ATOM 332 CG GLN A 22 1.029 0.895 21.923 1.00 0.00 C ATOM 333 CD GLN A 22 1.580 1.756 23.061 1.00 0.00 C ATOM 334 OE1 GLN A 22 2.403 2.722 22.660 1.00 0.00 O flip ATOM 335 NE2 GLN A 22 1.278 1.557 24.226 1.00 0.00 N flip ATOM 0 H GLN A 22 0.939 2.011 19.262 1.00 0.00 H new ATOM 0 HA GLN A 22 3.120 0.078 19.337 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.033 -0.951 21.435 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.113 0.412 21.648 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.522 1.529 21.195 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.285 0.201 22.315 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.640 0.798 24.465 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.663 2.150 24.961 1.00 0.00 H new ATOM 344 N LEU A 23 1.563 -1.521 18.328 1.00 0.00 N ATOM 345 CA LEU A 23 0.674 -2.427 17.621 1.00 0.00 C ATOM 346 C LEU A 23 0.363 -3.630 18.514 1.00 0.00 C ATOM 347 O LEU A 23 1.203 -4.052 19.307 1.00 0.00 O ATOM 348 CB LEU A 23 1.267 -2.807 16.262 1.00 0.00 C ATOM 349 CG LEU A 23 1.133 -1.759 15.156 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.203 -1.901 14.425 1.00 0.00 C ATOM 351 CD2 LEU A 23 1.336 -0.347 15.710 1.00 0.00 C ATOM 0 H LEU A 23 2.556 -1.733 18.229 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.275 -1.937 17.404 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.325 -3.029 16.399 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.790 -3.727 15.924 1.00 0.00 H new ATOM 0 HG LEU A 23 1.921 -1.934 14.423 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.273 -1.144 13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.269 -2.892 13.977 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.021 -1.768 15.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.235 0.379 14.903 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.586 -0.145 16.475 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.331 -0.267 16.147 1.00 0.00 H new ATOM 363 N SER A 24 -0.846 -4.147 18.355 1.00 0.00 N ATOM 364 CA SER A 24 -1.279 -5.293 19.137 1.00 0.00 C ATOM 365 C SER A 24 -1.611 -6.464 18.210 1.00 0.00 C ATOM 366 O SER A 24 -1.790 -6.277 17.007 1.00 0.00 O ATOM 367 CB SER A 24 -2.490 -4.943 20.004 1.00 0.00 C ATOM 368 OG SER A 24 -2.132 -4.129 21.117 1.00 0.00 O ATOM 0 H SER A 24 -1.540 -3.794 17.696 1.00 0.00 H new ATOM 0 HA SER A 24 -0.463 -5.582 19.800 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.232 -4.423 19.398 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.957 -5.861 20.361 1.00 0.00 H new ATOM 0 HG SER A 24 -2.932 -3.926 21.645 1.00 0.00 H new ATOM 374 N LYS A 25 -1.682 -7.646 18.805 1.00 0.00 N ATOM 375 CA LYS A 25 -1.989 -8.847 18.047 1.00 0.00 C ATOM 376 C LYS A 25 -3.303 -8.646 17.290 1.00 0.00 C ATOM 377 O LYS A 25 -3.333 -8.713 16.063 1.00 0.00 O ATOM 378 CB LYS A 25 -1.988 -10.073 18.963 1.00 0.00 C ATOM 379 CG LYS A 25 -2.261 -11.352 18.168 1.00 0.00 C ATOM 380 CD LYS A 25 -3.074 -12.349 18.996 1.00 0.00 C ATOM 381 CE LYS A 25 -2.286 -13.638 19.231 1.00 0.00 C ATOM 382 NZ LYS A 25 -2.848 -14.389 20.376 1.00 0.00 N ATOM 0 H LYS A 25 -1.532 -7.797 19.803 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.217 -9.034 17.301 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.025 -10.153 19.468 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.746 -9.953 19.738 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.801 -11.108 17.253 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.317 -11.807 17.869 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.339 -11.901 19.954 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.008 -12.578 18.482 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.314 -14.257 18.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.239 -13.401 19.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.561 -15.387 20.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.492 -13.984 21.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.886 -14.325 20.357 1.00 0.00 H new ATOM 396 N GLU A 26 -4.358 -8.404 18.055 1.00 0.00 N ATOM 397 CA GLU A 26 -5.672 -8.192 17.472 1.00 0.00 C ATOM 398 C GLU A 26 -5.618 -7.068 16.436 1.00 0.00 C ATOM 399 O GLU A 26 -6.255 -7.155 15.387 1.00 0.00 O ATOM 400 CB GLU A 26 -6.710 -7.891 18.555 1.00 0.00 C ATOM 401 CG GLU A 26 -7.811 -8.954 18.569 1.00 0.00 C ATOM 402 CD GLU A 26 -9.191 -8.312 18.729 1.00 0.00 C ATOM 403 OE1 GLU A 26 -9.271 -7.321 19.486 1.00 0.00 O ATOM 404 OE2 GLU A 26 -10.133 -8.827 18.089 1.00 0.00 O ATOM 0 H GLU A 26 -4.329 -8.350 19.073 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.977 -9.109 16.968 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.224 -7.853 19.530 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.150 -6.909 18.380 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.778 -9.529 17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.635 -9.654 19.385 1.00 0.00 H new ATOM 411 N GLU A 27 -4.853 -6.038 16.766 1.00 0.00 N ATOM 412 CA GLU A 27 -4.707 -4.898 15.877 1.00 0.00 C ATOM 413 C GLU A 27 -4.046 -5.328 14.566 1.00 0.00 C ATOM 414 O GLU A 27 -4.591 -5.100 13.487 1.00 0.00 O ATOM 415 CB GLU A 27 -3.914 -3.776 16.549 1.00 0.00 C ATOM 416 CG GLU A 27 -4.834 -2.623 16.958 1.00 0.00 C ATOM 417 CD GLU A 27 -4.367 -1.304 16.339 1.00 0.00 C ATOM 418 OE1 GLU A 27 -3.668 -1.378 15.306 1.00 0.00 O ATOM 419 OE2 GLU A 27 -4.719 -0.251 16.915 1.00 0.00 O ATOM 0 H GLU A 27 -4.327 -5.969 17.637 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.700 -4.510 15.650 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.400 -4.165 17.428 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.147 -3.409 15.867 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.855 -2.837 16.640 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.850 -2.534 18.044 1.00 0.00 H new ATOM 426 N LEU A 28 -2.879 -5.941 14.702 1.00 0.00 N ATOM 427 CA LEU A 28 -2.138 -6.405 13.542 1.00 0.00 C ATOM 428 C LEU A 28 -3.034 -7.314 12.699 1.00 0.00 C ATOM 429 O LEU A 28 -3.020 -7.239 11.471 1.00 0.00 O ATOM 430 CB LEU A 28 -0.826 -7.064 13.973 1.00 0.00 C ATOM 431 CG LEU A 28 0.358 -6.889 13.020 1.00 0.00 C ATOM 432 CD1 LEU A 28 0.341 -5.502 12.374 1.00 0.00 C ATOM 433 CD2 LEU A 28 1.682 -7.174 13.731 1.00 0.00 C ATOM 0 H LEU A 28 -2.429 -6.127 15.598 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.853 -5.563 12.911 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.545 -6.664 14.947 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.005 -8.131 14.106 1.00 0.00 H new ATOM 0 HG LEU A 28 0.261 -7.620 12.217 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.193 -5.403 11.701 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.583 -5.374 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.401 -4.739 13.150 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.507 -7.042 13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.802 -6.485 14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.682 -8.199 14.103 1.00 0.00 H new ATOM 445 N LYS A 29 -3.793 -8.151 13.391 1.00 0.00 N ATOM 446 CA LYS A 29 -4.694 -9.073 12.721 1.00 0.00 C ATOM 447 C LYS A 29 -5.478 -8.321 11.644 1.00 0.00 C ATOM 448 O LYS A 29 -5.431 -8.684 10.470 1.00 0.00 O ATOM 449 CB LYS A 29 -5.581 -9.790 13.740 1.00 0.00 C ATOM 450 CG LYS A 29 -6.524 -10.777 13.048 1.00 0.00 C ATOM 451 CD LYS A 29 -7.044 -11.823 14.035 1.00 0.00 C ATOM 452 CE LYS A 29 -8.549 -11.664 14.261 1.00 0.00 C ATOM 453 NZ LYS A 29 -8.841 -10.369 14.915 1.00 0.00 N ATOM 0 H LYS A 29 -3.802 -8.210 14.409 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.130 -9.857 12.216 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.958 -10.321 14.460 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.162 -9.058 14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.363 -10.237 12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.001 -11.272 12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.833 -12.823 13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.518 -11.725 14.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.074 -11.723 13.308 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.918 -12.482 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.748 -10.432 15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.084 -10.143 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.896 -9.621 14.195 1.00 0.00 H new ATOM 467 N LEU A 30 -6.181 -7.287 12.083 1.00 0.00 N ATOM 468 CA LEU A 30 -6.974 -6.480 11.171 1.00 0.00 C ATOM 469 C LEU A 30 -6.086 -5.990 10.026 1.00 0.00 C ATOM 470 O LEU A 30 -6.378 -6.242 8.857 1.00 0.00 O ATOM 471 CB LEU A 30 -7.679 -5.353 11.928 1.00 0.00 C ATOM 472 CG LEU A 30 -8.598 -5.786 13.072 1.00 0.00 C ATOM 473 CD1 LEU A 30 -9.691 -4.745 13.321 1.00 0.00 C ATOM 474 CD2 LEU A 30 -9.179 -7.177 12.813 1.00 0.00 C ATOM 0 H LEU A 30 -6.218 -6.990 13.058 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.768 -7.079 10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.920 -4.683 12.332 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.267 -4.775 11.215 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.002 -5.851 13.982 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.330 -5.077 14.139 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.232 -3.792 13.583 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.290 -4.624 12.419 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.828 -7.460 13.641 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.756 -7.164 11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.368 -7.900 12.725 1.00 0.00 H new ATOM 486 N LEU A 31 -5.019 -5.299 10.400 1.00 0.00 N ATOM 487 CA LEU A 31 -4.087 -4.771 9.419 1.00 0.00 C ATOM 488 C LEU A 31 -3.702 -5.882 8.439 1.00 0.00 C ATOM 489 O LEU A 31 -4.029 -5.810 7.255 1.00 0.00 O ATOM 490 CB LEU A 31 -2.888 -4.122 10.114 1.00 0.00 C ATOM 491 CG LEU A 31 -2.148 -3.050 9.312 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.864 -1.819 10.174 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.872 -3.617 8.685 1.00 0.00 C ATOM 0 H LEU A 31 -4.779 -5.093 11.370 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.556 -3.978 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.232 -3.677 11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.178 -4.906 10.377 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.794 -2.729 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.337 -1.072 9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.805 -1.400 10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.247 -2.106 11.026 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.365 -2.834 8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.212 -3.983 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.129 -4.438 8.016 1.00 0.00 H new ATOM 505 N LEU A 32 -3.014 -6.882 8.968 1.00 0.00 N ATOM 506 CA LEU A 32 -2.581 -8.006 8.155 1.00 0.00 C ATOM 507 C LEU A 32 -3.760 -8.507 7.317 1.00 0.00 C ATOM 508 O LEU A 32 -3.564 -9.124 6.271 1.00 0.00 O ATOM 509 CB LEU A 32 -1.945 -9.088 9.030 1.00 0.00 C ATOM 510 CG LEU A 32 -0.792 -8.633 9.927 1.00 0.00 C ATOM 511 CD1 LEU A 32 -0.497 -9.672 11.010 1.00 0.00 C ATOM 512 CD2 LEU A 32 0.450 -8.301 9.096 1.00 0.00 C ATOM 0 H LEU A 32 -2.745 -6.938 9.950 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.803 -7.695 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.722 -9.520 9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.582 -9.885 8.381 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.094 -7.717 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.326 -9.324 11.634 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.384 -9.816 11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.223 -10.618 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.255 -7.980 9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.765 -9.186 8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.215 -7.500 8.395 1.00 0.00 H new ATOM 524 N GLN A 33 -4.957 -8.222 7.808 1.00 0.00 N ATOM 525 CA GLN A 33 -6.166 -8.636 7.117 1.00 0.00 C ATOM 526 C GLN A 33 -6.319 -7.864 5.805 1.00 0.00 C ATOM 527 O GLN A 33 -6.357 -8.462 4.730 1.00 0.00 O ATOM 528 CB GLN A 33 -7.397 -8.451 8.008 1.00 0.00 C ATOM 529 CG GLN A 33 -8.296 -9.688 7.965 1.00 0.00 C ATOM 530 CD GLN A 33 -8.986 -9.912 9.312 1.00 0.00 C ATOM 531 OE1 GLN A 33 -8.423 -9.688 10.372 1.00 0.00 O ATOM 532 NE2 GLN A 33 -10.232 -10.364 9.213 1.00 0.00 N ATOM 0 H GLN A 33 -5.115 -7.710 8.676 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.082 -9.697 6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.082 -8.261 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.959 -7.577 7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.046 -9.569 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.702 -10.565 7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.643 -10.530 8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.777 -10.545 10.056 1.00 0.00 H new ATOM 541 N THR A 34 -6.402 -6.548 5.935 1.00 0.00 N ATOM 542 CA THR A 34 -6.550 -5.689 4.773 1.00 0.00 C ATOM 543 C THR A 34 -5.181 -5.377 4.164 1.00 0.00 C ATOM 544 O THR A 34 -4.986 -5.525 2.958 1.00 0.00 O ATOM 545 CB THR A 34 -7.322 -4.441 5.203 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.640 -4.659 4.706 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.853 -3.181 4.473 1.00 0.00 C ATOM 0 H THR A 34 -6.370 -6.056 6.828 1.00 0.00 H new ATOM 0 HA THR A 34 -7.117 -6.184 3.985 1.00 0.00 H new ATOM 0 HB THR A 34 -7.212 -4.300 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.209 -3.897 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.434 -2.325 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.797 -3.011 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.994 -3.309 3.400 1.00 0.00 H new ATOM 555 N GLU A 35 -4.269 -4.951 5.025 1.00 0.00 N ATOM 556 CA GLU A 35 -2.925 -4.617 4.586 1.00 0.00 C ATOM 557 C GLU A 35 -2.375 -5.716 3.675 1.00 0.00 C ATOM 558 O GLU A 35 -2.041 -5.459 2.519 1.00 0.00 O ATOM 559 CB GLU A 35 -2.000 -4.383 5.783 1.00 0.00 C ATOM 560 CG GLU A 35 -0.538 -4.300 5.338 1.00 0.00 C ATOM 561 CD GLU A 35 -0.294 -3.051 4.488 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.069 -2.859 3.527 1.00 0.00 O ATOM 563 OE2 GLU A 35 0.663 -2.318 4.819 1.00 0.00 O ATOM 0 H GLU A 35 -4.434 -4.829 6.024 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.970 -3.689 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.282 -3.461 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.119 -5.192 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.112 -4.282 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.277 -5.190 4.766 1.00 0.00 H new ATOM 570 N PHE A 36 -2.297 -6.916 4.229 1.00 0.00 N ATOM 571 CA PHE A 36 -1.794 -8.055 3.481 1.00 0.00 C ATOM 572 C PHE A 36 -2.422 -9.359 3.978 1.00 0.00 C ATOM 573 O PHE A 36 -1.894 -10.001 4.884 1.00 0.00 O ATOM 574 CB PHE A 36 -0.283 -8.110 3.713 1.00 0.00 C ATOM 575 CG PHE A 36 0.548 -7.632 2.521 1.00 0.00 C ATOM 576 CD1 PHE A 36 0.637 -6.303 2.243 1.00 0.00 C ATOM 577 CD2 PHE A 36 1.197 -8.535 1.738 1.00 0.00 C ATOM 578 CE1 PHE A 36 1.408 -5.859 1.137 1.00 0.00 C ATOM 579 CE2 PHE A 36 1.968 -8.090 0.631 1.00 0.00 C ATOM 580 CZ PHE A 36 2.057 -6.762 0.354 1.00 0.00 C ATOM 0 H PHE A 36 -2.574 -7.125 5.188 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.040 -7.944 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.037 -7.500 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.000 -9.135 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.121 -5.586 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.126 -9.590 1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.479 -4.804 0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.484 -8.807 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.643 -6.424 -0.488 1.00 0.00 H new ATOM 590 N PRO A 37 -3.571 -9.721 3.346 1.00 0.00 N ATOM 591 CA PRO A 37 -4.276 -10.937 3.714 1.00 0.00 C ATOM 592 C PRO A 37 -3.552 -12.174 3.181 1.00 0.00 C ATOM 593 O PRO A 37 -4.004 -13.299 3.387 1.00 0.00 O ATOM 594 CB PRO A 37 -5.673 -10.771 3.137 1.00 0.00 C ATOM 595 CG PRO A 37 -5.560 -9.688 2.077 1.00 0.00 C ATOM 596 CD PRO A 37 -4.225 -8.986 2.268 1.00 0.00 C ATOM 0 HA PRO A 37 -4.320 -11.088 4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.030 -11.705 2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.384 -10.486 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.624 -10.122 1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.381 -8.977 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.631 -9.010 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.363 -7.937 2.531 1.00 0.00 H new ATOM 604 N SER A 38 -2.440 -11.924 2.505 1.00 0.00 N ATOM 605 CA SER A 38 -1.649 -13.004 1.940 1.00 0.00 C ATOM 606 C SER A 38 -0.666 -13.535 2.986 1.00 0.00 C ATOM 607 O SER A 38 -0.360 -14.726 3.007 1.00 0.00 O ATOM 608 CB SER A 38 -0.896 -12.541 0.691 1.00 0.00 C ATOM 609 OG SER A 38 -0.773 -13.582 -0.274 1.00 0.00 O ATOM 0 H SER A 38 -2.068 -10.989 2.336 1.00 0.00 H new ATOM 0 HA SER A 38 -2.326 -13.806 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.418 -11.694 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.096 -12.191 0.975 1.00 0.00 H new ATOM 0 HG SER A 38 -0.288 -13.247 -1.057 1.00 0.00 H new ATOM 615 N LEU A 39 -0.199 -12.625 3.828 1.00 0.00 N ATOM 616 CA LEU A 39 0.743 -12.986 4.874 1.00 0.00 C ATOM 617 C LEU A 39 0.037 -13.865 5.909 1.00 0.00 C ATOM 618 O LEU A 39 0.688 -14.581 6.667 1.00 0.00 O ATOM 619 CB LEU A 39 1.390 -11.734 5.469 1.00 0.00 C ATOM 620 CG LEU A 39 2.907 -11.622 5.307 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.634 -12.379 6.420 1.00 0.00 C ATOM 622 CD2 LEU A 39 3.347 -12.085 3.917 1.00 0.00 C ATOM 0 H LEU A 39 -0.455 -11.638 3.807 1.00 0.00 H new ATOM 0 HA LEU A 39 1.563 -13.574 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.930 -10.859 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.154 -11.698 6.533 1.00 0.00 H new ATOM 0 HG LEU A 39 3.183 -10.571 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.711 -12.284 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.354 -11.961 7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.356 -13.432 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.430 -11.995 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.057 -13.125 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.869 -11.465 3.159 1.00 0.00 H new ATOM 634 N LEU A 40 -1.285 -13.780 5.907 1.00 0.00 N ATOM 635 CA LEU A 40 -2.087 -14.558 6.836 1.00 0.00 C ATOM 636 C LEU A 40 -2.108 -16.020 6.384 1.00 0.00 C ATOM 637 O LEU A 40 -2.234 -16.925 7.207 1.00 0.00 O ATOM 638 CB LEU A 40 -3.478 -13.941 6.990 1.00 0.00 C ATOM 639 CG LEU A 40 -3.534 -12.573 7.673 1.00 0.00 C ATOM 640 CD1 LEU A 40 -4.913 -11.933 7.508 1.00 0.00 C ATOM 641 CD2 LEU A 40 -3.123 -12.678 9.144 1.00 0.00 C ATOM 0 H LEU A 40 -1.821 -13.184 5.276 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.644 -14.538 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.924 -13.849 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.100 -14.634 7.557 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.815 -11.917 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.925 -10.962 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.129 -11.803 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.669 -12.578 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.171 -11.692 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.800 -13.356 9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.105 -13.061 9.211 1.00 0.00 H new ATOM 653 N LYS A 41 -1.984 -16.204 5.078 1.00 0.00 N ATOM 654 CA LYS A 41 -1.988 -17.540 4.507 1.00 0.00 C ATOM 655 C LYS A 41 -0.685 -18.252 4.878 1.00 0.00 C ATOM 656 O LYS A 41 -0.679 -19.459 5.114 1.00 0.00 O ATOM 657 CB LYS A 41 -2.248 -17.478 3.000 1.00 0.00 C ATOM 658 CG LYS A 41 -0.933 -17.447 2.218 1.00 0.00 C ATOM 659 CD LYS A 41 -0.424 -18.864 1.945 1.00 0.00 C ATOM 660 CE LYS A 41 0.530 -18.883 0.749 1.00 0.00 C ATOM 661 NZ LYS A 41 -0.152 -19.419 -0.450 1.00 0.00 N ATOM 0 H LYS A 41 -1.880 -15.450 4.399 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.804 -18.130 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.838 -18.342 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.836 -16.591 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.079 -16.921 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.184 -16.890 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.087 -19.247 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.268 -19.527 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.891 -17.874 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.402 -19.494 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.510 -19.425 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.475 -20.389 -0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.970 -18.820 -0.681 1.00 0.00 H new ATOM 675 N GLY A 42 0.387 -17.474 4.917 1.00 0.00 N ATOM 676 CA GLY A 42 1.692 -18.015 5.255 1.00 0.00 C ATOM 677 C GLY A 42 1.589 -19.019 6.404 1.00 0.00 C ATOM 678 O GLY A 42 0.571 -19.078 7.093 1.00 0.00 O ATOM 0 H GLY A 42 0.378 -16.473 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.126 -18.501 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.364 -17.204 5.535 1.00 0.00 H new ATOM 682 N MET A 43 2.656 -19.785 6.577 1.00 0.00 N ATOM 683 CA MET A 43 2.698 -20.784 7.631 1.00 0.00 C ATOM 684 C MET A 43 2.854 -20.126 9.003 1.00 0.00 C ATOM 685 O MET A 43 2.840 -20.808 10.027 1.00 0.00 O ATOM 686 CB MET A 43 3.870 -21.737 7.385 1.00 0.00 C ATOM 687 CG MET A 43 3.727 -22.445 6.036 1.00 0.00 C ATOM 688 SD MET A 43 5.283 -23.183 5.566 1.00 0.00 S ATOM 689 CE MET A 43 4.711 -24.776 4.999 1.00 0.00 C ATOM 0 H MET A 43 3.499 -19.734 6.004 1.00 0.00 H new ATOM 0 HA MET A 43 1.759 -21.338 7.619 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.807 -21.181 7.410 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.916 -22.476 8.185 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.955 -23.212 6.099 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.408 -21.733 5.275 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.562 -25.371 4.666 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.204 -25.292 5.815 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.017 -24.639 4.170 1.00 0.00 H new ATOM 699 N SER A 44 2.999 -18.810 8.980 1.00 0.00 N ATOM 700 CA SER A 44 3.158 -18.052 10.210 1.00 0.00 C ATOM 701 C SER A 44 1.789 -17.611 10.733 1.00 0.00 C ATOM 702 O SER A 44 1.239 -16.611 10.274 1.00 0.00 O ATOM 703 CB SER A 44 4.062 -16.837 9.995 1.00 0.00 C ATOM 704 OG SER A 44 5.340 -17.205 9.486 1.00 0.00 O ATOM 0 H SER A 44 3.010 -18.248 8.129 1.00 0.00 H new ATOM 0 HA SER A 44 3.632 -18.696 10.951 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.581 -16.146 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.187 -16.307 10.939 1.00 0.00 H new ATOM 0 HG SER A 44 5.886 -16.401 9.361 1.00 0.00 H new ATOM 710 N THR A 45 1.280 -18.378 11.685 1.00 0.00 N ATOM 711 CA THR A 45 -0.014 -18.078 12.275 1.00 0.00 C ATOM 712 C THR A 45 0.038 -16.745 13.024 1.00 0.00 C ATOM 713 O THR A 45 1.112 -16.180 13.220 1.00 0.00 O ATOM 714 CB THR A 45 -0.414 -19.259 13.162 1.00 0.00 C ATOM 715 OG1 THR A 45 0.673 -19.392 14.074 1.00 0.00 O ATOM 716 CG2 THR A 45 -0.426 -20.586 12.401 1.00 0.00 C ATOM 0 H THR A 45 1.740 -19.207 12.063 1.00 0.00 H new ATOM 0 HA THR A 45 -0.780 -17.955 11.509 1.00 0.00 H new ATOM 0 HB THR A 45 -1.401 -19.075 13.587 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.496 -20.135 14.688 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.716 -21.390 13.077 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.139 -20.528 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.569 -20.787 12.004 1.00 0.00 H new ATOM 724 N LEU A 46 -1.138 -16.281 13.423 1.00 0.00 N ATOM 725 CA LEU A 46 -1.240 -15.025 14.146 1.00 0.00 C ATOM 726 C LEU A 46 -0.266 -15.040 15.326 1.00 0.00 C ATOM 727 O LEU A 46 0.681 -14.257 15.363 1.00 0.00 O ATOM 728 CB LEU A 46 -2.691 -14.756 14.550 1.00 0.00 C ATOM 729 CG LEU A 46 -3.100 -13.285 14.643 1.00 0.00 C ATOM 730 CD1 LEU A 46 -3.910 -12.862 13.416 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.848 -13.005 15.948 1.00 0.00 C ATOM 0 H LEU A 46 -2.028 -16.752 13.259 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.952 -14.192 13.505 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.345 -15.249 13.831 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.871 -15.224 15.518 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.194 -12.679 14.655 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.188 -11.812 13.508 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.309 -13.001 12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.811 -13.471 13.347 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.127 -11.952 15.989 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.746 -13.621 15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.204 -13.242 16.795 1.00 0.00 H new ATOM 743 N ASP A 47 -0.533 -15.940 16.261 1.00 0.00 N ATOM 744 CA ASP A 47 0.308 -16.067 17.439 1.00 0.00 C ATOM 745 C ASP A 47 1.778 -16.030 17.017 1.00 0.00 C ATOM 746 O ASP A 47 2.560 -15.242 17.546 1.00 0.00 O ATOM 747 CB ASP A 47 0.055 -17.395 18.156 1.00 0.00 C ATOM 748 CG ASP A 47 -0.400 -17.268 19.611 1.00 0.00 C ATOM 749 OD1 ASP A 47 -1.343 -16.482 19.844 1.00 0.00 O ATOM 750 OD2 ASP A 47 0.206 -17.960 20.457 1.00 0.00 O ATOM 0 H ASP A 47 -1.320 -16.588 16.227 1.00 0.00 H new ATOM 0 HA ASP A 47 0.072 -15.243 18.112 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.701 -17.951 17.602 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.970 -17.986 18.128 1.00 0.00 H new ATOM 755 N GLU A 48 2.110 -16.893 16.068 1.00 0.00 N ATOM 756 CA GLU A 48 3.472 -16.969 15.568 1.00 0.00 C ATOM 757 C GLU A 48 3.941 -15.592 15.093 1.00 0.00 C ATOM 758 O GLU A 48 5.058 -15.174 15.396 1.00 0.00 O ATOM 759 CB GLU A 48 3.589 -18.004 14.448 1.00 0.00 C ATOM 760 CG GLU A 48 4.406 -19.215 14.904 1.00 0.00 C ATOM 761 CD GLU A 48 5.129 -19.865 13.722 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.542 -19.846 12.618 1.00 0.00 O ATOM 763 OE2 GLU A 48 6.251 -20.366 13.949 1.00 0.00 O ATOM 0 H GLU A 48 1.459 -17.546 15.632 1.00 0.00 H new ATOM 0 HA GLU A 48 4.119 -17.291 16.384 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.594 -18.327 14.141 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.060 -17.550 13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.134 -18.906 15.654 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.749 -19.944 15.378 1.00 0.00 H new ATOM 770 N LEU A 49 3.064 -14.925 14.358 1.00 0.00 N ATOM 771 CA LEU A 49 3.375 -13.604 13.838 1.00 0.00 C ATOM 772 C LEU A 49 3.532 -12.626 15.004 1.00 0.00 C ATOM 773 O LEU A 49 4.474 -11.835 15.032 1.00 0.00 O ATOM 774 CB LEU A 49 2.326 -13.173 12.811 1.00 0.00 C ATOM 775 CG LEU A 49 2.861 -12.472 11.560 1.00 0.00 C ATOM 776 CD1 LEU A 49 3.150 -13.482 10.447 1.00 0.00 C ATOM 777 CD2 LEU A 49 1.906 -11.370 11.098 1.00 0.00 C ATOM 0 H LEU A 49 2.138 -15.274 14.110 1.00 0.00 H new ATOM 0 HA LEU A 49 4.325 -13.618 13.303 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.768 -14.056 12.498 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.618 -12.506 13.302 1.00 0.00 H new ATOM 0 HG LEU A 49 3.806 -11.993 11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.529 -12.958 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.895 -14.199 10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.232 -14.009 10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.310 -10.888 10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.934 -11.805 10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.793 -10.631 11.891 1.00 0.00 H new ATOM 789 N PHE A 50 2.596 -12.712 15.937 1.00 0.00 N ATOM 790 CA PHE A 50 2.619 -11.845 17.103 1.00 0.00 C ATOM 791 C PHE A 50 3.923 -12.011 17.884 1.00 0.00 C ATOM 792 O PHE A 50 4.624 -11.034 18.144 1.00 0.00 O ATOM 793 CB PHE A 50 1.447 -12.262 17.994 1.00 0.00 C ATOM 794 CG PHE A 50 1.183 -11.309 19.161 1.00 0.00 C ATOM 795 CD1 PHE A 50 1.259 -9.964 18.972 1.00 0.00 C ATOM 796 CD2 PHE A 50 0.873 -11.806 20.389 1.00 0.00 C ATOM 797 CE1 PHE A 50 1.015 -9.079 20.055 1.00 0.00 C ATOM 798 CE2 PHE A 50 0.629 -10.921 21.472 1.00 0.00 C ATOM 799 CZ PHE A 50 0.705 -9.577 21.283 1.00 0.00 C ATOM 0 H PHE A 50 1.816 -13.369 15.910 1.00 0.00 H new ATOM 0 HA PHE A 50 2.543 -10.803 16.793 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.547 -12.331 17.384 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.641 -13.259 18.389 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.505 -9.569 17.997 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.813 -12.874 20.540 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.075 -8.011 19.904 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.383 -11.316 22.447 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.519 -8.904 22.107 1.00 0.00 H new ATOM 809 N GLU A 51 4.210 -13.256 18.237 1.00 0.00 N ATOM 810 CA GLU A 51 5.418 -13.563 18.984 1.00 0.00 C ATOM 811 C GLU A 51 6.654 -13.325 18.115 1.00 0.00 C ATOM 812 O GLU A 51 7.660 -12.799 18.590 1.00 0.00 O ATOM 813 CB GLU A 51 5.386 -14.998 19.512 1.00 0.00 C ATOM 814 CG GLU A 51 5.535 -16.006 18.370 1.00 0.00 C ATOM 815 CD GLU A 51 6.999 -16.140 17.945 1.00 0.00 C ATOM 816 OE1 GLU A 51 7.866 -15.934 18.822 1.00 0.00 O ATOM 817 OE2 GLU A 51 7.218 -16.447 16.754 1.00 0.00 O ATOM 0 H GLU A 51 3.626 -14.064 18.019 1.00 0.00 H new ATOM 0 HA GLU A 51 5.470 -12.896 19.844 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.189 -15.141 20.235 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.448 -15.175 20.038 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.154 -16.977 18.685 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.933 -15.688 17.519 1.00 0.00 H new ATOM 824 N GLU A 52 6.539 -13.724 16.857 1.00 0.00 N ATOM 825 CA GLU A 52 7.635 -13.561 15.916 1.00 0.00 C ATOM 826 C GLU A 52 7.983 -12.080 15.759 1.00 0.00 C ATOM 827 O GLU A 52 9.126 -11.680 15.977 1.00 0.00 O ATOM 828 CB GLU A 52 7.295 -14.192 14.564 1.00 0.00 C ATOM 829 CG GLU A 52 8.404 -13.928 13.543 1.00 0.00 C ATOM 830 CD GLU A 52 7.972 -14.362 12.141 1.00 0.00 C ATOM 831 OE1 GLU A 52 7.196 -13.599 11.524 1.00 0.00 O ATOM 832 OE2 GLU A 52 8.426 -15.446 11.717 1.00 0.00 O ATOM 0 H GLU A 52 5.703 -14.160 16.467 1.00 0.00 H new ATOM 0 HA GLU A 52 8.509 -14.079 16.311 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.155 -15.266 14.685 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.352 -13.787 14.196 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.654 -12.867 13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.306 -14.467 13.833 1.00 0.00 H new ATOM 839 N LEU A 53 6.977 -11.305 15.381 1.00 0.00 N ATOM 840 CA LEU A 53 7.162 -9.876 15.191 1.00 0.00 C ATOM 841 C LEU A 53 7.770 -9.273 16.459 1.00 0.00 C ATOM 842 O LEU A 53 8.790 -8.588 16.397 1.00 0.00 O ATOM 843 CB LEU A 53 5.849 -9.217 14.765 1.00 0.00 C ATOM 844 CG LEU A 53 5.224 -9.741 13.470 1.00 0.00 C ATOM 845 CD1 LEU A 53 3.700 -9.613 13.506 1.00 0.00 C ATOM 846 CD2 LEU A 53 5.830 -9.047 12.249 1.00 0.00 C ATOM 0 H LEU A 53 6.030 -11.640 15.201 1.00 0.00 H new ATOM 0 HA LEU A 53 7.864 -9.687 14.379 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.125 -9.341 15.570 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.022 -8.147 14.654 1.00 0.00 H new ATOM 0 HG LEU A 53 5.455 -10.803 13.384 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.281 -9.992 12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.306 -10.190 14.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.426 -8.565 13.627 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.368 -9.438 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.651 -7.974 12.314 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.903 -9.234 12.219 1.00 0.00 H new ATOM 858 N ASP A 54 7.119 -9.549 17.579 1.00 0.00 N ATOM 859 CA ASP A 54 7.582 -9.042 18.859 1.00 0.00 C ATOM 860 C ASP A 54 8.895 -9.734 19.231 1.00 0.00 C ATOM 861 O ASP A 54 9.186 -10.825 18.744 1.00 0.00 O ATOM 862 CB ASP A 54 6.566 -9.329 19.966 1.00 0.00 C ATOM 863 CG ASP A 54 6.927 -8.758 21.339 1.00 0.00 C ATOM 864 OD1 ASP A 54 6.723 -7.537 21.517 1.00 0.00 O ATOM 865 OD2 ASP A 54 7.397 -9.554 22.179 1.00 0.00 O ATOM 0 H ASP A 54 6.274 -10.118 17.627 1.00 0.00 H new ATOM 0 HA ASP A 54 7.718 -7.965 18.766 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.599 -8.926 19.664 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.447 -10.409 20.058 1.00 0.00 H new ATOM 870 N LYS A 55 9.654 -9.070 20.091 1.00 0.00 N ATOM 871 CA LYS A 55 10.929 -9.607 20.535 1.00 0.00 C ATOM 872 C LYS A 55 11.400 -8.838 21.771 1.00 0.00 C ATOM 873 O LYS A 55 11.883 -9.436 22.731 1.00 0.00 O ATOM 874 CB LYS A 55 11.940 -9.604 19.386 1.00 0.00 C ATOM 875 CG LYS A 55 13.220 -10.344 19.780 1.00 0.00 C ATOM 876 CD LYS A 55 13.463 -11.544 18.862 1.00 0.00 C ATOM 877 CE LYS A 55 13.348 -12.859 19.636 1.00 0.00 C ATOM 878 NZ LYS A 55 14.055 -13.945 18.921 1.00 0.00 N ATOM 0 H LYS A 55 9.410 -8.164 20.492 1.00 0.00 H new ATOM 0 HA LYS A 55 10.820 -10.650 20.832 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.499 -10.075 18.508 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.180 -8.577 19.110 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.069 -9.663 19.727 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.146 -10.681 20.814 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.741 -11.534 18.046 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.453 -11.468 18.412 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.769 -12.738 20.634 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.298 -13.123 19.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.967 -14.830 19.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.635 -14.071 17.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.060 -13.698 18.822 1.00 0.00 H new ATOM 892 N ASN A 56 11.242 -7.524 21.706 1.00 0.00 N ATOM 893 CA ASN A 56 11.645 -6.667 22.808 1.00 0.00 C ATOM 894 C ASN A 56 11.016 -7.181 24.105 1.00 0.00 C ATOM 895 O ASN A 56 11.495 -6.875 25.195 1.00 0.00 O ATOM 896 CB ASN A 56 11.170 -5.229 22.590 1.00 0.00 C ATOM 897 CG ASN A 56 9.731 -5.200 22.071 1.00 0.00 C ATOM 898 OD1 ASN A 56 8.810 -5.705 22.691 1.00 0.00 O ATOM 899 ND2 ASN A 56 9.590 -4.582 20.902 1.00 0.00 N ATOM 0 H ASN A 56 10.841 -7.032 20.908 1.00 0.00 H new ATOM 0 HA ASN A 56 12.733 -6.682 22.866 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.234 -4.675 23.527 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.827 -4.729 21.879 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.668 -4.509 20.472 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.404 -4.181 20.436 1.00 0.00 H new ATOM 906 N GLY A 57 9.952 -7.954 23.943 1.00 0.00 N ATOM 907 CA GLY A 57 9.252 -8.513 25.087 1.00 0.00 C ATOM 908 C GLY A 57 8.442 -7.438 25.813 1.00 0.00 C ATOM 909 O GLY A 57 8.679 -7.166 26.989 1.00 0.00 O ATOM 0 H GLY A 57 9.558 -8.206 23.037 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.589 -9.312 24.757 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.970 -8.959 25.775 1.00 0.00 H new ATOM 913 N ASP A 58 7.503 -6.855 25.083 1.00 0.00 N ATOM 914 CA ASP A 58 6.656 -5.816 25.644 1.00 0.00 C ATOM 915 C ASP A 58 5.199 -6.096 25.273 1.00 0.00 C ATOM 916 O ASP A 58 4.330 -6.138 26.143 1.00 0.00 O ATOM 917 CB ASP A 58 7.030 -4.441 25.086 1.00 0.00 C ATOM 918 CG ASP A 58 8.529 -4.210 24.886 1.00 0.00 C ATOM 919 OD1 ASP A 58 9.300 -4.734 25.718 1.00 0.00 O ATOM 920 OD2 ASP A 58 8.870 -3.514 23.905 1.00 0.00 O ATOM 0 H ASP A 58 7.310 -7.082 24.108 1.00 0.00 H new ATOM 0 HA ASP A 58 6.793 -5.816 26.725 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.526 -4.305 24.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.647 -3.675 25.760 1.00 0.00 H new ATOM 925 N GLY A 59 4.975 -6.281 23.980 1.00 0.00 N ATOM 926 CA GLY A 59 3.638 -6.557 23.484 1.00 0.00 C ATOM 927 C GLY A 59 3.234 -5.547 22.407 1.00 0.00 C ATOM 928 O GLY A 59 2.119 -5.599 21.890 1.00 0.00 O ATOM 0 H GLY A 59 5.698 -6.245 23.261 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.599 -7.566 23.074 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.926 -6.520 24.308 1.00 0.00 H new ATOM 932 N GLU A 60 4.163 -4.653 22.101 1.00 0.00 N ATOM 933 CA GLU A 60 3.917 -3.634 21.096 1.00 0.00 C ATOM 934 C GLU A 60 4.697 -3.950 19.818 1.00 0.00 C ATOM 935 O GLU A 60 5.921 -4.072 19.847 1.00 0.00 O ATOM 936 CB GLU A 60 4.274 -2.244 21.626 1.00 0.00 C ATOM 937 CG GLU A 60 3.682 -2.019 23.018 1.00 0.00 C ATOM 938 CD GLU A 60 4.766 -2.094 24.095 1.00 0.00 C ATOM 939 OE1 GLU A 60 5.867 -1.565 23.829 1.00 0.00 O ATOM 940 OE2 GLU A 60 4.470 -2.680 25.159 1.00 0.00 O ATOM 0 H GLU A 60 5.087 -4.614 22.532 1.00 0.00 H new ATOM 0 HA GLU A 60 2.853 -3.634 20.859 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.358 -2.133 21.666 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.901 -1.483 20.941 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.194 -1.045 23.056 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.915 -2.768 23.216 1.00 0.00 H new ATOM 947 N VAL A 61 3.957 -4.074 18.726 1.00 0.00 N ATOM 948 CA VAL A 61 4.564 -4.374 17.440 1.00 0.00 C ATOM 949 C VAL A 61 4.750 -3.076 16.654 1.00 0.00 C ATOM 950 O VAL A 61 4.326 -2.976 15.503 1.00 0.00 O ATOM 951 CB VAL A 61 3.722 -5.411 16.693 1.00 0.00 C ATOM 952 CG1 VAL A 61 4.165 -5.528 15.234 1.00 0.00 C ATOM 953 CG2 VAL A 61 3.776 -6.770 17.394 1.00 0.00 C ATOM 0 H VAL A 61 2.942 -3.972 18.705 1.00 0.00 H new ATOM 0 HA VAL A 61 5.551 -4.815 17.577 1.00 0.00 H new ATOM 0 HB VAL A 61 2.686 -5.071 16.702 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.551 -6.271 14.726 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.050 -4.563 14.740 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.211 -5.833 15.195 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.169 -7.488 16.843 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.808 -7.119 17.431 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.389 -6.672 18.408 1.00 0.00 H new ATOM 963 N SER A 62 5.384 -2.112 17.305 1.00 0.00 N ATOM 964 CA SER A 62 5.631 -0.823 16.681 1.00 0.00 C ATOM 965 C SER A 62 6.180 -1.024 15.267 1.00 0.00 C ATOM 966 O SER A 62 6.615 -2.119 14.915 1.00 0.00 O ATOM 967 CB SER A 62 6.604 0.015 17.514 1.00 0.00 C ATOM 968 OG SER A 62 6.947 -0.627 18.739 1.00 0.00 O ATOM 0 H SER A 62 5.734 -2.198 18.259 1.00 0.00 H new ATOM 0 HA SER A 62 4.686 -0.283 16.624 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.509 0.201 16.936 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.157 0.986 17.726 1.00 0.00 H new ATOM 0 HG SER A 62 7.754 -1.168 18.610 1.00 0.00 H new ATOM 974 N PHE A 63 6.141 0.052 14.494 1.00 0.00 N ATOM 975 CA PHE A 63 6.629 0.008 13.126 1.00 0.00 C ATOM 976 C PHE A 63 8.019 -0.629 13.060 1.00 0.00 C ATOM 977 O PHE A 63 8.363 -1.274 12.070 1.00 0.00 O ATOM 978 CB PHE A 63 6.720 1.455 12.637 1.00 0.00 C ATOM 979 CG PHE A 63 6.678 1.600 11.114 1.00 0.00 C ATOM 980 CD1 PHE A 63 5.704 0.977 10.398 1.00 0.00 C ATOM 981 CD2 PHE A 63 7.614 2.354 10.477 1.00 0.00 C ATOM 982 CE1 PHE A 63 5.665 1.112 8.985 1.00 0.00 C ATOM 983 CE2 PHE A 63 7.575 2.489 9.064 1.00 0.00 C ATOM 984 CZ PHE A 63 6.601 1.865 8.348 1.00 0.00 C ATOM 0 H PHE A 63 5.779 0.959 14.789 1.00 0.00 H new ATOM 0 HA PHE A 63 5.956 -0.588 12.510 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.898 2.026 13.069 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.645 1.896 13.009 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.960 0.380 10.904 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.387 2.850 11.046 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.892 0.617 8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.318 3.087 8.558 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.571 1.968 7.273 1.00 0.00 H new ATOM 994 N GLU A 64 8.779 -0.425 14.125 1.00 0.00 N ATOM 995 CA GLU A 64 10.124 -0.971 14.200 1.00 0.00 C ATOM 996 C GLU A 64 10.108 -2.467 13.879 1.00 0.00 C ATOM 997 O GLU A 64 10.840 -2.925 13.003 1.00 0.00 O ATOM 998 CB GLU A 64 10.745 -0.711 15.574 1.00 0.00 C ATOM 999 CG GLU A 64 9.695 -0.828 16.681 1.00 0.00 C ATOM 1000 CD GLU A 64 10.171 -1.769 17.791 1.00 0.00 C ATOM 1001 OE1 GLU A 64 11.400 -1.984 17.864 1.00 0.00 O ATOM 1002 OE2 GLU A 64 9.294 -2.252 18.539 1.00 0.00 O ATOM 0 H GLU A 64 8.490 0.111 14.943 1.00 0.00 H new ATOM 0 HA GLU A 64 10.742 -0.467 13.457 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.550 -1.424 15.754 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.190 0.284 15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.490 0.158 17.098 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.759 -1.198 16.262 1.00 0.00 H new ATOM 1009 N GLU A 65 9.266 -3.187 14.606 1.00 0.00 N ATOM 1010 CA GLU A 65 9.145 -4.621 14.410 1.00 0.00 C ATOM 1011 C GLU A 65 8.423 -4.918 13.094 1.00 0.00 C ATOM 1012 O GLU A 65 8.678 -5.940 12.459 1.00 0.00 O ATOM 1013 CB GLU A 65 8.426 -5.277 15.590 1.00 0.00 C ATOM 1014 CG GLU A 65 9.163 -5.004 16.903 1.00 0.00 C ATOM 1015 CD GLU A 65 8.620 -5.884 18.030 1.00 0.00 C ATOM 1016 OE1 GLU A 65 7.396 -5.810 18.269 1.00 0.00 O ATOM 1017 OE2 GLU A 65 9.442 -6.612 18.627 1.00 0.00 O ATOM 0 H GLU A 65 8.661 -2.803 15.332 1.00 0.00 H new ATOM 0 HA GLU A 65 10.147 -5.046 14.356 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.406 -4.897 15.656 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.356 -6.352 15.425 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.229 -5.192 16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.055 -3.953 17.173 1.00 0.00 H new ATOM 1024 N PHE A 66 7.537 -4.006 12.724 1.00 0.00 N ATOM 1025 CA PHE A 66 6.776 -4.157 11.495 1.00 0.00 C ATOM 1026 C PHE A 66 7.706 -4.251 10.283 1.00 0.00 C ATOM 1027 O PHE A 66 7.431 -4.993 9.341 1.00 0.00 O ATOM 1028 CB PHE A 66 5.900 -2.911 11.355 1.00 0.00 C ATOM 1029 CG PHE A 66 4.835 -3.019 10.261 1.00 0.00 C ATOM 1030 CD1 PHE A 66 3.758 -3.830 10.438 1.00 0.00 C ATOM 1031 CD2 PHE A 66 4.966 -2.303 9.112 1.00 0.00 C ATOM 1032 CE1 PHE A 66 2.770 -3.930 9.423 1.00 0.00 C ATOM 1033 CE2 PHE A 66 3.978 -2.403 8.097 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.901 -3.214 8.274 1.00 0.00 C ATOM 0 H PHE A 66 7.329 -3.159 13.253 1.00 0.00 H new ATOM 0 HA PHE A 66 6.181 -5.070 11.535 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.409 -2.716 12.308 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.538 -2.053 11.144 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.654 -4.398 11.351 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.821 -1.659 8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.915 -4.574 9.563 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.082 -1.835 7.184 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.149 -3.290 7.502 1.00 0.00 H new ATOM 1044 N GLN A 67 8.787 -3.488 10.346 1.00 0.00 N ATOM 1045 CA GLN A 67 9.759 -3.475 9.266 1.00 0.00 C ATOM 1046 C GLN A 67 10.345 -4.874 9.063 1.00 0.00 C ATOM 1047 O GLN A 67 10.979 -5.143 8.044 1.00 0.00 O ATOM 1048 CB GLN A 67 10.864 -2.452 9.534 1.00 0.00 C ATOM 1049 CG GLN A 67 10.278 -1.053 9.737 1.00 0.00 C ATOM 1050 CD GLN A 67 11.076 -0.006 8.957 1.00 0.00 C ATOM 1051 OE1 GLN A 67 12.188 -0.240 8.513 1.00 0.00 O ATOM 1052 NE2 GLN A 67 10.449 1.158 8.817 1.00 0.00 N ATOM 0 H GLN A 67 9.011 -2.874 11.129 1.00 0.00 H new ATOM 0 HA GLN A 67 9.250 -3.178 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.429 -2.745 10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.564 -2.439 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.238 -1.040 9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.283 -0.803 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.518 1.287 9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.899 1.922 8.313 1.00 0.00 H new ATOM 1061 N VAL A 68 10.111 -5.728 10.049 1.00 0.00 N ATOM 1062 CA VAL A 68 10.608 -7.092 9.992 1.00 0.00 C ATOM 1063 C VAL A 68 9.716 -7.916 9.061 1.00 0.00 C ATOM 1064 O VAL A 68 10.200 -8.795 8.349 1.00 0.00 O ATOM 1065 CB VAL A 68 10.701 -7.675 11.403 1.00 0.00 C ATOM 1066 CG1 VAL A 68 11.334 -9.068 11.380 1.00 0.00 C ATOM 1067 CG2 VAL A 68 11.471 -6.738 12.334 1.00 0.00 C ATOM 0 H VAL A 68 9.584 -5.501 10.892 1.00 0.00 H new ATOM 0 HA VAL A 68 11.617 -7.114 9.580 1.00 0.00 H new ATOM 0 HB VAL A 68 9.688 -7.774 11.792 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.388 -9.460 12.396 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.727 -9.733 10.766 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.338 -9.004 10.961 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.522 -7.177 13.331 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.480 -6.592 11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.960 -5.777 12.387 1.00 0.00 H new ATOM 1077 N LEU A 69 8.429 -7.603 9.097 1.00 0.00 N ATOM 1078 CA LEU A 69 7.465 -8.303 8.266 1.00 0.00 C ATOM 1079 C LEU A 69 7.569 -7.790 6.828 1.00 0.00 C ATOM 1080 O LEU A 69 7.321 -8.533 5.880 1.00 0.00 O ATOM 1081 CB LEU A 69 6.060 -8.187 8.860 1.00 0.00 C ATOM 1082 CG LEU A 69 5.035 -9.208 8.363 1.00 0.00 C ATOM 1083 CD1 LEU A 69 5.524 -10.638 8.605 1.00 0.00 C ATOM 1084 CD2 LEU A 69 3.663 -8.958 8.992 1.00 0.00 C ATOM 0 H LEU A 69 8.032 -6.874 9.689 1.00 0.00 H new ATOM 0 HA LEU A 69 7.688 -9.370 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.137 -8.277 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.679 -7.188 8.649 1.00 0.00 H new ATOM 0 HG LEU A 69 4.923 -9.083 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.777 -11.344 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.462 -10.797 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.682 -10.793 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.953 -9.697 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.740 -9.039 10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.318 -7.959 8.727 1.00 0.00 H new ATOM 1096 N VAL A 70 7.936 -6.522 6.712 1.00 0.00 N ATOM 1097 CA VAL A 70 8.076 -5.900 5.406 1.00 0.00 C ATOM 1098 C VAL A 70 8.940 -6.791 4.511 1.00 0.00 C ATOM 1099 O VAL A 70 8.812 -6.759 3.288 1.00 0.00 O ATOM 1100 CB VAL A 70 8.635 -4.484 5.558 1.00 0.00 C ATOM 1101 CG1 VAL A 70 9.444 -4.079 4.323 1.00 0.00 C ATOM 1102 CG2 VAL A 70 7.515 -3.479 5.834 1.00 0.00 C ATOM 0 H VAL A 70 8.141 -5.909 7.501 1.00 0.00 H new ATOM 0 HA VAL A 70 7.103 -5.801 4.924 1.00 0.00 H new ATOM 0 HB VAL A 70 9.308 -4.479 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.830 -3.068 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.276 -4.771 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.803 -4.109 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.940 -2.480 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.806 -3.488 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.000 -3.752 6.755 1.00 0.00 H new ATOM 1112 N LYS A 71 9.799 -7.567 5.156 1.00 0.00 N ATOM 1113 CA LYS A 71 10.684 -8.465 4.434 1.00 0.00 C ATOM 1114 C LYS A 71 9.866 -9.619 3.850 1.00 0.00 C ATOM 1115 O LYS A 71 10.011 -9.955 2.675 1.00 0.00 O ATOM 1116 CB LYS A 71 11.835 -8.921 5.333 1.00 0.00 C ATOM 1117 CG LYS A 71 13.175 -8.822 4.600 1.00 0.00 C ATOM 1118 CD LYS A 71 14.124 -9.939 5.041 1.00 0.00 C ATOM 1119 CE LYS A 71 15.384 -9.363 5.689 1.00 0.00 C ATOM 1120 NZ LYS A 71 16.526 -10.289 5.515 1.00 0.00 N ATOM 0 H LYS A 71 9.901 -7.592 6.171 1.00 0.00 H new ATOM 0 HA LYS A 71 11.151 -7.947 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.863 -8.308 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.666 -9.949 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.011 -8.883 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.632 -7.852 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.615 -10.596 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.399 -10.548 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.620 -8.397 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.207 -9.189 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.373 -9.883 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.304 -11.202 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.704 -10.434 4.501 1.00 0.00 H new ATOM 1134 N LYS A 72 9.025 -10.193 4.697 1.00 0.00 N ATOM 1135 CA LYS A 72 8.183 -11.302 4.279 1.00 0.00 C ATOM 1136 C LYS A 72 7.033 -10.770 3.422 1.00 0.00 C ATOM 1137 O LYS A 72 6.321 -11.543 2.783 1.00 0.00 O ATOM 1138 CB LYS A 72 7.723 -12.112 5.493 1.00 0.00 C ATOM 1139 CG LYS A 72 8.919 -12.608 6.307 1.00 0.00 C ATOM 1140 CD LYS A 72 9.160 -11.717 7.527 1.00 0.00 C ATOM 1141 CE LYS A 72 9.730 -12.526 8.694 1.00 0.00 C ATOM 1142 NZ LYS A 72 9.903 -11.666 9.886 1.00 0.00 N ATOM 0 H LYS A 72 8.908 -9.912 5.670 1.00 0.00 H new ATOM 0 HA LYS A 72 8.748 -11.996 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.080 -11.497 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.126 -12.962 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.743 -13.634 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.810 -12.620 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.850 -10.915 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.224 -11.247 7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.062 -13.355 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.688 -12.960 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.902 -11.670 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.612 -10.694 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.316 -12.029 10.664 1.00 0.00 H new ATOM 1156 N ILE A 73 6.887 -9.453 3.437 1.00 0.00 N ATOM 1157 CA ILE A 73 5.835 -8.808 2.669 1.00 0.00 C ATOM 1158 C ILE A 73 6.214 -8.817 1.187 1.00 0.00 C ATOM 1159 O ILE A 73 5.414 -9.212 0.340 1.00 0.00 O ATOM 1160 CB ILE A 73 5.548 -7.411 3.222 1.00 0.00 C ATOM 1161 CG1 ILE A 73 4.775 -7.492 4.541 1.00 0.00 C ATOM 1162 CG2 ILE A 73 4.824 -6.549 2.186 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.715 -6.125 5.226 1.00 0.00 C ATOM 0 H ILE A 73 7.479 -8.815 3.969 1.00 0.00 H new ATOM 0 HA ILE A 73 4.900 -9.361 2.763 1.00 0.00 H new ATOM 0 HB ILE A 73 6.500 -6.926 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.764 -7.853 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.253 -8.214 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.632 -5.561 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.445 -6.451 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.878 -7.020 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.161 -6.210 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.727 -5.778 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.215 -5.412 4.571 1.00 0.00 H new ATOM 1175 N SER A 74 7.434 -8.375 0.918 1.00 0.00 N ATOM 1176 CA SER A 74 7.928 -8.327 -0.448 1.00 0.00 C ATOM 1177 C SER A 74 8.247 -9.740 -0.939 1.00 0.00 C ATOM 1178 O SER A 74 7.937 -10.090 -2.077 1.00 0.00 O ATOM 1179 CB SER A 74 9.167 -7.435 -0.554 1.00 0.00 C ATOM 1180 OG SER A 74 9.475 -7.107 -1.906 1.00 0.00 O ATOM 0 H SER A 74 8.095 -8.047 1.622 1.00 0.00 H new ATOM 0 HA SER A 74 7.150 -7.898 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.003 -6.519 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.019 -7.942 -0.101 1.00 0.00 H new ATOM 0 HG SER A 74 10.271 -6.536 -1.931 1.00 0.00 H new ATOM 1186 N GLN A 75 8.863 -10.514 -0.058 1.00 0.00 N ATOM 1187 CA GLN A 75 9.228 -11.881 -0.388 1.00 0.00 C ATOM 1188 C GLN A 75 7.975 -12.752 -0.498 1.00 0.00 C ATOM 1189 O GLN A 75 7.227 -12.650 -1.469 1.00 0.00 O ATOM 1190 CB GLN A 75 10.204 -12.452 0.643 1.00 0.00 C ATOM 1191 CG GLN A 75 11.414 -13.090 -0.043 1.00 0.00 C ATOM 1192 CD GLN A 75 12.646 -13.041 0.863 1.00 0.00 C ATOM 1193 OE1 GLN A 75 13.229 -14.053 1.216 1.00 0.00 O ATOM 1194 NE2 GLN A 75 13.009 -11.812 1.217 1.00 0.00 N ATOM 0 H GLN A 75 9.119 -10.220 0.885 1.00 0.00 H new ATOM 0 HA GLN A 75 9.732 -11.879 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.537 -11.659 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 75 9.696 -13.195 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.188 -14.125 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 75 11.624 -12.569 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.476 -11.008 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.820 -11.673 1.820 1.00 0.00 H new