USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00876) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.0231 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.267 K(o=-0.27,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.114 USER MOD Single : A 67 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 83:sc= 0.898 USER MOD Single : A 75 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 8.108 4.378 -3.585 1.00 0.00 N ATOM 49 CA GLU A 4 8.459 4.787 -4.934 1.00 0.00 C ATOM 50 C GLU A 4 7.199 4.942 -5.787 1.00 0.00 C ATOM 51 O GLU A 4 7.129 5.822 -6.644 1.00 0.00 O ATOM 52 CB GLU A 4 9.434 3.795 -5.572 1.00 0.00 C ATOM 53 CG GLU A 4 10.662 4.516 -6.132 1.00 0.00 C ATOM 54 CD GLU A 4 10.646 4.518 -7.662 1.00 0.00 C ATOM 55 OE1 GLU A 4 10.240 3.480 -8.227 1.00 0.00 O ATOM 56 OE2 GLU A 4 11.042 5.558 -8.232 1.00 0.00 O ATOM 0 HA GLU A 4 8.959 5.754 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.746 3.059 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.932 3.249 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.685 5.542 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.569 4.028 -5.775 1.00 0.00 H new ATOM 63 N GLU A 5 6.233 4.074 -5.523 1.00 0.00 N ATOM 64 CA GLU A 5 4.979 4.104 -6.255 1.00 0.00 C ATOM 65 C GLU A 5 4.170 5.344 -5.872 1.00 0.00 C ATOM 66 O GLU A 5 3.480 5.923 -6.710 1.00 0.00 O ATOM 67 CB GLU A 5 4.172 2.826 -6.013 1.00 0.00 C ATOM 68 CG GLU A 5 4.172 1.934 -7.256 1.00 0.00 C ATOM 69 CD GLU A 5 2.795 1.303 -7.477 1.00 0.00 C ATOM 70 OE1 GLU A 5 1.802 1.964 -7.106 1.00 0.00 O ATOM 71 OE2 GLU A 5 2.768 0.174 -8.012 1.00 0.00 O ATOM 0 H GLU A 5 6.294 3.345 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 5 5.204 4.156 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.593 2.280 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.147 3.084 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.451 2.522 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.922 1.151 -7.146 1.00 0.00 H new ATOM 78 N LEU A 6 4.281 5.716 -4.605 1.00 0.00 N ATOM 79 CA LEU A 6 3.568 6.878 -4.101 1.00 0.00 C ATOM 80 C LEU A 6 3.977 8.112 -4.908 1.00 0.00 C ATOM 81 O LEU A 6 3.127 8.905 -5.310 1.00 0.00 O ATOM 82 CB LEU A 6 3.787 7.028 -2.594 1.00 0.00 C ATOM 83 CG LEU A 6 2.784 6.303 -1.695 1.00 0.00 C ATOM 84 CD1 LEU A 6 3.345 6.118 -0.284 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.435 7.025 -1.685 1.00 0.00 C ATOM 0 H LEU A 6 4.854 5.233 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 6 2.493 6.753 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.787 6.666 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.764 8.090 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 6 2.614 5.308 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.612 5.600 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.261 5.529 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.563 7.093 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.740 6.489 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.568 8.040 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.034 7.061 -2.698 1.00 0.00 H new ATOM 97 N LYS A 7 5.279 8.235 -5.121 1.00 0.00 N ATOM 98 CA LYS A 7 5.811 9.359 -5.873 1.00 0.00 C ATOM 99 C LYS A 7 5.339 9.265 -7.325 1.00 0.00 C ATOM 100 O LYS A 7 4.785 10.221 -7.865 1.00 0.00 O ATOM 101 CB LYS A 7 7.332 9.432 -5.723 1.00 0.00 C ATOM 102 CG LYS A 7 7.808 10.885 -5.665 1.00 0.00 C ATOM 103 CD LYS A 7 7.804 11.520 -7.057 1.00 0.00 C ATOM 104 CE LYS A 7 9.180 11.408 -7.715 1.00 0.00 C ATOM 105 NZ LYS A 7 9.060 11.493 -9.188 1.00 0.00 N ATOM 0 H LYS A 7 5.981 7.575 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 7 5.430 10.299 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.637 8.909 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.809 8.923 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.162 11.457 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.813 10.925 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.057 11.030 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.518 12.569 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.829 12.204 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.647 10.463 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.004 11.415 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.457 10.718 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.634 12.405 -9.450 1.00 0.00 H new ATOM 119 N GLY A 8 5.576 8.103 -7.916 1.00 0.00 N ATOM 120 CA GLY A 8 5.182 7.871 -9.296 1.00 0.00 C ATOM 121 C GLY A 8 3.693 8.158 -9.496 1.00 0.00 C ATOM 122 O GLY A 8 3.323 8.989 -10.324 1.00 0.00 O ATOM 0 H GLY A 8 6.036 7.312 -7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.771 8.506 -9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.397 6.838 -9.571 1.00 0.00 H new ATOM 126 N ILE A 9 2.878 7.454 -8.724 1.00 0.00 N ATOM 127 CA ILE A 9 1.437 7.622 -8.806 1.00 0.00 C ATOM 128 C ILE A 9 1.090 9.101 -8.626 1.00 0.00 C ATOM 129 O ILE A 9 0.326 9.663 -9.409 1.00 0.00 O ATOM 130 CB ILE A 9 0.732 6.699 -7.811 1.00 0.00 C ATOM 131 CG1 ILE A 9 0.601 5.283 -8.374 1.00 0.00 C ATOM 132 CG2 ILE A 9 -0.621 7.277 -7.391 1.00 0.00 C ATOM 133 CD1 ILE A 9 -0.177 4.380 -7.414 1.00 0.00 C ATOM 0 H ILE A 9 3.189 6.766 -8.038 1.00 0.00 H new ATOM 0 HA ILE A 9 1.074 7.326 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 9 1.346 6.632 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.094 5.317 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.592 4.865 -8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.101 6.601 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.471 8.249 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.256 7.393 -8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.255 3.379 -7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.345 4.329 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.176 4.788 -7.260 1.00 0.00 H new ATOM 145 N PHE A 10 1.668 9.690 -7.589 1.00 0.00 N ATOM 146 CA PHE A 10 1.429 11.093 -7.296 1.00 0.00 C ATOM 147 C PHE A 10 1.659 11.959 -8.536 1.00 0.00 C ATOM 148 O PHE A 10 0.775 12.710 -8.946 1.00 0.00 O ATOM 149 CB PHE A 10 2.428 11.500 -6.212 1.00 0.00 C ATOM 150 CG PHE A 10 2.749 12.996 -6.191 1.00 0.00 C ATOM 151 CD1 PHE A 10 3.738 13.490 -6.983 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.045 13.831 -5.381 1.00 0.00 C ATOM 153 CE1 PHE A 10 4.036 14.878 -6.963 1.00 0.00 C ATOM 154 CE2 PHE A 10 2.343 15.219 -5.362 1.00 0.00 C ATOM 155 CZ PHE A 10 3.332 15.714 -6.153 1.00 0.00 C ATOM 0 H PHE A 10 2.301 9.221 -6.941 1.00 0.00 H new ATOM 0 HA PHE A 10 0.398 11.235 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.031 11.210 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.353 10.942 -6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.296 12.827 -7.627 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.259 13.439 -4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.822 15.270 -7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.784 15.882 -4.719 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.558 16.770 -6.138 1.00 0.00 H new ATOM 165 N GLU A 11 2.851 11.826 -9.099 1.00 0.00 N ATOM 166 CA GLU A 11 3.209 12.587 -10.284 1.00 0.00 C ATOM 167 C GLU A 11 2.278 12.229 -11.445 1.00 0.00 C ATOM 168 O GLU A 11 1.845 13.107 -12.190 1.00 0.00 O ATOM 169 CB GLU A 11 4.673 12.355 -10.663 1.00 0.00 C ATOM 170 CG GLU A 11 5.403 13.684 -10.865 1.00 0.00 C ATOM 171 CD GLU A 11 6.272 13.646 -12.124 1.00 0.00 C ATOM 172 OE1 GLU A 11 7.093 12.708 -12.219 1.00 0.00 O ATOM 173 OE2 GLU A 11 6.096 14.556 -12.963 1.00 0.00 O ATOM 0 H GLU A 11 3.582 11.202 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 11 3.090 13.647 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.168 11.779 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.727 11.764 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.677 14.493 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.025 13.897 -9.996 1.00 0.00 H new ATOM 180 N LYS A 12 1.999 10.940 -11.562 1.00 0.00 N ATOM 181 CA LYS A 12 1.128 10.456 -12.619 1.00 0.00 C ATOM 182 C LYS A 12 -0.216 11.184 -12.541 1.00 0.00 C ATOM 183 O LYS A 12 -0.935 11.274 -13.535 1.00 0.00 O ATOM 184 CB LYS A 12 1.006 8.932 -12.558 1.00 0.00 C ATOM 185 CG LYS A 12 0.835 8.338 -13.958 1.00 0.00 C ATOM 186 CD LYS A 12 -0.491 7.584 -14.075 1.00 0.00 C ATOM 187 CE LYS A 12 -0.525 6.728 -15.343 1.00 0.00 C ATOM 188 NZ LYS A 12 -1.601 5.716 -15.256 1.00 0.00 N ATOM 0 H LYS A 12 2.361 10.215 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 12 1.556 10.679 -13.596 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.894 8.511 -12.087 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.154 8.657 -11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.872 9.134 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.662 7.662 -14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.631 6.950 -13.200 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.317 8.295 -14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.685 7.364 -16.214 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.437 6.234 -15.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.610 5.144 -16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.432 5.099 -14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.518 6.193 -15.146 1.00 0.00 H new ATOM 202 N TYR A 13 -0.513 11.684 -11.351 1.00 0.00 N ATOM 203 CA TYR A 13 -1.757 12.402 -11.130 1.00 0.00 C ATOM 204 C TYR A 13 -1.551 13.912 -11.267 1.00 0.00 C ATOM 205 O TYR A 13 -2.357 14.598 -11.893 1.00 0.00 O ATOM 206 CB TYR A 13 -2.178 12.084 -9.694 1.00 0.00 C ATOM 207 CG TYR A 13 -3.174 10.929 -9.579 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.767 9.637 -9.844 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.480 11.179 -9.209 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.705 8.550 -9.735 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.418 10.092 -9.100 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.985 8.831 -9.369 1.00 0.00 C ATOM 213 OH TYR A 13 -5.871 7.804 -9.266 1.00 0.00 O ATOM 0 H TYR A 13 0.086 11.606 -10.529 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.508 12.103 -11.861 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.289 11.843 -9.111 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.619 12.976 -9.250 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.745 9.441 -10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.798 12.190 -9.001 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.399 7.534 -9.939 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.443 10.274 -8.811 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.746 8.153 -8.995 1.00 0.00 H new ATOM 223 N ALA A 14 -0.467 14.385 -10.670 1.00 0.00 N ATOM 224 CA ALA A 14 -0.145 15.801 -10.717 1.00 0.00 C ATOM 225 C ALA A 14 0.093 16.218 -12.169 1.00 0.00 C ATOM 226 O ALA A 14 0.002 17.398 -12.503 1.00 0.00 O ATOM 227 CB ALA A 14 1.067 16.079 -9.825 1.00 0.00 C ATOM 0 H ALA A 14 0.199 13.813 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.975 16.396 -10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.309 17.141 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.837 15.793 -8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.920 15.501 -10.180 1.00 0.00 H new ATOM 233 N ALA A 15 0.393 15.225 -12.995 1.00 0.00 N ATOM 234 CA ALA A 15 0.645 15.474 -14.404 1.00 0.00 C ATOM 235 C ALA A 15 -0.688 15.529 -15.153 1.00 0.00 C ATOM 236 O ALA A 15 -0.777 16.126 -16.225 1.00 0.00 O ATOM 237 CB ALA A 15 1.579 14.395 -14.954 1.00 0.00 C ATOM 0 H ALA A 15 0.467 14.247 -12.715 1.00 0.00 H new ATOM 0 HA ALA A 15 1.141 16.435 -14.542 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.768 14.582 -16.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.522 14.417 -14.407 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.114 13.416 -14.836 1.00 0.00 H new ATOM 243 N LYS A 16 -1.690 14.898 -14.560 1.00 0.00 N ATOM 244 CA LYS A 16 -3.014 14.867 -15.158 1.00 0.00 C ATOM 245 C LYS A 16 -3.478 16.299 -15.433 1.00 0.00 C ATOM 246 O LYS A 16 -3.652 16.688 -16.587 1.00 0.00 O ATOM 247 CB LYS A 16 -3.979 14.065 -14.283 1.00 0.00 C ATOM 248 CG LYS A 16 -4.707 12.998 -15.103 1.00 0.00 C ATOM 249 CD LYS A 16 -5.895 12.426 -14.328 1.00 0.00 C ATOM 250 CE LYS A 16 -7.020 12.009 -15.278 1.00 0.00 C ATOM 251 NZ LYS A 16 -6.860 10.593 -15.680 1.00 0.00 N ATOM 0 H LYS A 16 -1.612 14.404 -13.671 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.987 14.350 -16.117 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.429 13.591 -13.470 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.706 14.737 -13.827 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.055 13.430 -16.041 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.015 12.196 -15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.571 11.566 -13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.266 13.170 -13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.985 12.148 -14.791 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.013 12.647 -16.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.631 10.326 -16.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.947 10.470 -16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.889 9.987 -14.835 1.00 0.00 H new ATOM 265 N GLU A 17 -3.665 17.044 -14.354 1.00 0.00 N ATOM 266 CA GLU A 17 -4.106 18.424 -14.464 1.00 0.00 C ATOM 267 C GLU A 17 -3.064 19.364 -13.854 1.00 0.00 C ATOM 268 O GLU A 17 -2.622 19.157 -12.725 1.00 0.00 O ATOM 269 CB GLU A 17 -5.473 18.618 -13.805 1.00 0.00 C ATOM 270 CG GLU A 17 -6.583 17.992 -14.651 1.00 0.00 C ATOM 271 CD GLU A 17 -7.758 18.958 -14.815 1.00 0.00 C ATOM 272 OE1 GLU A 17 -8.035 19.686 -13.837 1.00 0.00 O ATOM 273 OE2 GLU A 17 -8.354 18.946 -15.914 1.00 0.00 O ATOM 0 H GLU A 17 -3.519 16.718 -13.399 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.212 18.668 -15.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.469 18.168 -12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.669 19.682 -13.672 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.190 17.722 -15.631 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.928 17.071 -14.181 1.00 0.00 H new ATOM 280 N GLY A 18 -2.703 20.378 -14.627 1.00 0.00 N ATOM 281 CA GLY A 18 -1.722 21.350 -14.176 1.00 0.00 C ATOM 282 C GLY A 18 -0.340 20.710 -14.036 1.00 0.00 C ATOM 283 O GLY A 18 -0.174 19.519 -14.295 1.00 0.00 O ATOM 0 H GLY A 18 -3.072 20.547 -15.563 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.673 22.178 -14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.032 21.767 -13.218 1.00 0.00 H new ATOM 287 N ASP A 19 0.618 21.529 -13.625 1.00 0.00 N ATOM 288 CA ASP A 19 1.980 21.057 -13.447 1.00 0.00 C ATOM 289 C ASP A 19 1.991 19.912 -12.432 1.00 0.00 C ATOM 290 O ASP A 19 1.289 19.965 -11.424 1.00 0.00 O ATOM 291 CB ASP A 19 2.883 22.171 -12.913 1.00 0.00 C ATOM 292 CG ASP A 19 4.342 22.095 -13.368 1.00 0.00 C ATOM 293 OD1 ASP A 19 5.084 21.289 -12.765 1.00 0.00 O ATOM 294 OD2 ASP A 19 4.683 22.844 -14.309 1.00 0.00 O ATOM 0 H ASP A 19 0.477 22.516 -13.410 1.00 0.00 H new ATOM 0 HA ASP A 19 2.351 20.725 -14.417 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.471 23.132 -13.223 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.856 22.149 -11.824 1.00 0.00 H new ATOM 299 N PRO A 20 2.816 18.877 -12.742 1.00 0.00 N ATOM 300 CA PRO A 20 2.927 17.721 -11.869 1.00 0.00 C ATOM 301 C PRO A 20 3.753 18.051 -10.624 1.00 0.00 C ATOM 302 O PRO A 20 3.920 17.209 -9.744 1.00 0.00 O ATOM 303 CB PRO A 20 3.557 16.637 -12.729 1.00 0.00 C ATOM 304 CG PRO A 20 4.200 17.357 -13.903 1.00 0.00 C ATOM 305 CD PRO A 20 3.662 18.779 -13.928 1.00 0.00 C ATOM 0 HA PRO A 20 1.962 17.393 -11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.298 16.072 -12.164 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.806 15.925 -13.071 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.285 17.361 -13.801 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.970 16.845 -14.837 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.471 19.509 -13.899 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.093 18.971 -14.837 1.00 0.00 H new ATOM 313 N ASN A 21 4.248 19.280 -10.591 1.00 0.00 N ATOM 314 CA ASN A 21 5.052 19.732 -9.468 1.00 0.00 C ATOM 315 C ASN A 21 4.154 20.449 -8.459 1.00 0.00 C ATOM 316 O ASN A 21 4.642 21.031 -7.492 1.00 0.00 O ATOM 317 CB ASN A 21 6.130 20.718 -9.925 1.00 0.00 C ATOM 318 CG ASN A 21 7.278 19.989 -10.627 1.00 0.00 C ATOM 319 OD1 ASN A 21 8.400 19.939 -10.151 1.00 0.00 O ATOM 320 ND2 ASN A 21 6.935 19.428 -11.783 1.00 0.00 N ATOM 0 H ASN A 21 4.108 19.976 -11.323 1.00 0.00 H new ATOM 0 HA ASN A 21 5.527 18.859 -9.020 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.693 21.452 -10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.515 21.266 -9.065 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.630 18.918 -12.328 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.977 19.508 -12.124 1.00 0.00 H new ATOM 327 N GLN A 22 2.856 20.382 -8.718 1.00 0.00 N ATOM 328 CA GLN A 22 1.885 21.017 -7.844 1.00 0.00 C ATOM 329 C GLN A 22 0.529 20.318 -7.960 1.00 0.00 C ATOM 330 O GLN A 22 -0.007 20.174 -9.058 1.00 0.00 O ATOM 331 CB GLN A 22 1.761 22.510 -8.155 1.00 0.00 C ATOM 332 CG GLN A 22 2.091 22.794 -9.621 1.00 0.00 C ATOM 333 CD GLN A 22 2.045 24.295 -9.913 1.00 0.00 C ATOM 334 OE1 GLN A 22 0.999 24.876 -10.150 1.00 0.00 O ATOM 335 NE2 GLN A 22 3.235 24.888 -9.883 1.00 0.00 N ATOM 0 H GLN A 22 2.455 19.898 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 22 2.234 20.922 -6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.749 22.848 -7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.434 23.076 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.081 22.404 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.382 22.273 -10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.072 24.342 -9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.311 25.889 -10.065 1.00 0.00 H new ATOM 344 N LEU A 23 0.012 19.903 -6.813 1.00 0.00 N ATOM 345 CA LEU A 23 -1.271 19.223 -6.773 1.00 0.00 C ATOM 346 C LEU A 23 -2.387 20.257 -6.617 1.00 0.00 C ATOM 347 O LEU A 23 -2.161 21.345 -6.088 1.00 0.00 O ATOM 348 CB LEU A 23 -1.273 18.147 -5.684 1.00 0.00 C ATOM 349 CG LEU A 23 -0.447 16.894 -5.978 1.00 0.00 C ATOM 350 CD1 LEU A 23 -1.303 15.817 -6.648 1.00 0.00 C ATOM 351 CD2 LEU A 23 0.794 17.236 -6.804 1.00 0.00 C ATOM 0 H LEU A 23 0.459 20.025 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.453 18.697 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.904 18.593 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.304 17.844 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.099 16.485 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.691 14.937 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.127 15.545 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.701 16.201 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.363 16.327 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.489 17.683 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.415 17.942 -6.252 1.00 0.00 H new ATOM 363 N SER A 24 -3.568 19.883 -7.088 1.00 0.00 N ATOM 364 CA SER A 24 -4.720 20.765 -7.008 1.00 0.00 C ATOM 365 C SER A 24 -5.879 20.049 -6.313 1.00 0.00 C ATOM 366 O SER A 24 -5.870 18.826 -6.183 1.00 0.00 O ATOM 367 CB SER A 24 -5.147 21.240 -8.398 1.00 0.00 C ATOM 368 OG SER A 24 -4.151 22.053 -9.014 1.00 0.00 O ATOM 0 H SER A 24 -3.752 18.981 -7.527 1.00 0.00 H new ATOM 0 HA SER A 24 -4.440 21.642 -6.424 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.351 20.375 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.077 21.803 -8.319 1.00 0.00 H new ATOM 0 HG SER A 24 -4.461 22.335 -9.900 1.00 0.00 H new ATOM 374 N LYS A 25 -6.850 20.842 -5.883 1.00 0.00 N ATOM 375 CA LYS A 25 -8.014 20.300 -5.204 1.00 0.00 C ATOM 376 C LYS A 25 -8.660 19.228 -6.085 1.00 0.00 C ATOM 377 O LYS A 25 -8.772 18.072 -5.679 1.00 0.00 O ATOM 378 CB LYS A 25 -8.971 21.424 -4.802 1.00 0.00 C ATOM 379 CG LYS A 25 -10.111 20.888 -3.932 1.00 0.00 C ATOM 380 CD LYS A 25 -11.291 21.862 -3.914 1.00 0.00 C ATOM 381 CE LYS A 25 -12.350 21.460 -4.941 1.00 0.00 C ATOM 382 NZ LYS A 25 -12.243 22.301 -6.154 1.00 0.00 N ATOM 0 H LYS A 25 -6.854 21.856 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.720 19.814 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.425 22.195 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.381 21.895 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.439 19.920 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.753 20.726 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.734 21.883 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.938 22.871 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.226 20.410 -5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.344 21.564 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.001 22.049 -6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.333 23.303 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.320 22.143 -6.606 1.00 0.00 H new ATOM 396 N GLU A 26 -9.067 19.650 -7.273 1.00 0.00 N ATOM 397 CA GLU A 26 -9.698 18.741 -8.214 1.00 0.00 C ATOM 398 C GLU A 26 -8.787 17.541 -8.485 1.00 0.00 C ATOM 399 O GLU A 26 -9.259 16.409 -8.585 1.00 0.00 O ATOM 400 CB GLU A 26 -10.058 19.461 -9.515 1.00 0.00 C ATOM 401 CG GLU A 26 -11.569 19.430 -9.758 1.00 0.00 C ATOM 402 CD GLU A 26 -11.882 19.102 -11.219 1.00 0.00 C ATOM 403 OE1 GLU A 26 -11.431 19.881 -12.085 1.00 0.00 O ATOM 404 OE2 GLU A 26 -12.566 18.079 -11.436 1.00 0.00 O ATOM 0 H GLU A 26 -8.972 20.610 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.625 18.376 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.714 20.494 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.542 18.989 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.030 18.687 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.003 20.395 -9.497 1.00 0.00 H new ATOM 411 N GLU A 27 -7.499 17.830 -8.598 1.00 0.00 N ATOM 412 CA GLU A 27 -6.518 16.790 -8.856 1.00 0.00 C ATOM 413 C GLU A 27 -6.489 15.790 -7.698 1.00 0.00 C ATOM 414 O GLU A 27 -6.678 14.592 -7.903 1.00 0.00 O ATOM 415 CB GLU A 27 -5.132 17.391 -9.097 1.00 0.00 C ATOM 416 CG GLU A 27 -4.765 17.345 -10.581 1.00 0.00 C ATOM 417 CD GLU A 27 -3.425 16.637 -10.793 1.00 0.00 C ATOM 418 OE1 GLU A 27 -3.090 15.789 -9.938 1.00 0.00 O ATOM 419 OE2 GLU A 27 -2.766 16.961 -11.804 1.00 0.00 O ATOM 0 H GLU A 27 -7.112 18.770 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.809 16.259 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.113 18.423 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.389 16.843 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.546 16.826 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.711 18.359 -10.978 1.00 0.00 H new ATOM 426 N LEU A 28 -6.250 16.318 -6.507 1.00 0.00 N ATOM 427 CA LEU A 28 -6.193 15.487 -5.317 1.00 0.00 C ATOM 428 C LEU A 28 -7.474 14.654 -5.220 1.00 0.00 C ATOM 429 O LEU A 28 -7.419 13.454 -4.958 1.00 0.00 O ATOM 430 CB LEU A 28 -5.921 16.342 -4.078 1.00 0.00 C ATOM 431 CG LEU A 28 -5.177 15.649 -2.935 1.00 0.00 C ATOM 432 CD1 LEU A 28 -4.189 14.612 -3.473 1.00 0.00 C ATOM 433 CD2 LEU A 28 -4.495 16.672 -2.025 1.00 0.00 C ATOM 0 H LEU A 28 -6.093 17.312 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.360 14.787 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.345 17.216 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.875 16.707 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.907 15.114 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.673 14.134 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.729 13.858 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.460 15.104 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.973 16.153 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.779 17.255 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.246 17.338 -1.600 1.00 0.00 H new ATOM 445 N LYS A 29 -8.595 15.325 -5.437 1.00 0.00 N ATOM 446 CA LYS A 29 -9.887 14.663 -5.377 1.00 0.00 C ATOM 447 C LYS A 29 -9.786 13.296 -6.058 1.00 0.00 C ATOM 448 O LYS A 29 -10.110 12.273 -5.456 1.00 0.00 O ATOM 449 CB LYS A 29 -10.978 15.562 -5.962 1.00 0.00 C ATOM 450 CG LYS A 29 -12.346 14.880 -5.892 1.00 0.00 C ATOM 451 CD LYS A 29 -13.469 15.871 -6.207 1.00 0.00 C ATOM 452 CE LYS A 29 -14.122 15.549 -7.553 1.00 0.00 C ATOM 453 NZ LYS A 29 -15.445 14.918 -7.349 1.00 0.00 N ATOM 0 H LYS A 29 -8.636 16.321 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.176 14.484 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.009 16.505 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.740 15.802 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.379 14.050 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.496 14.459 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.220 15.839 -5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.070 16.885 -6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.234 16.462 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.478 14.881 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.875 14.706 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.330 14.036 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.062 15.568 -6.821 1.00 0.00 H new ATOM 467 N LEU A 30 -9.337 13.323 -7.304 1.00 0.00 N ATOM 468 CA LEU A 30 -9.189 12.099 -8.073 1.00 0.00 C ATOM 469 C LEU A 30 -8.340 11.104 -7.281 1.00 0.00 C ATOM 470 O LEU A 30 -8.778 9.987 -7.010 1.00 0.00 O ATOM 471 CB LEU A 30 -8.638 12.406 -9.467 1.00 0.00 C ATOM 472 CG LEU A 30 -9.466 13.370 -10.319 1.00 0.00 C ATOM 473 CD1 LEU A 30 -9.075 13.271 -11.795 1.00 0.00 C ATOM 474 CD2 LEU A 30 -10.964 13.142 -10.106 1.00 0.00 C ATOM 0 H LEU A 30 -9.071 14.173 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.160 11.631 -8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.636 12.820 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.537 11.467 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.246 14.387 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.678 13.966 -12.379 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.020 13.521 -11.910 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.247 12.255 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.530 13.840 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.220 12.120 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.211 13.303 -9.057 1.00 0.00 H new ATOM 486 N LEU A 31 -7.140 11.544 -6.932 1.00 0.00 N ATOM 487 CA LEU A 31 -6.225 10.705 -6.177 1.00 0.00 C ATOM 488 C LEU A 31 -6.949 10.142 -4.953 1.00 0.00 C ATOM 489 O LEU A 31 -7.139 8.932 -4.842 1.00 0.00 O ATOM 490 CB LEU A 31 -4.949 11.477 -5.835 1.00 0.00 C ATOM 491 CG LEU A 31 -3.692 10.632 -5.618 1.00 0.00 C ATOM 492 CD1 LEU A 31 -2.691 10.835 -6.757 1.00 0.00 C ATOM 493 CD2 LEU A 31 -3.069 10.918 -4.250 1.00 0.00 C ATOM 0 H LEU A 31 -6.780 12.471 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.904 9.854 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.751 12.187 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.131 12.060 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.981 9.581 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.807 10.223 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.150 10.542 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.402 11.885 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.177 10.305 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.797 11.972 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.788 10.682 -3.466 1.00 0.00 H new ATOM 505 N LEU A 32 -7.335 11.046 -4.065 1.00 0.00 N ATOM 506 CA LEU A 32 -8.035 10.655 -2.853 1.00 0.00 C ATOM 507 C LEU A 32 -9.195 9.727 -3.217 1.00 0.00 C ATOM 508 O LEU A 32 -9.673 8.965 -2.377 1.00 0.00 O ATOM 509 CB LEU A 32 -8.461 11.890 -2.057 1.00 0.00 C ATOM 510 CG LEU A 32 -7.347 12.877 -1.702 1.00 0.00 C ATOM 511 CD1 LEU A 32 -7.926 14.208 -1.221 1.00 0.00 C ATOM 512 CD2 LEU A 32 -6.381 12.270 -0.682 1.00 0.00 C ATOM 0 H LEU A 32 -7.176 12.049 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.372 10.094 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.222 12.422 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.932 11.557 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.773 13.084 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.113 14.891 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.540 14.644 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.538 14.039 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.599 12.992 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.925 12.015 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.930 11.370 -1.099 1.00 0.00 H new ATOM 524 N GLN A 33 -9.616 9.821 -4.469 1.00 0.00 N ATOM 525 CA GLN A 33 -10.712 8.999 -4.955 1.00 0.00 C ATOM 526 C GLN A 33 -10.282 7.533 -5.032 1.00 0.00 C ATOM 527 O GLN A 33 -10.996 6.647 -4.564 1.00 0.00 O ATOM 528 CB GLN A 33 -11.211 9.497 -6.313 1.00 0.00 C ATOM 529 CG GLN A 33 -12.740 9.532 -6.356 1.00 0.00 C ATOM 530 CD GLN A 33 -13.256 9.235 -7.765 1.00 0.00 C ATOM 531 OE1 GLN A 33 -13.698 8.141 -8.074 1.00 0.00 O ATOM 532 NE2 GLN A 33 -13.174 10.268 -8.600 1.00 0.00 N ATOM 0 H GLN A 33 -9.218 10.454 -5.163 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.540 9.078 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.815 10.494 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.836 8.846 -7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.144 8.801 -5.655 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.094 10.511 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.793 11.157 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.492 10.171 -9.564 1.00 0.00 H new ATOM 541 N THR A 34 -9.117 7.322 -5.627 1.00 0.00 N ATOM 542 CA THR A 34 -8.584 5.978 -5.772 1.00 0.00 C ATOM 543 C THR A 34 -7.519 5.709 -4.706 1.00 0.00 C ATOM 544 O THR A 34 -7.599 4.720 -3.980 1.00 0.00 O ATOM 545 CB THR A 34 -8.063 5.828 -7.203 1.00 0.00 C ATOM 546 OG1 THR A 34 -9.092 5.105 -7.873 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.844 4.907 -7.289 1.00 0.00 C ATOM 0 H THR A 34 -8.528 8.059 -6.014 1.00 0.00 H new ATOM 0 HA THR A 34 -9.357 5.226 -5.612 1.00 0.00 H new ATOM 0 HB THR A 34 -7.805 6.810 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.837 4.965 -8.809 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.515 4.835 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.037 5.313 -6.679 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.111 3.915 -6.924 1.00 0.00 H new ATOM 555 N GLU A 35 -6.547 6.607 -4.647 1.00 0.00 N ATOM 556 CA GLU A 35 -5.468 6.479 -3.683 1.00 0.00 C ATOM 557 C GLU A 35 -6.030 6.157 -2.297 1.00 0.00 C ATOM 558 O GLU A 35 -5.671 5.145 -1.697 1.00 0.00 O ATOM 559 CB GLU A 35 -4.612 7.746 -3.646 1.00 0.00 C ATOM 560 CG GLU A 35 -3.623 7.707 -2.479 1.00 0.00 C ATOM 561 CD GLU A 35 -2.181 7.825 -2.978 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.937 7.378 -4.119 1.00 0.00 O ATOM 563 OE2 GLU A 35 -1.356 8.359 -2.206 1.00 0.00 O ATOM 0 H GLU A 35 -6.484 7.426 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.826 5.655 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.068 7.849 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.255 8.621 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.840 8.521 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.745 6.776 -1.925 1.00 0.00 H new ATOM 570 N PHE A 36 -6.903 7.037 -1.828 1.00 0.00 N ATOM 571 CA PHE A 36 -7.518 6.859 -0.524 1.00 0.00 C ATOM 572 C PHE A 36 -8.906 7.501 -0.481 1.00 0.00 C ATOM 573 O PHE A 36 -9.043 8.667 -0.114 1.00 0.00 O ATOM 574 CB PHE A 36 -6.615 7.555 0.495 1.00 0.00 C ATOM 575 CG PHE A 36 -5.245 6.895 0.667 1.00 0.00 C ATOM 576 CD1 PHE A 36 -5.158 5.551 0.861 1.00 0.00 C ATOM 577 CD2 PHE A 36 -4.116 7.651 0.625 1.00 0.00 C ATOM 578 CE1 PHE A 36 -3.887 4.938 1.020 1.00 0.00 C ATOM 579 CE2 PHE A 36 -2.845 7.038 0.784 1.00 0.00 C ATOM 580 CZ PHE A 36 -2.757 5.695 0.978 1.00 0.00 C ATOM 0 H PHE A 36 -7.199 7.875 -2.328 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.632 5.797 -0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.472 8.591 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.121 7.574 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.055 4.951 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.186 8.718 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.817 3.871 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.948 7.639 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.790 5.229 1.099 1.00 0.00 H new ATOM 590 N PRO A 37 -9.927 6.691 -0.871 1.00 0.00 N ATOM 591 CA PRO A 37 -11.299 7.168 -0.880 1.00 0.00 C ATOM 592 C PRO A 37 -11.861 7.249 0.541 1.00 0.00 C ATOM 593 O PRO A 37 -12.683 8.115 0.839 1.00 0.00 O ATOM 594 CB PRO A 37 -12.052 6.185 -1.761 1.00 0.00 C ATOM 595 CG PRO A 37 -11.182 4.940 -1.834 1.00 0.00 C ATOM 596 CD PRO A 37 -9.802 5.305 -1.312 1.00 0.00 C ATOM 0 HA PRO A 37 -11.389 8.182 -1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.031 5.954 -1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.222 6.601 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.615 4.136 -1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.119 4.578 -2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.504 4.653 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.045 5.204 -2.090 1.00 0.00 H new ATOM 604 N SER A 38 -11.395 6.336 1.380 1.00 0.00 N ATOM 605 CA SER A 38 -11.840 6.293 2.762 1.00 0.00 C ATOM 606 C SER A 38 -11.578 7.640 3.439 1.00 0.00 C ATOM 607 O SER A 38 -12.284 8.018 4.373 1.00 0.00 O ATOM 608 CB SER A 38 -11.144 5.169 3.531 1.00 0.00 C ATOM 609 OG SER A 38 -12.031 4.507 4.429 1.00 0.00 O ATOM 0 H SER A 38 -10.713 5.620 1.129 1.00 0.00 H new ATOM 0 HA SER A 38 -12.911 6.092 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.736 4.445 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.302 5.579 4.089 1.00 0.00 H new ATOM 0 HG SER A 38 -11.549 3.795 4.899 1.00 0.00 H new ATOM 615 N LEU A 39 -10.560 8.328 2.941 1.00 0.00 N ATOM 616 CA LEU A 39 -10.196 9.625 3.486 1.00 0.00 C ATOM 617 C LEU A 39 -11.277 10.646 3.127 1.00 0.00 C ATOM 618 O LEU A 39 -11.385 11.691 3.766 1.00 0.00 O ATOM 619 CB LEU A 39 -8.794 10.025 3.023 1.00 0.00 C ATOM 620 CG LEU A 39 -7.768 10.277 4.130 1.00 0.00 C ATOM 621 CD1 LEU A 39 -6.425 10.715 3.543 1.00 0.00 C ATOM 622 CD2 LEU A 39 -8.301 11.280 5.154 1.00 0.00 C ATOM 0 H LEU A 39 -9.976 8.012 2.167 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.148 9.582 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.410 9.240 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.876 10.929 2.419 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.598 9.339 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.714 10.888 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.044 9.935 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.559 11.636 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.552 11.441 5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.519 12.226 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.213 10.889 5.606 1.00 0.00 H new ATOM 634 N LEU A 40 -12.050 10.307 2.105 1.00 0.00 N ATOM 635 CA LEU A 40 -13.119 11.182 1.654 1.00 0.00 C ATOM 636 C LEU A 40 -14.281 11.115 2.647 1.00 0.00 C ATOM 637 O LEU A 40 -15.045 12.070 2.779 1.00 0.00 O ATOM 638 CB LEU A 40 -13.518 10.842 0.217 1.00 0.00 C ATOM 639 CG LEU A 40 -12.412 10.962 -0.833 1.00 0.00 C ATOM 640 CD1 LEU A 40 -12.858 10.366 -2.170 1.00 0.00 C ATOM 641 CD2 LEU A 40 -11.949 12.413 -0.979 1.00 0.00 C ATOM 0 H LEU A 40 -11.957 9.439 1.577 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.779 12.217 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.899 9.821 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.341 11.495 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.554 10.383 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.053 10.464 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.099 9.312 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.740 10.897 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.163 12.470 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.790 13.034 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.564 12.770 -0.024 1.00 0.00 H new ATOM 653 N LYS A 41 -14.377 9.978 3.321 1.00 0.00 N ATOM 654 CA LYS A 41 -15.432 9.775 4.298 1.00 0.00 C ATOM 655 C LYS A 41 -15.150 10.633 5.533 1.00 0.00 C ATOM 656 O LYS A 41 -16.076 11.130 6.172 1.00 0.00 O ATOM 657 CB LYS A 41 -15.595 8.285 4.609 1.00 0.00 C ATOM 658 CG LYS A 41 -14.724 7.874 5.798 1.00 0.00 C ATOM 659 CD LYS A 41 -15.500 7.988 7.111 1.00 0.00 C ATOM 660 CE LYS A 41 -15.622 6.625 7.796 1.00 0.00 C ATOM 661 NZ LYS A 41 -16.853 6.565 8.615 1.00 0.00 N ATOM 0 H LYS A 41 -13.741 9.188 3.209 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.391 10.100 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.641 8.068 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.323 7.695 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.379 6.849 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.837 8.506 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.996 8.689 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.494 8.391 6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.638 5.834 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.750 6.449 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.920 5.634 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.822 7.307 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.683 6.712 8.006 1.00 0.00 H new ATOM 675 N GLY A 42 -13.868 10.780 5.832 1.00 0.00 N ATOM 676 CA GLY A 42 -13.453 11.569 6.979 1.00 0.00 C ATOM 677 C GLY A 42 -14.285 12.848 7.095 1.00 0.00 C ATOM 678 O GLY A 42 -14.972 13.234 6.151 1.00 0.00 O ATOM 0 H GLY A 42 -13.103 10.366 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.559 10.978 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.397 11.825 6.886 1.00 0.00 H new ATOM 682 N MET A 43 -14.197 13.470 8.262 1.00 0.00 N ATOM 683 CA MET A 43 -14.933 14.696 8.514 1.00 0.00 C ATOM 684 C MET A 43 -14.286 15.882 7.794 1.00 0.00 C ATOM 685 O MET A 43 -14.810 16.994 7.829 1.00 0.00 O ATOM 686 CB MET A 43 -14.969 14.970 10.019 1.00 0.00 C ATOM 687 CG MET A 43 -15.651 13.824 10.768 1.00 0.00 C ATOM 688 SD MET A 43 -15.111 13.801 12.470 1.00 0.00 S ATOM 689 CE MET A 43 -16.222 12.570 13.131 1.00 0.00 C ATOM 0 H MET A 43 -13.627 13.147 9.043 1.00 0.00 H new ATOM 0 HA MET A 43 -15.947 14.574 8.134 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.954 15.100 10.393 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.501 15.902 10.210 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.734 13.942 10.723 1.00 0.00 H new ATOM 0 HG3 MET A 43 -15.414 12.874 10.290 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.020 12.431 14.193 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.252 12.900 12.998 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.073 11.626 12.606 1.00 0.00 H new ATOM 699 N SER A 44 -13.158 15.603 7.159 1.00 0.00 N ATOM 700 CA SER A 44 -12.434 16.632 6.432 1.00 0.00 C ATOM 701 C SER A 44 -12.872 16.644 4.966 1.00 0.00 C ATOM 702 O SER A 44 -12.393 15.842 4.165 1.00 0.00 O ATOM 703 CB SER A 44 -10.922 16.418 6.533 1.00 0.00 C ATOM 704 OG SER A 44 -10.580 15.035 6.566 1.00 0.00 O ATOM 0 H SER A 44 -12.727 14.679 7.133 1.00 0.00 H new ATOM 0 HA SER A 44 -12.668 17.597 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.431 16.893 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.546 16.906 7.432 1.00 0.00 H new ATOM 0 HG SER A 44 -9.607 14.940 6.629 1.00 0.00 H new ATOM 710 N THR A 45 -13.777 17.562 4.659 1.00 0.00 N ATOM 711 CA THR A 45 -14.284 17.688 3.304 1.00 0.00 C ATOM 712 C THR A 45 -13.154 18.064 2.344 1.00 0.00 C ATOM 713 O THR A 45 -12.051 18.395 2.777 1.00 0.00 O ATOM 714 CB THR A 45 -15.430 18.702 3.320 1.00 0.00 C ATOM 715 OG1 THR A 45 -14.838 19.886 3.849 1.00 0.00 O ATOM 716 CG2 THR A 45 -16.516 18.342 4.336 1.00 0.00 C ATOM 0 H THR A 45 -14.172 18.225 5.326 1.00 0.00 H new ATOM 0 HA THR A 45 -14.676 16.739 2.939 1.00 0.00 H new ATOM 0 HB THR A 45 -15.871 18.767 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.511 20.597 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.305 19.093 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.935 17.366 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.083 18.310 5.336 1.00 0.00 H new ATOM 724 N LEU A 46 -13.467 18.002 1.058 1.00 0.00 N ATOM 725 CA LEU A 46 -12.491 18.332 0.033 1.00 0.00 C ATOM 726 C LEU A 46 -11.874 19.697 0.343 1.00 0.00 C ATOM 727 O LEU A 46 -10.678 19.794 0.614 1.00 0.00 O ATOM 728 CB LEU A 46 -13.124 18.245 -1.357 1.00 0.00 C ATOM 729 CG LEU A 46 -12.186 17.842 -2.497 1.00 0.00 C ATOM 730 CD1 LEU A 46 -11.256 16.707 -2.066 1.00 0.00 C ATOM 731 CD2 LEU A 46 -12.977 17.488 -3.758 1.00 0.00 C ATOM 0 H LEU A 46 -14.383 17.728 0.702 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.678 17.606 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.944 17.528 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.560 19.215 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.557 18.698 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.600 16.440 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.655 17.032 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.850 15.839 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.287 17.205 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.647 16.655 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.562 18.352 -4.075 1.00 0.00 H new ATOM 743 N ASP A 47 -12.718 20.717 0.293 1.00 0.00 N ATOM 744 CA ASP A 47 -12.270 22.073 0.566 1.00 0.00 C ATOM 745 C ASP A 47 -11.375 22.070 1.806 1.00 0.00 C ATOM 746 O ASP A 47 -10.257 22.582 1.770 1.00 0.00 O ATOM 747 CB ASP A 47 -13.456 23.000 0.841 1.00 0.00 C ATOM 748 CG ASP A 47 -13.759 24.009 -0.268 1.00 0.00 C ATOM 749 OD1 ASP A 47 -12.920 24.916 -0.454 1.00 0.00 O ATOM 750 OD2 ASP A 47 -14.823 23.850 -0.905 1.00 0.00 O ATOM 0 H ASP A 47 -13.709 20.632 0.068 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.727 22.431 -0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.343 22.390 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.265 23.545 1.765 1.00 0.00 H new ATOM 755 N GLU A 48 -11.899 21.487 2.874 1.00 0.00 N ATOM 756 CA GLU A 48 -11.161 21.411 4.123 1.00 0.00 C ATOM 757 C GLU A 48 -9.797 20.757 3.895 1.00 0.00 C ATOM 758 O GLU A 48 -8.777 21.261 4.362 1.00 0.00 O ATOM 759 CB GLU A 48 -11.960 20.655 5.187 1.00 0.00 C ATOM 760 CG GLU A 48 -12.421 21.598 6.300 1.00 0.00 C ATOM 761 CD GLU A 48 -12.550 20.853 7.631 1.00 0.00 C ATOM 762 OE1 GLU A 48 -11.488 20.519 8.199 1.00 0.00 O ATOM 763 OE2 GLU A 48 -13.707 20.636 8.049 1.00 0.00 O ATOM 0 H GLU A 48 -12.826 21.063 2.900 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.999 22.425 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.826 20.179 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.347 19.859 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.710 22.417 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.380 22.041 6.032 1.00 0.00 H new ATOM 770 N LEU A 49 -9.822 19.645 3.176 1.00 0.00 N ATOM 771 CA LEU A 49 -8.600 18.917 2.879 1.00 0.00 C ATOM 772 C LEU A 49 -7.642 19.829 2.110 1.00 0.00 C ATOM 773 O LEU A 49 -6.453 19.889 2.420 1.00 0.00 O ATOM 774 CB LEU A 49 -8.918 17.608 2.154 1.00 0.00 C ATOM 775 CG LEU A 49 -8.084 16.393 2.565 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.686 15.705 3.792 1.00 0.00 C ATOM 777 CD2 LEU A 49 -7.910 15.426 1.393 1.00 0.00 C ATOM 0 H LEU A 49 -10.670 19.230 2.790 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.095 18.629 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.970 17.373 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.788 17.768 1.084 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.090 16.740 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.074 14.845 4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.715 16.407 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.698 15.372 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.314 14.571 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.888 15.081 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.404 15.936 0.573 1.00 0.00 H new ATOM 789 N PHE A 50 -8.196 20.517 1.122 1.00 0.00 N ATOM 790 CA PHE A 50 -7.406 21.423 0.306 1.00 0.00 C ATOM 791 C PHE A 50 -6.773 22.522 1.163 1.00 0.00 C ATOM 792 O PHE A 50 -5.567 22.753 1.091 1.00 0.00 O ATOM 793 CB PHE A 50 -8.360 22.066 -0.702 1.00 0.00 C ATOM 794 CG PHE A 50 -7.659 22.869 -1.799 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.755 22.261 -2.613 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.939 24.190 -1.960 1.00 0.00 C ATOM 797 CE1 PHE A 50 -6.103 23.007 -3.632 1.00 0.00 C ATOM 798 CE2 PHE A 50 -7.288 24.935 -2.978 1.00 0.00 C ATOM 799 CZ PHE A 50 -6.384 24.328 -3.792 1.00 0.00 C ATOM 0 H PHE A 50 -9.183 20.465 0.868 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.603 20.875 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.962 21.285 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.047 22.723 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.533 21.212 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.657 24.672 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.385 22.525 -4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.511 25.984 -3.106 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.889 24.895 -4.566 1.00 0.00 H new ATOM 809 N GLU A 51 -7.615 23.169 1.955 1.00 0.00 N ATOM 810 CA GLU A 51 -7.154 24.238 2.824 1.00 0.00 C ATOM 811 C GLU A 51 -6.187 23.687 3.874 1.00 0.00 C ATOM 812 O GLU A 51 -5.130 24.269 4.116 1.00 0.00 O ATOM 813 CB GLU A 51 -8.333 24.954 3.486 1.00 0.00 C ATOM 814 CG GLU A 51 -8.605 26.300 2.812 1.00 0.00 C ATOM 815 CD GLU A 51 -9.511 27.175 3.681 1.00 0.00 C ATOM 816 OE1 GLU A 51 -10.550 26.646 4.130 1.00 0.00 O ATOM 817 OE2 GLU A 51 -9.142 28.354 3.877 1.00 0.00 O ATOM 0 H GLU A 51 -8.614 22.973 2.013 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.622 24.970 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.223 24.327 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.121 25.109 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.663 26.816 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.073 26.137 1.841 1.00 0.00 H new ATOM 824 N GLU A 52 -6.583 22.572 4.470 1.00 0.00 N ATOM 825 CA GLU A 52 -5.764 21.937 5.489 1.00 0.00 C ATOM 826 C GLU A 52 -4.416 21.517 4.901 1.00 0.00 C ATOM 827 O GLU A 52 -3.365 21.919 5.399 1.00 0.00 O ATOM 828 CB GLU A 52 -6.489 20.739 6.106 1.00 0.00 C ATOM 829 CG GLU A 52 -5.954 20.437 7.507 1.00 0.00 C ATOM 830 CD GLU A 52 -6.772 19.332 8.180 1.00 0.00 C ATOM 831 OE1 GLU A 52 -6.400 18.154 7.989 1.00 0.00 O ATOM 832 OE2 GLU A 52 -7.750 19.691 8.871 1.00 0.00 O ATOM 0 H GLU A 52 -7.460 22.092 4.267 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.582 22.660 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.558 20.944 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.362 19.864 5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.909 20.133 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.987 21.341 8.115 1.00 0.00 H new ATOM 839 N LEU A 53 -4.489 20.715 3.849 1.00 0.00 N ATOM 840 CA LEU A 53 -3.286 20.236 3.188 1.00 0.00 C ATOM 841 C LEU A 53 -2.448 21.434 2.736 1.00 0.00 C ATOM 842 O LEU A 53 -1.256 21.508 3.031 1.00 0.00 O ATOM 843 CB LEU A 53 -3.645 19.274 2.054 1.00 0.00 C ATOM 844 CG LEU A 53 -4.467 18.046 2.451 1.00 0.00 C ATOM 845 CD1 LEU A 53 -5.324 17.557 1.282 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.566 16.939 3.003 1.00 0.00 C ATOM 0 H LEU A 53 -5.362 20.385 3.438 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.673 19.660 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.199 19.828 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.721 18.933 1.588 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.149 18.336 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.898 16.684 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.007 18.349 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.679 17.289 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.175 16.078 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.843 16.645 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.037 17.305 3.883 1.00 0.00 H new ATOM 858 N ASP A 54 -3.103 22.341 2.027 1.00 0.00 N ATOM 859 CA ASP A 54 -2.433 23.531 1.531 1.00 0.00 C ATOM 860 C ASP A 54 -2.201 24.501 2.691 1.00 0.00 C ATOM 861 O ASP A 54 -3.077 25.298 3.023 1.00 0.00 O ATOM 862 CB ASP A 54 -3.285 24.246 0.480 1.00 0.00 C ATOM 863 CG ASP A 54 -2.500 25.107 -0.511 1.00 0.00 C ATOM 864 OD1 ASP A 54 -1.481 24.597 -1.025 1.00 0.00 O ATOM 865 OD2 ASP A 54 -2.937 26.257 -0.733 1.00 0.00 O ATOM 0 H ASP A 54 -4.091 22.276 1.784 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.489 23.223 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.849 23.499 -0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.011 24.878 0.991 1.00 0.00 H new ATOM 870 N LYS A 55 -1.017 24.401 3.276 1.00 0.00 N ATOM 871 CA LYS A 55 -0.659 25.260 4.392 1.00 0.00 C ATOM 872 C LYS A 55 0.451 26.219 3.957 1.00 0.00 C ATOM 873 O LYS A 55 0.840 27.108 4.713 1.00 0.00 O ATOM 874 CB LYS A 55 -0.299 24.421 5.620 1.00 0.00 C ATOM 875 CG LYS A 55 -1.458 24.387 6.619 1.00 0.00 C ATOM 876 CD LYS A 55 -0.941 24.279 8.055 1.00 0.00 C ATOM 877 CE LYS A 55 -1.963 23.582 8.955 1.00 0.00 C ATOM 878 NZ LYS A 55 -1.382 23.315 10.290 1.00 0.00 N ATOM 0 H LYS A 55 -0.293 23.738 2.998 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.511 25.871 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.050 23.406 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.588 24.834 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.061 25.289 6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.108 23.541 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.003 23.724 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.728 25.275 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.851 24.205 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.281 22.646 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.089 22.842 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.548 22.702 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.100 24.213 10.732 1.00 0.00 H new ATOM 892 N ASN A 56 0.929 26.007 2.740 1.00 0.00 N ATOM 893 CA ASN A 56 1.986 26.842 2.194 1.00 0.00 C ATOM 894 C ASN A 56 1.367 28.077 1.538 1.00 0.00 C ATOM 895 O ASN A 56 2.056 28.831 0.853 1.00 0.00 O ATOM 896 CB ASN A 56 2.786 26.091 1.129 1.00 0.00 C ATOM 897 CG ASN A 56 3.602 24.957 1.753 1.00 0.00 C ATOM 898 OD1 ASN A 56 3.382 23.785 1.496 1.00 0.00 O ATOM 899 ND2 ASN A 56 4.554 25.370 2.585 1.00 0.00 N ATOM 0 H ASN A 56 0.604 25.269 2.116 1.00 0.00 H new ATOM 0 HA ASN A 56 2.650 27.123 3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.108 25.685 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.453 26.783 0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.153 24.690 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.685 26.367 2.756 1.00 0.00 H new ATOM 906 N GLY A 57 0.073 28.245 1.769 1.00 0.00 N ATOM 907 CA GLY A 57 -0.646 29.376 1.209 1.00 0.00 C ATOM 908 C GLY A 57 -0.145 29.702 -0.200 1.00 0.00 C ATOM 909 O GLY A 57 0.348 30.801 -0.448 1.00 0.00 O ATOM 0 H GLY A 57 -0.496 27.617 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.713 29.154 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.521 30.246 1.854 1.00 0.00 H new ATOM 913 N ASP A 58 -0.288 28.726 -1.084 1.00 0.00 N ATOM 914 CA ASP A 58 0.144 28.895 -2.461 1.00 0.00 C ATOM 915 C ASP A 58 -0.957 28.401 -3.401 1.00 0.00 C ATOM 916 O ASP A 58 -1.326 29.093 -4.349 1.00 0.00 O ATOM 917 CB ASP A 58 1.408 28.081 -2.745 1.00 0.00 C ATOM 918 CG ASP A 58 2.581 28.358 -1.802 1.00 0.00 C ATOM 919 OD1 ASP A 58 2.700 29.525 -1.372 1.00 0.00 O ATOM 920 OD2 ASP A 58 3.333 27.395 -1.534 1.00 0.00 O ATOM 0 H ASP A 58 -0.697 27.815 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 58 0.352 29.953 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.160 27.021 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.728 28.281 -3.768 1.00 0.00 H new ATOM 925 N GLY A 59 -1.451 27.208 -3.106 1.00 0.00 N ATOM 926 CA GLY A 59 -2.503 26.613 -3.913 1.00 0.00 C ATOM 927 C GLY A 59 -2.024 25.317 -4.571 1.00 0.00 C ATOM 928 O GLY A 59 -2.639 24.834 -5.520 1.00 0.00 O ATOM 0 H GLY A 59 -1.142 26.637 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.373 26.408 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.820 27.319 -4.681 1.00 0.00 H new ATOM 932 N GLU A 60 -0.930 24.791 -4.039 1.00 0.00 N ATOM 933 CA GLU A 60 -0.361 23.561 -4.562 1.00 0.00 C ATOM 934 C GLU A 60 -0.065 22.586 -3.421 1.00 0.00 C ATOM 935 O GLU A 60 0.600 22.944 -2.450 1.00 0.00 O ATOM 936 CB GLU A 60 0.899 23.844 -5.382 1.00 0.00 C ATOM 937 CG GLU A 60 0.636 24.921 -6.437 1.00 0.00 C ATOM 938 CD GLU A 60 1.022 26.306 -5.914 1.00 0.00 C ATOM 939 OE1 GLU A 60 0.567 26.639 -4.798 1.00 0.00 O ATOM 940 OE2 GLU A 60 1.763 27.001 -6.642 1.00 0.00 O ATOM 0 H GLU A 60 -0.423 25.194 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.091 23.101 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.703 24.167 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.234 22.928 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.205 24.698 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.418 24.914 -6.714 1.00 0.00 H new ATOM 947 N VAL A 61 -0.573 21.372 -3.576 1.00 0.00 N ATOM 948 CA VAL A 61 -0.371 20.342 -2.570 1.00 0.00 C ATOM 949 C VAL A 61 0.747 19.403 -3.026 1.00 0.00 C ATOM 950 O VAL A 61 0.531 18.201 -3.175 1.00 0.00 O ATOM 951 CB VAL A 61 -1.688 19.615 -2.294 1.00 0.00 C ATOM 952 CG1 VAL A 61 -1.457 18.369 -1.436 1.00 0.00 C ATOM 953 CG2 VAL A 61 -2.705 20.551 -1.639 1.00 0.00 C ATOM 0 H VAL A 61 -1.124 21.078 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.057 20.786 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.099 19.292 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.409 17.871 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.785 17.688 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.012 18.660 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.632 20.009 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.305 20.919 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.904 21.393 -2.302 1.00 0.00 H new ATOM 963 N SER A 62 1.918 19.986 -3.235 1.00 0.00 N ATOM 964 CA SER A 62 3.071 19.215 -3.671 1.00 0.00 C ATOM 965 C SER A 62 3.232 17.973 -2.793 1.00 0.00 C ATOM 966 O SER A 62 2.525 17.815 -1.798 1.00 0.00 O ATOM 967 CB SER A 62 4.345 20.061 -3.633 1.00 0.00 C ATOM 968 OG SER A 62 4.153 21.285 -2.929 1.00 0.00 O ATOM 0 H SER A 62 2.094 20.983 -3.111 1.00 0.00 H new ATOM 0 HA SER A 62 2.905 18.904 -4.702 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.144 19.492 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.668 20.276 -4.652 1.00 0.00 H new ATOM 0 HG SER A 62 4.990 21.795 -2.926 1.00 0.00 H new ATOM 974 N PHE A 63 4.166 17.122 -3.192 1.00 0.00 N ATOM 975 CA PHE A 63 4.429 15.899 -2.454 1.00 0.00 C ATOM 976 C PHE A 63 4.807 16.204 -1.003 1.00 0.00 C ATOM 977 O PHE A 63 4.749 15.325 -0.145 1.00 0.00 O ATOM 978 CB PHE A 63 5.608 15.206 -3.141 1.00 0.00 C ATOM 979 CG PHE A 63 5.813 13.753 -2.710 1.00 0.00 C ATOM 980 CD1 PHE A 63 4.772 12.879 -2.747 1.00 0.00 C ATOM 981 CD2 PHE A 63 7.037 13.335 -2.289 1.00 0.00 C ATOM 982 CE1 PHE A 63 4.963 11.530 -2.347 1.00 0.00 C ATOM 983 CE2 PHE A 63 7.228 11.986 -1.889 1.00 0.00 C ATOM 984 CZ PHE A 63 6.187 11.112 -1.926 1.00 0.00 C ATOM 0 H PHE A 63 4.750 17.256 -4.017 1.00 0.00 H new ATOM 0 HA PHE A 63 3.538 15.272 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.455 15.236 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.518 15.768 -2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.800 13.211 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.864 14.029 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.136 10.836 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.200 11.654 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.332 10.086 -1.621 1.00 0.00 H new ATOM 994 N GLU A 64 5.187 17.453 -0.775 1.00 0.00 N ATOM 995 CA GLU A 64 5.575 17.885 0.557 1.00 0.00 C ATOM 996 C GLU A 64 4.358 17.900 1.486 1.00 0.00 C ATOM 997 O GLU A 64 4.378 17.284 2.550 1.00 0.00 O ATOM 998 CB GLU A 64 6.248 19.258 0.514 1.00 0.00 C ATOM 999 CG GLU A 64 6.941 19.486 -0.831 1.00 0.00 C ATOM 1000 CD GLU A 64 7.619 18.206 -1.323 1.00 0.00 C ATOM 1001 OE1 GLU A 64 8.072 17.433 -0.452 1.00 0.00 O ATOM 1002 OE2 GLU A 64 7.668 18.029 -2.560 1.00 0.00 O ATOM 0 H GLU A 64 5.234 18.179 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 64 6.300 17.173 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.504 20.037 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.977 19.335 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.211 19.821 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.682 20.279 -0.732 1.00 0.00 H new ATOM 1009 N GLU A 65 3.329 18.610 1.048 1.00 0.00 N ATOM 1010 CA GLU A 65 2.106 18.713 1.827 1.00 0.00 C ATOM 1011 C GLU A 65 1.382 17.365 1.859 1.00 0.00 C ATOM 1012 O GLU A 65 0.591 17.103 2.764 1.00 0.00 O ATOM 1013 CB GLU A 65 1.196 19.812 1.275 1.00 0.00 C ATOM 1014 CG GLU A 65 1.781 21.198 1.549 1.00 0.00 C ATOM 1015 CD GLU A 65 0.799 22.298 1.143 1.00 0.00 C ATOM 1016 OE1 GLU A 65 0.131 22.108 0.104 1.00 0.00 O ATOM 1017 OE2 GLU A 65 0.737 23.305 1.882 1.00 0.00 O ATOM 0 H GLU A 65 3.316 19.119 0.164 1.00 0.00 H new ATOM 0 HA GLU A 65 2.370 18.985 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.064 19.675 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.209 19.734 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.021 21.292 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.714 21.318 0.999 1.00 0.00 H new ATOM 1024 N PHE A 66 1.679 16.546 0.861 1.00 0.00 N ATOM 1025 CA PHE A 66 1.066 15.233 0.763 1.00 0.00 C ATOM 1026 C PHE A 66 1.498 14.339 1.927 1.00 0.00 C ATOM 1027 O PHE A 66 0.703 13.551 2.438 1.00 0.00 O ATOM 1028 CB PHE A 66 1.548 14.610 -0.548 1.00 0.00 C ATOM 1029 CG PHE A 66 1.178 13.134 -0.710 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.127 12.769 -0.825 1.00 0.00 C ATOM 1031 CD2 PHE A 66 2.154 12.188 -0.739 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -0.470 11.400 -0.975 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.811 10.818 -0.889 1.00 0.00 C ATOM 1034 CZ PHE A 66 0.506 10.453 -1.004 1.00 0.00 C ATOM 0 H PHE A 66 2.336 16.767 0.113 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.020 15.326 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.128 15.173 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.632 14.711 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.902 13.521 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.190 12.478 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.506 11.110 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.586 10.066 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.245 9.411 -1.118 1.00 0.00 H new ATOM 1044 N GLN A 67 2.756 14.490 2.313 1.00 0.00 N ATOM 1045 CA GLN A 67 3.303 13.707 3.408 1.00 0.00 C ATOM 1046 C GLN A 67 2.525 13.980 4.697 1.00 0.00 C ATOM 1047 O GLN A 67 2.647 13.236 5.669 1.00 0.00 O ATOM 1048 CB GLN A 67 4.794 13.993 3.596 1.00 0.00 C ATOM 1049 CG GLN A 67 5.578 13.681 2.319 1.00 0.00 C ATOM 1050 CD GLN A 67 6.867 12.922 2.639 1.00 0.00 C ATOM 1051 OE1 GLN A 67 7.243 12.741 3.785 1.00 0.00 O ATOM 1052 NE2 GLN A 67 7.521 12.490 1.564 1.00 0.00 N ATOM 0 H GLN A 67 3.413 15.144 1.887 1.00 0.00 H new ATOM 0 HA GLN A 67 3.198 12.651 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.936 15.039 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 67 5.182 13.394 4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.960 13.088 1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.817 14.609 1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.150 12.676 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.393 11.973 1.672 1.00 0.00 H new ATOM 1061 N VAL A 68 1.744 15.050 4.663 1.00 0.00 N ATOM 1062 CA VAL A 68 0.947 15.430 5.817 1.00 0.00 C ATOM 1063 C VAL A 68 -0.277 14.517 5.910 1.00 0.00 C ATOM 1064 O VAL A 68 -0.700 14.150 7.005 1.00 0.00 O ATOM 1065 CB VAL A 68 0.581 16.914 5.733 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -0.230 17.348 6.956 1.00 0.00 C ATOM 1067 CG2 VAL A 68 1.831 17.779 5.569 1.00 0.00 C ATOM 0 H VAL A 68 1.646 15.665 3.855 1.00 0.00 H new ATOM 0 HA VAL A 68 1.519 15.300 6.736 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.042 17.056 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.477 18.406 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.149 16.764 7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.358 17.183 7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.542 18.829 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.491 17.630 6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.352 17.496 4.654 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.810 14.175 4.746 1.00 0.00 N ATOM 1078 CA LEU A 69 -1.977 13.311 4.683 1.00 0.00 C ATOM 1079 C LEU A 69 -1.558 11.873 4.995 1.00 0.00 C ATOM 1080 O LEU A 69 -2.344 11.099 5.539 1.00 0.00 O ATOM 1081 CB LEU A 69 -2.686 13.467 3.336 1.00 0.00 C ATOM 1082 CG LEU A 69 -4.176 13.122 3.319 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -4.899 13.752 4.511 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -4.816 13.518 1.987 1.00 0.00 C ATOM 0 H LEU A 69 -0.456 14.480 3.840 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.708 13.601 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.568 14.498 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.179 12.836 2.606 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.276 12.041 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.957 13.491 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.465 13.379 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.791 14.836 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.875 13.262 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.705 14.592 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.325 12.983 1.174 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.322 11.559 4.636 1.00 0.00 N ATOM 1097 CA VAL A 70 0.210 10.227 4.871 1.00 0.00 C ATOM 1098 C VAL A 70 0.073 9.883 6.355 1.00 0.00 C ATOM 1099 O VAL A 70 0.082 8.711 6.728 1.00 0.00 O ATOM 1100 CB VAL A 70 1.652 10.144 4.368 1.00 0.00 C ATOM 1101 CG1 VAL A 70 2.440 9.082 5.137 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.694 9.875 2.863 1.00 0.00 C ATOM 0 H VAL A 70 0.326 12.204 4.184 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.358 9.484 4.312 1.00 0.00 H new ATOM 0 HB VAL A 70 2.125 11.109 4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.462 9.043 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.454 9.336 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.967 8.109 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.731 9.821 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.195 8.930 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.186 10.682 2.335 1.00 0.00 H new ATOM 1112 N LYS A 71 -0.050 10.926 7.163 1.00 0.00 N ATOM 1113 CA LYS A 71 -0.188 10.748 8.599 1.00 0.00 C ATOM 1114 C LYS A 71 -1.550 10.120 8.902 1.00 0.00 C ATOM 1115 O LYS A 71 -1.641 9.170 9.678 1.00 0.00 O ATOM 1116 CB LYS A 71 0.055 12.071 9.328 1.00 0.00 C ATOM 1117 CG LYS A 71 0.973 11.871 10.535 1.00 0.00 C ATOM 1118 CD LYS A 71 0.532 12.745 11.711 1.00 0.00 C ATOM 1119 CE LYS A 71 1.387 12.470 12.950 1.00 0.00 C ATOM 1120 NZ LYS A 71 2.606 13.309 12.934 1.00 0.00 N ATOM 0 H LYS A 71 -0.057 11.897 6.851 1.00 0.00 H new ATOM 0 HA LYS A 71 0.571 10.060 8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.501 12.791 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.896 12.490 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.964 10.823 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.999 12.116 10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.611 13.797 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.517 12.553 11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.809 12.675 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.664 11.416 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.175 13.110 13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.164 13.094 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.336 14.313 12.926 1.00 0.00 H new ATOM 1134 N LYS A 72 -2.576 10.676 8.273 1.00 0.00 N ATOM 1135 CA LYS A 72 -3.929 10.183 8.466 1.00 0.00 C ATOM 1136 C LYS A 72 -4.060 8.803 7.819 1.00 0.00 C ATOM 1137 O LYS A 72 -4.679 7.904 8.385 1.00 0.00 O ATOM 1138 CB LYS A 72 -4.949 11.202 7.955 1.00 0.00 C ATOM 1139 CG LYS A 72 -4.858 12.510 8.742 1.00 0.00 C ATOM 1140 CD LYS A 72 -3.766 13.418 8.174 1.00 0.00 C ATOM 1141 CE LYS A 72 -4.247 14.867 8.086 1.00 0.00 C ATOM 1142 NZ LYS A 72 -3.751 15.650 9.240 1.00 0.00 N ATOM 0 H LYS A 72 -2.497 11.463 7.629 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.142 10.060 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.775 11.397 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.955 10.790 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.818 13.026 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.648 12.294 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.879 13.364 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.475 13.067 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.897 15.317 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.336 14.894 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.087 16.631 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.106 15.230 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.711 15.640 9.245 1.00 0.00 H new ATOM 1156 N ILE A 73 -3.468 8.678 6.640 1.00 0.00 N ATOM 1157 CA ILE A 73 -3.511 7.423 5.909 1.00 0.00 C ATOM 1158 C ILE A 73 -2.562 6.421 6.570 1.00 0.00 C ATOM 1159 O ILE A 73 -2.577 5.236 6.239 1.00 0.00 O ATOM 1160 CB ILE A 73 -3.223 7.657 4.425 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -4.162 8.716 3.844 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -3.284 6.344 3.641 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -3.443 9.575 2.802 1.00 0.00 C ATOM 0 H ILE A 73 -2.956 9.426 6.173 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.511 6.991 5.951 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.207 8.041 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.025 8.231 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.540 9.351 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.076 6.538 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.542 5.650 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.278 5.907 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.133 10.319 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.595 10.078 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.088 8.941 1.990 1.00 0.00 H new ATOM 1175 N SER A 74 -1.759 6.933 7.490 1.00 0.00 N ATOM 1176 CA SER A 74 -0.805 6.097 8.200 1.00 0.00 C ATOM 1177 C SER A 74 -1.448 5.528 9.466 1.00 0.00 C ATOM 1178 O SER A 74 -1.230 4.368 9.810 1.00 0.00 O ATOM 1179 CB SER A 74 0.459 6.883 8.553 1.00 0.00 C ATOM 1180 OG SER A 74 1.414 6.863 7.495 1.00 0.00 O ATOM 0 H SER A 74 -1.749 7.916 7.761 1.00 0.00 H new ATOM 0 HA SER A 74 -0.518 5.274 7.546 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.192 7.915 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.907 6.463 9.454 1.00 0.00 H new ATOM 0 HG SER A 74 1.187 7.552 6.836 1.00 0.00 H new ATOM 1186 N GLN A 75 -2.228 6.372 10.126 1.00 0.00 N ATOM 1187 CA GLN A 75 -2.904 5.968 11.347 1.00 0.00 C ATOM 1188 C GLN A 75 -4.015 4.964 11.031 1.00 0.00 C ATOM 1189 O GLN A 75 -3.842 3.761 11.222 1.00 0.00 O ATOM 1190 CB GLN A 75 -3.460 7.182 12.094 1.00 0.00 C ATOM 1191 CG GLN A 75 -2.959 7.213 13.539 1.00 0.00 C ATOM 1192 CD GLN A 75 -1.665 8.021 13.654 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -0.634 7.533 14.087 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -1.777 9.282 13.244 1.00 0.00 N ATOM 0 H GLN A 75 -2.407 7.334 9.838 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.176 5.484 11.998 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.161 8.097 11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.550 7.152 12.084 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.723 7.649 14.183 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.789 6.195 13.890 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.670 9.626 12.892 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.969 9.904 13.281 1.00 0.00 H new