USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 536 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= -0.285 X(o=-0.28,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.91! K(o=-1.9!,f=-1.4) USER MOD Single : A 24 SER OG : rot -170:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.00831 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= -0.669 USER MOD Single : A 62 SER OG : rot 102:sc= -0.204 USER MOD Single : A 67 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0591) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.913 X(o=-0.91,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 5 11.305 -9.622 -1.288 1.00 0.00 N ATOM 64 CA GLU A 5 11.539 -8.637 -0.245 1.00 0.00 C ATOM 65 C GLU A 5 10.365 -7.660 -0.164 1.00 0.00 C ATOM 66 O GLU A 5 9.773 -7.482 0.899 1.00 0.00 O ATOM 67 CB GLU A 5 12.856 -7.893 -0.480 1.00 0.00 C ATOM 68 CG GLU A 5 13.985 -8.500 0.357 1.00 0.00 C ATOM 69 CD GLU A 5 14.773 -7.410 1.087 1.00 0.00 C ATOM 70 OE1 GLU A 5 15.263 -6.499 0.386 1.00 0.00 O ATOM 71 OE2 GLU A 5 14.867 -7.514 2.329 1.00 0.00 O ATOM 0 HA GLU A 5 11.619 -9.158 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.119 -7.936 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.734 -6.840 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.569 -9.200 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.655 -9.069 -0.288 1.00 0.00 H new ATOM 78 N LEU A 6 10.062 -7.052 -1.302 1.00 0.00 N ATOM 79 CA LEU A 6 8.969 -6.098 -1.373 1.00 0.00 C ATOM 80 C LEU A 6 7.713 -6.721 -0.761 1.00 0.00 C ATOM 81 O LEU A 6 7.100 -6.140 0.133 1.00 0.00 O ATOM 82 CB LEU A 6 8.776 -5.610 -2.810 1.00 0.00 C ATOM 83 CG LEU A 6 9.557 -4.354 -3.203 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.416 -4.066 -4.699 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.137 -3.157 -2.347 1.00 0.00 C ATOM 0 H LEU A 6 10.555 -7.202 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 6 9.201 -5.208 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.058 -6.416 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.715 -5.418 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 6 10.614 -4.534 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.981 -3.168 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.802 -4.910 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.365 -3.914 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.707 -2.278 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.073 -2.965 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.331 -3.375 -1.297 1.00 0.00 H new ATOM 97 N LYS A 7 7.367 -7.895 -1.268 1.00 0.00 N ATOM 98 CA LYS A 7 6.195 -8.604 -0.783 1.00 0.00 C ATOM 99 C LYS A 7 6.318 -8.809 0.728 1.00 0.00 C ATOM 100 O LYS A 7 5.423 -8.435 1.484 1.00 0.00 O ATOM 101 CB LYS A 7 5.992 -9.903 -1.566 1.00 0.00 C ATOM 102 CG LYS A 7 4.507 -10.153 -1.836 1.00 0.00 C ATOM 103 CD LYS A 7 4.300 -11.474 -2.579 1.00 0.00 C ATOM 104 CE LYS A 7 4.466 -12.667 -1.635 1.00 0.00 C ATOM 105 NZ LYS A 7 4.942 -13.854 -2.378 1.00 0.00 N ATOM 0 H LYS A 7 7.878 -8.373 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 7 5.295 -8.013 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.533 -9.851 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.409 -10.739 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.960 -10.172 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.098 -9.332 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.305 -11.493 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.016 -11.551 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.174 -12.417 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.515 -12.891 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.049 -14.654 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.252 -14.101 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.860 -13.643 -2.819 1.00 0.00 H new ATOM 119 N GLY A 8 7.434 -9.403 1.123 1.00 0.00 N ATOM 120 CA GLY A 8 7.686 -9.663 2.531 1.00 0.00 C ATOM 121 C GLY A 8 7.392 -8.423 3.378 1.00 0.00 C ATOM 122 O GLY A 8 6.660 -8.500 4.364 1.00 0.00 O ATOM 0 H GLY A 8 8.174 -9.712 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.066 -10.494 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.724 -9.964 2.669 1.00 0.00 H new ATOM 126 N ILE A 9 7.978 -7.310 2.964 1.00 0.00 N ATOM 127 CA ILE A 9 7.788 -6.056 3.672 1.00 0.00 C ATOM 128 C ILE A 9 6.291 -5.764 3.792 1.00 0.00 C ATOM 129 O ILE A 9 5.780 -5.565 4.893 1.00 0.00 O ATOM 130 CB ILE A 9 8.581 -4.934 2.998 1.00 0.00 C ATOM 131 CG1 ILE A 9 10.064 -5.014 3.366 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.982 -3.565 3.327 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.881 -3.988 2.577 1.00 0.00 C ATOM 0 H ILE A 9 8.585 -7.250 2.147 1.00 0.00 H new ATOM 0 HA ILE A 9 8.181 -6.128 4.686 1.00 0.00 H new ATOM 0 HB ILE A 9 8.509 -5.066 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.187 -4.838 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.439 -6.017 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.564 -2.785 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.951 -3.525 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.003 -3.408 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.931 -4.066 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.775 -4.182 1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.519 -2.985 2.801 1.00 0.00 H new ATOM 145 N PHE A 10 5.630 -5.749 2.644 1.00 0.00 N ATOM 146 CA PHE A 10 4.202 -5.485 2.606 1.00 0.00 C ATOM 147 C PHE A 10 3.454 -6.373 3.603 1.00 0.00 C ATOM 148 O PHE A 10 2.659 -5.882 4.403 1.00 0.00 O ATOM 149 CB PHE A 10 3.724 -5.812 1.190 1.00 0.00 C ATOM 150 CG PHE A 10 2.231 -6.134 1.096 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.787 -7.390 1.370 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.347 -5.163 0.739 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.402 -7.688 1.283 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.038 -5.462 0.652 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.482 -6.718 0.926 1.00 0.00 C ATOM 0 H PHE A 10 6.057 -5.915 1.733 1.00 0.00 H new ATOM 0 HA PHE A 10 4.008 -4.445 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.944 -4.966 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.293 -6.662 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.488 -8.161 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.699 -4.165 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.050 -8.686 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.740 -4.692 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.536 -6.945 0.860 1.00 0.00 H new ATOM 165 N GLU A 11 3.734 -7.665 3.521 1.00 0.00 N ATOM 166 CA GLU A 11 3.098 -8.627 4.405 1.00 0.00 C ATOM 167 C GLU A 11 3.442 -8.315 5.863 1.00 0.00 C ATOM 168 O GLU A 11 2.553 -8.225 6.708 1.00 0.00 O ATOM 169 CB GLU A 11 3.500 -10.057 4.040 1.00 0.00 C ATOM 170 CG GLU A 11 2.306 -10.838 3.486 1.00 0.00 C ATOM 171 CD GLU A 11 2.316 -12.283 3.989 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.064 -12.465 5.199 1.00 0.00 O ATOM 173 OE2 GLU A 11 2.574 -13.173 3.150 1.00 0.00 O ATOM 0 H GLU A 11 4.393 -8.069 2.855 1.00 0.00 H new ATOM 0 HA GLU A 11 2.018 -8.547 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.300 -10.036 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.894 -10.564 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.378 -10.351 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.334 -10.828 2.396 1.00 0.00 H new ATOM 180 N LYS A 12 4.734 -8.160 6.113 1.00 0.00 N ATOM 181 CA LYS A 12 5.206 -7.861 7.454 1.00 0.00 C ATOM 182 C LYS A 12 4.305 -6.795 8.081 1.00 0.00 C ATOM 183 O LYS A 12 4.163 -6.738 9.302 1.00 0.00 O ATOM 184 CB LYS A 12 6.687 -7.477 7.427 1.00 0.00 C ATOM 185 CG LYS A 12 7.308 -7.591 8.821 1.00 0.00 C ATOM 186 CD LYS A 12 7.254 -6.251 9.557 1.00 0.00 C ATOM 187 CE LYS A 12 8.217 -6.239 10.746 1.00 0.00 C ATOM 188 NZ LYS A 12 9.128 -5.076 10.663 1.00 0.00 N ATOM 0 H LYS A 12 5.469 -8.236 5.409 1.00 0.00 H new ATOM 0 HA LYS A 12 5.141 -8.746 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.222 -8.125 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.795 -6.457 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.778 -8.349 9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.343 -7.922 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.509 -5.444 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.238 -6.064 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.653 -6.201 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.797 -7.162 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.775 -5.083 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.679 -5.129 9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.571 -4.198 10.671 1.00 0.00 H new ATOM 202 N TYR A 13 3.721 -5.977 7.218 1.00 0.00 N ATOM 203 CA TYR A 13 2.838 -4.917 7.672 1.00 0.00 C ATOM 204 C TYR A 13 1.375 -5.362 7.623 1.00 0.00 C ATOM 205 O TYR A 13 0.634 -5.181 8.588 1.00 0.00 O ATOM 206 CB TYR A 13 3.038 -3.755 6.697 1.00 0.00 C ATOM 207 CG TYR A 13 4.295 -2.925 6.967 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.526 -3.544 7.049 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.197 -1.558 7.130 1.00 0.00 C ATOM 210 CE1 TYR A 13 6.709 -2.763 7.303 1.00 0.00 C ATOM 211 CE2 TYR A 13 5.380 -0.777 7.384 1.00 0.00 C ATOM 212 CZ TYR A 13 6.577 -1.418 7.458 1.00 0.00 C ATOM 213 OH TYR A 13 7.695 -0.681 7.698 1.00 0.00 O ATOM 0 H TYR A 13 3.842 -6.027 6.206 1.00 0.00 H new ATOM 0 HA TYR A 13 3.066 -4.643 8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.087 -4.150 5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.167 -3.102 6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.602 -4.614 6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.233 -1.074 7.067 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.679 -3.234 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.318 0.293 7.513 1.00 0.00 H new ATOM 0 HH TYR A 13 7.451 0.264 7.786 1.00 0.00 H new ATOM 223 N ALA A 14 1.003 -5.937 6.488 1.00 0.00 N ATOM 224 CA ALA A 14 -0.358 -6.409 6.300 1.00 0.00 C ATOM 225 C ALA A 14 -0.727 -7.358 7.443 1.00 0.00 C ATOM 226 O ALA A 14 -1.898 -7.485 7.796 1.00 0.00 O ATOM 227 CB ALA A 14 -0.483 -7.074 4.928 1.00 0.00 C ATOM 0 H ALA A 14 1.621 -6.086 5.690 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.060 -5.575 6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.504 -7.428 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.239 -6.351 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.205 -7.917 4.868 1.00 0.00 H new ATOM 233 N ALA A 15 0.295 -7.999 7.990 1.00 0.00 N ATOM 234 CA ALA A 15 0.094 -8.932 9.086 1.00 0.00 C ATOM 235 C ALA A 15 -0.160 -8.150 10.376 1.00 0.00 C ATOM 236 O ALA A 15 -0.952 -8.573 11.217 1.00 0.00 O ATOM 237 CB ALA A 15 1.305 -9.860 9.195 1.00 0.00 C ATOM 0 H ALA A 15 1.265 -7.891 7.695 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.780 -9.557 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.154 -10.560 10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.424 -10.414 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.201 -9.268 9.382 1.00 0.00 H new ATOM 243 N LYS A 16 0.527 -7.023 10.492 1.00 0.00 N ATOM 244 CA LYS A 16 0.386 -6.178 11.665 1.00 0.00 C ATOM 245 C LYS A 16 -1.091 -5.836 11.867 1.00 0.00 C ATOM 246 O LYS A 16 -1.684 -6.202 12.881 1.00 0.00 O ATOM 247 CB LYS A 16 1.292 -4.950 11.553 1.00 0.00 C ATOM 248 CG LYS A 16 2.525 -5.095 12.448 1.00 0.00 C ATOM 249 CD LYS A 16 3.439 -3.874 12.323 1.00 0.00 C ATOM 250 CE LYS A 16 4.057 -3.512 13.675 1.00 0.00 C ATOM 251 NZ LYS A 16 4.842 -2.262 13.568 1.00 0.00 N ATOM 0 H LYS A 16 1.183 -6.676 9.792 1.00 0.00 H new ATOM 0 HA LYS A 16 0.716 -6.708 12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.604 -4.817 10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.736 -4.056 11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.214 -5.216 13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.075 -5.995 12.173 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.229 -4.079 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.870 -3.027 11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.271 -3.392 14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.699 -4.324 14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.254 -2.031 14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.604 -2.389 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.220 -1.486 13.263 1.00 0.00 H new ATOM 265 N GLU A 17 -1.643 -5.137 10.886 1.00 0.00 N ATOM 266 CA GLU A 17 -3.040 -4.741 10.943 1.00 0.00 C ATOM 267 C GLU A 17 -3.868 -5.573 9.963 1.00 0.00 C ATOM 268 O GLU A 17 -3.521 -5.682 8.787 1.00 0.00 O ATOM 269 CB GLU A 17 -3.198 -3.245 10.663 1.00 0.00 C ATOM 270 CG GLU A 17 -2.431 -2.411 11.690 1.00 0.00 C ATOM 271 CD GLU A 17 -3.303 -1.281 12.240 1.00 0.00 C ATOM 272 OE1 GLU A 17 -3.650 -0.389 11.436 1.00 0.00 O ATOM 273 OE2 GLU A 17 -3.604 -1.335 13.452 1.00 0.00 O ATOM 0 H GLU A 17 -1.148 -4.835 10.047 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.410 -4.929 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.834 -3.019 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.254 -2.976 10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.099 -3.050 12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.536 -1.993 11.229 1.00 0.00 H new ATOM 280 N GLY A 18 -4.948 -6.140 10.482 1.00 0.00 N ATOM 281 CA GLY A 18 -5.828 -6.959 9.666 1.00 0.00 C ATOM 282 C GLY A 18 -5.049 -8.078 8.972 1.00 0.00 C ATOM 283 O GLY A 18 -3.825 -8.145 9.077 1.00 0.00 O ATOM 0 H GLY A 18 -5.233 -6.048 11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.612 -7.389 10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.321 -6.337 8.919 1.00 0.00 H new ATOM 287 N ASP A 19 -5.790 -8.929 8.277 1.00 0.00 N ATOM 288 CA ASP A 19 -5.184 -10.041 7.565 1.00 0.00 C ATOM 289 C ASP A 19 -3.956 -9.543 6.800 1.00 0.00 C ATOM 290 O ASP A 19 -3.836 -8.351 6.520 1.00 0.00 O ATOM 291 CB ASP A 19 -6.160 -10.644 6.553 1.00 0.00 C ATOM 292 CG ASP A 19 -6.324 -12.163 6.638 1.00 0.00 C ATOM 293 OD1 ASP A 19 -5.887 -12.724 7.666 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.883 -12.729 5.674 1.00 0.00 O ATOM 0 H ASP A 19 -6.805 -8.870 8.192 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.909 -10.800 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.136 -10.180 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.824 -10.386 5.549 1.00 0.00 H new ATOM 299 N PRO A 20 -3.052 -10.506 6.475 1.00 0.00 N ATOM 300 CA PRO A 20 -1.838 -10.177 5.748 1.00 0.00 C ATOM 301 C PRO A 20 -2.138 -9.911 4.271 1.00 0.00 C ATOM 302 O PRO A 20 -1.235 -9.599 3.497 1.00 0.00 O ATOM 303 CB PRO A 20 -0.917 -11.367 5.962 1.00 0.00 C ATOM 304 CG PRO A 20 -1.812 -12.512 6.407 1.00 0.00 C ATOM 305 CD PRO A 20 -3.162 -11.927 6.790 1.00 0.00 C ATOM 0 HA PRO A 20 -1.370 -9.259 6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.386 -11.620 5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.162 -11.146 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.926 -13.241 5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.369 -13.036 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.970 -12.396 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.376 -12.083 7.847 1.00 0.00 H new ATOM 313 N ASN A 21 -3.410 -10.045 3.926 1.00 0.00 N ATOM 314 CA ASN A 21 -3.841 -9.823 2.556 1.00 0.00 C ATOM 315 C ASN A 21 -4.486 -8.440 2.446 1.00 0.00 C ATOM 316 O ASN A 21 -4.739 -7.955 1.344 1.00 0.00 O ATOM 317 CB ASN A 21 -4.878 -10.864 2.129 1.00 0.00 C ATOM 318 CG ASN A 21 -4.204 -12.179 1.731 1.00 0.00 C ATOM 319 OD1 ASN A 21 -4.222 -12.593 0.583 1.00 0.00 O ATOM 320 ND2 ASN A 21 -3.609 -12.809 2.739 1.00 0.00 N ATOM 0 H ASN A 21 -4.156 -10.304 4.571 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.966 -9.900 1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.577 -11.042 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.459 -10.481 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.130 -13.694 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.632 -12.407 3.676 1.00 0.00 H new ATOM 327 N GLN A 22 -4.734 -7.845 3.603 1.00 0.00 N ATOM 328 CA GLN A 22 -5.345 -6.527 3.651 1.00 0.00 C ATOM 329 C GLN A 22 -4.388 -5.521 4.294 1.00 0.00 C ATOM 330 O GLN A 22 -3.633 -5.870 5.201 1.00 0.00 O ATOM 331 CB GLN A 22 -6.680 -6.568 4.397 1.00 0.00 C ATOM 332 CG GLN A 22 -6.493 -7.082 5.826 1.00 0.00 C ATOM 333 CD GLN A 22 -7.844 -7.292 6.513 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.279 -6.505 7.338 1.00 0.00 O ATOM 335 NE2 GLN A 22 -8.480 -8.395 6.129 1.00 0.00 N ATOM 0 H GLN A 22 -4.523 -8.251 4.515 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.547 -6.205 2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.119 -5.571 4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.379 -7.212 3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.939 -8.021 5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.897 -6.371 6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.059 -9.011 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.389 -8.625 6.530 1.00 0.00 H new ATOM 344 N LEU A 23 -4.450 -4.294 3.799 1.00 0.00 N ATOM 345 CA LEU A 23 -3.599 -3.235 4.315 1.00 0.00 C ATOM 346 C LEU A 23 -4.463 -2.190 5.023 1.00 0.00 C ATOM 347 O LEU A 23 -5.690 -2.279 5.005 1.00 0.00 O ATOM 348 CB LEU A 23 -2.727 -2.658 3.198 1.00 0.00 C ATOM 349 CG LEU A 23 -1.447 -3.433 2.877 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.229 -2.775 3.528 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.584 -4.905 3.273 1.00 0.00 C ATOM 0 H LEU A 23 -5.076 -4.009 3.046 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.906 -3.631 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.328 -2.596 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.452 -1.638 3.469 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.291 -3.403 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.667 -3.346 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.123 -1.756 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.362 -2.753 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.661 -5.433 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.777 -4.977 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.411 -5.354 2.724 1.00 0.00 H new ATOM 363 N SER A 24 -3.790 -1.224 5.629 1.00 0.00 N ATOM 364 CA SER A 24 -4.481 -0.163 6.342 1.00 0.00 C ATOM 365 C SER A 24 -3.816 1.183 6.049 1.00 0.00 C ATOM 366 O SER A 24 -2.626 1.239 5.745 1.00 0.00 O ATOM 367 CB SER A 24 -4.497 -0.431 7.848 1.00 0.00 C ATOM 368 OG SER A 24 -5.077 -1.695 8.160 1.00 0.00 O ATOM 0 H SER A 24 -2.773 -1.153 5.641 1.00 0.00 H new ATOM 0 HA SER A 24 -5.514 -0.134 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.478 -0.395 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.056 0.358 8.351 1.00 0.00 H new ATOM 0 HG SER A 24 -5.214 -1.762 9.128 1.00 0.00 H new ATOM 374 N LYS A 25 -4.614 2.236 6.152 1.00 0.00 N ATOM 375 CA LYS A 25 -4.118 3.579 5.902 1.00 0.00 C ATOM 376 C LYS A 25 -2.828 3.796 6.694 1.00 0.00 C ATOM 377 O LYS A 25 -1.777 4.068 6.114 1.00 0.00 O ATOM 378 CB LYS A 25 -5.204 4.615 6.198 1.00 0.00 C ATOM 379 CG LYS A 25 -4.788 6.002 5.705 1.00 0.00 C ATOM 380 CD LYS A 25 -5.094 7.072 6.755 1.00 0.00 C ATOM 381 CE LYS A 25 -4.916 8.476 6.175 1.00 0.00 C ATOM 382 NZ LYS A 25 -5.868 9.421 6.801 1.00 0.00 N ATOM 0 H LYS A 25 -5.601 2.186 6.405 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.870 3.704 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.136 4.318 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.397 4.649 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.722 6.006 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.313 6.235 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.115 6.951 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.435 6.943 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.894 8.817 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.074 8.453 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.733 10.369 6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.842 9.103 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.699 9.456 7.827 1.00 0.00 H new ATOM 396 N GLU A 26 -2.949 3.669 8.007 1.00 0.00 N ATOM 397 CA GLU A 26 -1.805 3.849 8.885 1.00 0.00 C ATOM 398 C GLU A 26 -0.663 2.920 8.466 1.00 0.00 C ATOM 399 O GLU A 26 0.490 3.343 8.391 1.00 0.00 O ATOM 400 CB GLU A 26 -2.193 3.615 10.346 1.00 0.00 C ATOM 401 CG GLU A 26 -1.895 4.851 11.197 1.00 0.00 C ATOM 402 CD GLU A 26 -0.662 4.628 12.075 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.332 4.097 11.534 1.00 0.00 O ATOM 404 OE2 GLU A 26 -0.741 4.993 13.268 1.00 0.00 O ATOM 0 H GLU A 26 -3.822 3.444 8.484 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.461 4.879 8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.254 3.372 10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.646 2.758 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.734 5.713 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.756 5.081 11.825 1.00 0.00 H new ATOM 411 N GLU A 27 -1.024 1.673 8.204 1.00 0.00 N ATOM 412 CA GLU A 27 -0.044 0.681 7.795 1.00 0.00 C ATOM 413 C GLU A 27 0.643 1.117 6.498 1.00 0.00 C ATOM 414 O GLU A 27 1.843 1.384 6.487 1.00 0.00 O ATOM 415 CB GLU A 27 -0.691 -0.696 7.636 1.00 0.00 C ATOM 416 CG GLU A 27 -0.942 -1.344 8.999 1.00 0.00 C ATOM 417 CD GLU A 27 -0.540 -2.821 8.987 1.00 0.00 C ATOM 418 OE1 GLU A 27 -1.038 -3.537 8.091 1.00 0.00 O ATOM 419 OE2 GLU A 27 0.255 -3.199 9.873 1.00 0.00 O ATOM 0 H GLU A 27 -1.981 1.327 8.267 1.00 0.00 H new ATOM 0 HA GLU A 27 0.712 0.603 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.633 -0.599 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.045 -1.338 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.376 -0.816 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.996 -1.253 9.260 1.00 0.00 H new ATOM 426 N LEU A 28 -0.149 1.176 5.438 1.00 0.00 N ATOM 427 CA LEU A 28 0.367 1.574 4.139 1.00 0.00 C ATOM 428 C LEU A 28 1.238 2.821 4.303 1.00 0.00 C ATOM 429 O LEU A 28 2.358 2.872 3.797 1.00 0.00 O ATOM 430 CB LEU A 28 -0.777 1.750 3.139 1.00 0.00 C ATOM 431 CG LEU A 28 -0.398 1.636 1.661 1.00 0.00 C ATOM 432 CD1 LEU A 28 0.880 0.813 1.484 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.560 1.073 0.839 1.00 0.00 C ATOM 0 H LEU A 28 -1.145 0.955 5.452 1.00 0.00 H new ATOM 0 HA LEU A 28 1.003 0.792 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.541 1.004 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.230 2.728 3.303 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.191 2.637 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.127 0.748 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.699 1.294 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.725 -0.189 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.264 1.002 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.822 0.082 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.423 1.733 0.929 1.00 0.00 H new ATOM 445 N LYS A 29 0.691 3.798 5.012 1.00 0.00 N ATOM 446 CA LYS A 29 1.404 5.042 5.249 1.00 0.00 C ATOM 447 C LYS A 29 2.876 4.735 5.531 1.00 0.00 C ATOM 448 O LYS A 29 3.762 5.237 4.840 1.00 0.00 O ATOM 449 CB LYS A 29 0.721 5.849 6.355 1.00 0.00 C ATOM 450 CG LYS A 29 1.368 7.227 6.507 1.00 0.00 C ATOM 451 CD LYS A 29 0.326 8.284 6.876 1.00 0.00 C ATOM 452 CE LYS A 29 0.988 9.636 7.148 1.00 0.00 C ATOM 453 NZ LYS A 29 1.416 10.268 5.879 1.00 0.00 N ATOM 0 H LYS A 29 -0.238 3.753 5.430 1.00 0.00 H new ATOM 0 HA LYS A 29 1.374 5.673 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.338 5.964 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.785 5.307 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.139 7.188 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.860 7.506 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.397 8.385 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.227 7.962 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.290 10.291 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.849 9.501 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.863 11.185 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.098 9.649 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.588 10.415 5.267 1.00 0.00 H new ATOM 467 N LEU A 30 3.092 3.912 6.547 1.00 0.00 N ATOM 468 CA LEU A 30 4.441 3.532 6.928 1.00 0.00 C ATOM 469 C LEU A 30 5.172 2.968 5.709 1.00 0.00 C ATOM 470 O LEU A 30 6.231 3.465 5.330 1.00 0.00 O ATOM 471 CB LEU A 30 4.411 2.577 8.124 1.00 0.00 C ATOM 472 CG LEU A 30 3.750 3.114 9.395 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.116 2.256 10.607 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.095 4.589 9.611 1.00 0.00 C ATOM 0 H LEU A 30 2.355 3.498 7.118 1.00 0.00 H new ATOM 0 HA LEU A 30 5.003 4.405 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.891 1.667 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.436 2.294 8.363 1.00 0.00 H new ATOM 0 HG LEU A 30 2.669 3.051 9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.633 2.659 11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.779 1.232 10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.197 2.264 10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.613 4.946 10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.175 4.700 9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.743 5.173 8.761 1.00 0.00 H new ATOM 486 N LEU A 31 4.577 1.937 5.127 1.00 0.00 N ATOM 487 CA LEU A 31 5.158 1.299 3.957 1.00 0.00 C ATOM 488 C LEU A 31 5.541 2.371 2.935 1.00 0.00 C ATOM 489 O LEU A 31 6.721 2.564 2.645 1.00 0.00 O ATOM 490 CB LEU A 31 4.213 0.232 3.404 1.00 0.00 C ATOM 491 CG LEU A 31 4.875 -0.928 2.656 1.00 0.00 C ATOM 492 CD1 LEU A 31 4.880 -2.198 3.509 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.211 -1.153 1.296 1.00 0.00 C ATOM 0 H LEU A 31 3.698 1.527 5.444 1.00 0.00 H new ATOM 0 HA LEU A 31 6.074 0.772 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.636 -0.178 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.505 0.716 2.731 1.00 0.00 H new ATOM 0 HG LEU A 31 5.915 -0.664 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.356 -3.007 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.433 -2.015 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.855 -2.478 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.700 -1.982 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.156 -1.387 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.303 -0.250 0.692 1.00 0.00 H new ATOM 505 N LEU A 32 4.522 3.041 2.417 1.00 0.00 N ATOM 506 CA LEU A 32 4.737 4.089 1.434 1.00 0.00 C ATOM 507 C LEU A 32 5.810 5.051 1.946 1.00 0.00 C ATOM 508 O LEU A 32 6.442 5.756 1.161 1.00 0.00 O ATOM 509 CB LEU A 32 3.414 4.773 1.082 1.00 0.00 C ATOM 510 CG LEU A 32 2.336 3.875 0.472 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.047 4.660 0.219 1.00 0.00 C ATOM 512 CD2 LEU A 32 2.847 3.188 -0.796 1.00 0.00 C ATOM 0 H LEU A 32 3.545 2.878 2.660 1.00 0.00 H new ATOM 0 HA LEU A 32 5.108 3.665 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.011 5.227 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.622 5.584 0.383 1.00 0.00 H new ATOM 0 HG LEU A 32 2.099 3.090 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.297 3.998 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.675 5.062 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.250 5.480 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.061 2.556 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.129 3.943 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.715 2.575 -0.553 1.00 0.00 H new ATOM 524 N GLN A 33 5.982 5.049 3.260 1.00 0.00 N ATOM 525 CA GLN A 33 6.968 5.914 3.886 1.00 0.00 C ATOM 526 C GLN A 33 8.382 5.428 3.562 1.00 0.00 C ATOM 527 O GLN A 33 9.188 6.175 3.009 1.00 0.00 O ATOM 528 CB GLN A 33 6.748 5.991 5.398 1.00 0.00 C ATOM 529 CG GLN A 33 6.839 7.436 5.893 1.00 0.00 C ATOM 530 CD GLN A 33 6.555 7.521 7.394 1.00 0.00 C ATOM 531 OE1 GLN A 33 7.416 7.293 8.228 1.00 0.00 O ATOM 532 NE2 GLN A 33 5.304 7.860 7.690 1.00 0.00 N ATOM 0 H GLN A 33 5.456 4.463 3.908 1.00 0.00 H new ATOM 0 HA GLN A 33 6.849 6.920 3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.771 5.578 5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.492 5.380 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.832 7.834 5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.127 8.056 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.633 8.037 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.015 7.943 8.665 1.00 0.00 H new ATOM 541 N THR A 34 8.641 4.179 3.921 1.00 0.00 N ATOM 542 CA THR A 34 9.944 3.584 3.675 1.00 0.00 C ATOM 543 C THR A 34 9.990 2.956 2.281 1.00 0.00 C ATOM 544 O THR A 34 10.909 3.219 1.508 1.00 0.00 O ATOM 545 CB THR A 34 10.229 2.588 4.801 1.00 0.00 C ATOM 546 OG1 THR A 34 11.133 3.280 5.658 1.00 0.00 O ATOM 547 CG2 THR A 34 11.027 1.374 4.320 1.00 0.00 C ATOM 0 H THR A 34 7.971 3.563 4.380 1.00 0.00 H new ATOM 0 HA THR A 34 10.731 4.338 3.682 1.00 0.00 H new ATOM 0 HB THR A 34 9.287 2.255 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.369 2.706 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.202 0.699 5.157 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.465 0.853 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.983 1.705 3.914 1.00 0.00 H new ATOM 555 N GLU A 35 8.985 2.138 2.003 1.00 0.00 N ATOM 556 CA GLU A 35 8.899 1.470 0.716 1.00 0.00 C ATOM 557 C GLU A 35 9.120 2.472 -0.419 1.00 0.00 C ATOM 558 O GLU A 35 10.105 2.380 -1.150 1.00 0.00 O ATOM 559 CB GLU A 35 7.557 0.752 0.559 1.00 0.00 C ATOM 560 CG GLU A 35 7.395 0.195 -0.857 1.00 0.00 C ATOM 561 CD GLU A 35 7.154 -1.315 -0.827 1.00 0.00 C ATOM 562 OE1 GLU A 35 7.873 -1.990 -0.058 1.00 0.00 O ATOM 563 OE2 GLU A 35 6.257 -1.762 -1.574 1.00 0.00 O ATOM 0 H GLU A 35 8.224 1.923 2.647 1.00 0.00 H new ATOM 0 HA GLU A 35 9.685 0.717 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.488 -0.060 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.743 1.443 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.561 0.690 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.289 0.413 -1.442 1.00 0.00 H new ATOM 570 N PHE A 36 8.188 3.407 -0.529 1.00 0.00 N ATOM 571 CA PHE A 36 8.269 4.426 -1.562 1.00 0.00 C ATOM 572 C PHE A 36 7.692 5.755 -1.068 1.00 0.00 C ATOM 573 O PHE A 36 6.499 6.012 -1.220 1.00 0.00 O ATOM 574 CB PHE A 36 7.436 3.931 -2.746 1.00 0.00 C ATOM 575 CG PHE A 36 8.165 2.929 -3.644 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.344 3.272 -4.228 1.00 0.00 C ATOM 577 CD2 PHE A 36 7.634 1.696 -3.858 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.021 2.343 -5.061 1.00 0.00 C ATOM 579 CE2 PHE A 36 8.310 0.766 -4.692 1.00 0.00 C ATOM 580 CZ PHE A 36 9.489 1.110 -5.276 1.00 0.00 C ATOM 0 H PHE A 36 7.373 3.481 0.080 1.00 0.00 H new ATOM 0 HA PHE A 36 9.310 4.593 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.525 3.468 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.132 4.788 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.766 4.252 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.698 1.423 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.958 2.615 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.888 -0.213 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.003 0.404 -5.911 1.00 0.00 H new ATOM 590 N PRO A 37 8.590 6.585 -0.472 1.00 0.00 N ATOM 591 CA PRO A 37 8.182 7.880 0.045 1.00 0.00 C ATOM 592 C PRO A 37 7.961 8.879 -1.092 1.00 0.00 C ATOM 593 O PRO A 37 7.244 9.865 -0.927 1.00 0.00 O ATOM 594 CB PRO A 37 9.297 8.294 0.991 1.00 0.00 C ATOM 595 CG PRO A 37 10.499 7.442 0.618 1.00 0.00 C ATOM 596 CD PRO A 37 10.011 6.313 -0.275 1.00 0.00 C ATOM 0 HA PRO A 37 7.227 7.842 0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.523 9.355 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.009 8.130 2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.247 8.043 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.976 7.042 1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.547 6.299 -1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.167 5.341 0.194 1.00 0.00 H new ATOM 604 N SER A 38 8.590 8.590 -2.222 1.00 0.00 N ATOM 605 CA SER A 38 8.471 9.452 -3.386 1.00 0.00 C ATOM 606 C SER A 38 7.042 9.402 -3.930 1.00 0.00 C ATOM 607 O SER A 38 6.528 10.403 -4.426 1.00 0.00 O ATOM 608 CB SER A 38 9.467 9.047 -4.475 1.00 0.00 C ATOM 609 OG SER A 38 9.512 7.634 -4.659 1.00 0.00 O ATOM 0 H SER A 38 9.183 7.771 -2.356 1.00 0.00 H new ATOM 0 HA SER A 38 8.702 10.473 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.192 9.526 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.460 9.410 -4.211 1.00 0.00 H new ATOM 0 HG SER A 38 10.158 7.416 -5.363 1.00 0.00 H new ATOM 615 N LEU A 39 6.441 8.227 -3.818 1.00 0.00 N ATOM 616 CA LEU A 39 5.081 8.033 -4.292 1.00 0.00 C ATOM 617 C LEU A 39 4.121 8.842 -3.417 1.00 0.00 C ATOM 618 O LEU A 39 3.006 9.151 -3.835 1.00 0.00 O ATOM 619 CB LEU A 39 4.743 6.543 -4.359 1.00 0.00 C ATOM 620 CG LEU A 39 4.374 6.000 -5.741 1.00 0.00 C ATOM 621 CD1 LEU A 39 4.522 4.478 -5.791 1.00 0.00 C ATOM 622 CD2 LEU A 39 2.970 6.453 -6.150 1.00 0.00 C ATOM 0 H LEU A 39 6.871 7.399 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 39 4.977 8.405 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.598 5.980 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.912 6.348 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 39 5.072 6.415 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.253 4.119 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.555 4.206 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.863 4.024 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.732 6.054 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.244 6.086 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.934 7.542 -6.181 1.00 0.00 H new ATOM 634 N LEU A 40 4.589 9.163 -2.220 1.00 0.00 N ATOM 635 CA LEU A 40 3.786 9.930 -1.283 1.00 0.00 C ATOM 636 C LEU A 40 3.749 11.393 -1.728 1.00 0.00 C ATOM 637 O LEU A 40 2.693 12.024 -1.711 1.00 0.00 O ATOM 638 CB LEU A 40 4.297 9.734 0.146 1.00 0.00 C ATOM 639 CG LEU A 40 4.217 8.310 0.698 1.00 0.00 C ATOM 640 CD1 LEU A 40 4.862 8.221 2.082 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.772 7.805 0.706 1.00 0.00 C ATOM 0 H LEU A 40 5.515 8.906 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 40 2.757 9.571 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.336 10.060 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.731 10.391 0.806 1.00 0.00 H new ATOM 0 HG LEU A 40 4.784 7.655 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.791 7.198 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.911 8.511 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.344 8.891 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.743 6.790 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.162 8.457 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.380 7.808 -0.311 1.00 0.00 H new ATOM 653 N LYS A 41 4.914 11.890 -2.116 1.00 0.00 N ATOM 654 CA LYS A 41 5.029 13.267 -2.566 1.00 0.00 C ATOM 655 C LYS A 41 4.273 13.432 -3.886 1.00 0.00 C ATOM 656 O LYS A 41 3.774 14.515 -4.188 1.00 0.00 O ATOM 657 CB LYS A 41 6.498 13.686 -2.641 1.00 0.00 C ATOM 658 CG LYS A 41 7.199 13.015 -3.824 1.00 0.00 C ATOM 659 CD LYS A 41 8.287 13.922 -4.403 1.00 0.00 C ATOM 660 CE LYS A 41 8.935 13.284 -5.633 1.00 0.00 C ATOM 661 NZ LYS A 41 8.727 14.132 -6.828 1.00 0.00 N ATOM 0 H LYS A 41 5.787 11.363 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 41 4.566 13.943 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.566 14.769 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.004 13.418 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.640 12.072 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.468 12.778 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.856 14.886 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.047 14.114 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.002 13.147 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.510 12.295 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.173 13.684 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.708 14.242 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.154 15.067 -6.669 1.00 0.00 H new ATOM 675 N GLY A 42 4.213 12.343 -4.637 1.00 0.00 N ATOM 676 CA GLY A 42 3.527 12.354 -5.918 1.00 0.00 C ATOM 677 C GLY A 42 2.146 13.001 -5.795 1.00 0.00 C ATOM 678 O GLY A 42 1.715 13.347 -4.696 1.00 0.00 O ATOM 0 H GLY A 42 4.628 11.447 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.124 12.899 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.423 11.334 -6.288 1.00 0.00 H new ATOM 682 N MET A 43 1.491 13.144 -6.937 1.00 0.00 N ATOM 683 CA MET A 43 0.167 13.743 -6.971 1.00 0.00 C ATOM 684 C MET A 43 -0.815 12.951 -6.106 1.00 0.00 C ATOM 685 O MET A 43 -1.815 13.495 -5.640 1.00 0.00 O ATOM 686 CB MET A 43 -0.339 13.782 -8.414 1.00 0.00 C ATOM 687 CG MET A 43 0.215 15.000 -9.157 1.00 0.00 C ATOM 688 SD MET A 43 -0.456 15.064 -10.810 1.00 0.00 S ATOM 689 CE MET A 43 0.931 14.425 -11.733 1.00 0.00 C ATOM 0 H MET A 43 1.852 12.855 -7.846 1.00 0.00 H new ATOM 0 HA MET A 43 0.236 14.756 -6.574 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.042 12.870 -8.932 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.429 13.812 -8.420 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.039 15.912 -8.617 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.303 14.947 -9.199 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.681 14.397 -12.793 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.797 15.070 -11.581 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.164 13.417 -11.389 1.00 0.00 H new ATOM 699 N SER A 44 -0.496 11.679 -5.919 1.00 0.00 N ATOM 700 CA SER A 44 -1.339 10.806 -5.119 1.00 0.00 C ATOM 701 C SER A 44 -0.743 10.643 -3.719 1.00 0.00 C ATOM 702 O SER A 44 0.167 9.839 -3.517 1.00 0.00 O ATOM 703 CB SER A 44 -1.507 9.440 -5.786 1.00 0.00 C ATOM 704 OG SER A 44 -1.827 9.557 -7.170 1.00 0.00 O ATOM 0 H SER A 44 0.334 11.232 -6.307 1.00 0.00 H new ATOM 0 HA SER A 44 -2.325 11.264 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.587 8.866 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.294 8.883 -5.278 1.00 0.00 H new ATOM 0 HG SER A 44 -1.924 8.663 -7.560 1.00 0.00 H new ATOM 710 N THR A 45 -1.279 11.418 -2.788 1.00 0.00 N ATOM 711 CA THR A 45 -0.811 11.370 -1.413 1.00 0.00 C ATOM 712 C THR A 45 -1.373 10.137 -0.702 1.00 0.00 C ATOM 713 O THR A 45 -2.267 9.470 -1.221 1.00 0.00 O ATOM 714 CB THR A 45 -1.194 12.688 -0.737 1.00 0.00 C ATOM 715 OG1 THR A 45 -2.609 12.758 -0.889 1.00 0.00 O ATOM 716 CG2 THR A 45 -0.676 13.909 -1.500 1.00 0.00 C ATOM 0 H THR A 45 -2.033 12.083 -2.959 1.00 0.00 H new ATOM 0 HA THR A 45 0.273 11.268 -1.367 1.00 0.00 H new ATOM 0 HB THR A 45 -0.802 12.702 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.942 13.582 -0.477 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.975 14.818 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.412 13.866 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.095 13.914 -2.506 1.00 0.00 H new ATOM 724 N LEU A 46 -0.825 9.872 0.475 1.00 0.00 N ATOM 725 CA LEU A 46 -1.260 8.731 1.262 1.00 0.00 C ATOM 726 C LEU A 46 -2.789 8.666 1.257 1.00 0.00 C ATOM 727 O LEU A 46 -3.372 7.723 0.725 1.00 0.00 O ATOM 728 CB LEU A 46 -0.652 8.785 2.665 1.00 0.00 C ATOM 729 CG LEU A 46 -0.662 7.472 3.451 1.00 0.00 C ATOM 730 CD1 LEU A 46 -1.951 7.328 4.262 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.430 6.276 2.525 1.00 0.00 C ATOM 0 H LEU A 46 -0.084 10.428 0.902 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.900 7.803 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.380 9.126 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.190 9.536 3.244 1.00 0.00 H new ATOM 0 HG LEU A 46 0.164 7.493 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.932 6.387 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.033 8.157 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.808 7.338 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.442 5.356 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.219 6.239 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.536 6.380 2.032 1.00 0.00 H new ATOM 743 N ASP A 47 -3.394 9.681 1.857 1.00 0.00 N ATOM 744 CA ASP A 47 -4.844 9.751 1.928 1.00 0.00 C ATOM 745 C ASP A 47 -5.432 9.471 0.544 1.00 0.00 C ATOM 746 O ASP A 47 -6.356 8.671 0.408 1.00 0.00 O ATOM 747 CB ASP A 47 -5.307 11.142 2.366 1.00 0.00 C ATOM 748 CG ASP A 47 -6.291 11.157 3.538 1.00 0.00 C ATOM 749 OD1 ASP A 47 -6.988 10.133 3.706 1.00 0.00 O ATOM 750 OD2 ASP A 47 -6.324 12.191 4.238 1.00 0.00 O ATOM 0 H ASP A 47 -2.907 10.461 2.298 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.182 9.013 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.431 11.731 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.772 11.639 1.514 1.00 0.00 H new ATOM 755 N GLU A 48 -4.873 10.147 -0.450 1.00 0.00 N ATOM 756 CA GLU A 48 -5.331 9.981 -1.818 1.00 0.00 C ATOM 757 C GLU A 48 -5.276 8.506 -2.221 1.00 0.00 C ATOM 758 O GLU A 48 -6.224 7.983 -2.806 1.00 0.00 O ATOM 759 CB GLU A 48 -4.510 10.843 -2.780 1.00 0.00 C ATOM 760 CG GLU A 48 -5.352 11.987 -3.346 1.00 0.00 C ATOM 761 CD GLU A 48 -4.869 12.384 -4.743 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.961 11.521 -5.642 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.419 13.542 -4.880 1.00 0.00 O ATOM 0 H GLU A 48 -4.107 10.811 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.367 10.315 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.642 11.248 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.133 10.226 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.398 11.685 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.297 12.848 -2.680 1.00 0.00 H new ATOM 770 N LEU A 49 -4.158 7.877 -1.893 1.00 0.00 N ATOM 771 CA LEU A 49 -3.967 6.472 -2.213 1.00 0.00 C ATOM 772 C LEU A 49 -5.001 5.636 -1.456 1.00 0.00 C ATOM 773 O LEU A 49 -5.726 4.846 -2.058 1.00 0.00 O ATOM 774 CB LEU A 49 -2.521 6.053 -1.944 1.00 0.00 C ATOM 775 CG LEU A 49 -1.790 5.379 -3.107 1.00 0.00 C ATOM 776 CD1 LEU A 49 -1.005 6.403 -3.929 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.899 4.239 -2.609 1.00 0.00 C ATOM 0 H LEU A 49 -3.374 8.314 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.132 6.297 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.956 6.938 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.513 5.372 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.536 4.939 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.495 5.897 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.691 7.148 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.269 6.894 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.391 3.777 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.159 4.633 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.512 3.493 -2.103 1.00 0.00 H new ATOM 789 N PHE A 50 -5.035 5.839 -0.147 1.00 0.00 N ATOM 790 CA PHE A 50 -5.968 5.114 0.699 1.00 0.00 C ATOM 791 C PHE A 50 -7.365 5.086 0.075 1.00 0.00 C ATOM 792 O PHE A 50 -7.969 4.022 -0.056 1.00 0.00 O ATOM 793 CB PHE A 50 -6.033 5.858 2.034 1.00 0.00 C ATOM 794 CG PHE A 50 -6.968 5.215 3.060 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.846 3.894 3.357 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.922 5.965 3.675 1.00 0.00 C ATOM 797 CE1 PHE A 50 -7.713 3.297 4.309 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.789 5.368 4.627 1.00 0.00 C ATOM 799 CZ PHE A 50 -8.667 4.046 4.924 1.00 0.00 C ATOM 0 H PHE A 50 -4.431 6.495 0.348 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.634 4.084 0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.030 5.913 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.359 6.882 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.089 3.299 2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.020 7.014 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.615 2.248 4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.546 5.963 5.116 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.327 3.592 5.648 1.00 0.00 H new ATOM 809 N GLU A 51 -7.838 6.268 -0.292 1.00 0.00 N ATOM 810 CA GLU A 51 -9.153 6.392 -0.898 1.00 0.00 C ATOM 811 C GLU A 51 -9.116 5.909 -2.349 1.00 0.00 C ATOM 812 O GLU A 51 -10.011 5.190 -2.791 1.00 0.00 O ATOM 813 CB GLU A 51 -9.662 7.832 -0.812 1.00 0.00 C ATOM 814 CG GLU A 51 -11.036 7.888 -0.141 1.00 0.00 C ATOM 815 CD GLU A 51 -11.176 9.146 0.718 1.00 0.00 C ATOM 816 OE1 GLU A 51 -11.016 10.246 0.145 1.00 0.00 O ATOM 817 OE2 GLU A 51 -11.439 8.981 1.929 1.00 0.00 O ATOM 0 H GLU A 51 -7.334 7.148 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.849 5.762 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.953 8.439 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.724 8.260 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.817 7.874 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.178 7.003 0.479 1.00 0.00 H new ATOM 824 N GLU A 52 -8.072 6.324 -3.051 1.00 0.00 N ATOM 825 CA GLU A 52 -7.907 5.943 -4.443 1.00 0.00 C ATOM 826 C GLU A 52 -7.947 4.420 -4.585 1.00 0.00 C ATOM 827 O GLU A 52 -8.764 3.884 -5.332 1.00 0.00 O ATOM 828 CB GLU A 52 -6.608 6.513 -5.018 1.00 0.00 C ATOM 829 CG GLU A 52 -6.433 6.109 -6.483 1.00 0.00 C ATOM 830 CD GLU A 52 -5.040 5.526 -6.728 1.00 0.00 C ATOM 831 OE1 GLU A 52 -4.101 6.340 -6.870 1.00 0.00 O ATOM 832 OE2 GLU A 52 -4.945 4.281 -6.769 1.00 0.00 O ATOM 0 H GLU A 52 -7.332 6.921 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.734 6.364 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.616 7.600 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.760 6.155 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.191 5.375 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.586 6.977 -7.124 1.00 0.00 H new ATOM 839 N LEU A 53 -7.054 3.766 -3.857 1.00 0.00 N ATOM 840 CA LEU A 53 -6.977 2.315 -3.892 1.00 0.00 C ATOM 841 C LEU A 53 -8.315 1.727 -3.438 1.00 0.00 C ATOM 842 O LEU A 53 -8.985 1.036 -4.204 1.00 0.00 O ATOM 843 CB LEU A 53 -5.780 1.822 -3.077 1.00 0.00 C ATOM 844 CG LEU A 53 -4.427 2.441 -3.431 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.500 2.467 -2.214 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.789 1.720 -4.621 1.00 0.00 C ATOM 0 H LEU A 53 -6.377 4.214 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.804 1.967 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.980 2.013 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.705 0.741 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.593 3.475 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.545 2.912 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.957 3.058 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.336 1.449 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.828 2.180 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.638 0.670 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.446 1.797 -5.488 1.00 0.00 H new ATOM 858 N ASP A 54 -8.664 2.023 -2.195 1.00 0.00 N ATOM 859 CA ASP A 54 -9.909 1.532 -1.630 1.00 0.00 C ATOM 860 C ASP A 54 -11.079 2.322 -2.222 1.00 0.00 C ATOM 861 O ASP A 54 -11.342 3.450 -1.809 1.00 0.00 O ATOM 862 CB ASP A 54 -9.935 1.715 -0.111 1.00 0.00 C ATOM 863 CG ASP A 54 -11.230 1.269 0.572 1.00 0.00 C ATOM 864 OD1 ASP A 54 -11.658 0.130 0.287 1.00 0.00 O ATOM 865 OD2 ASP A 54 -11.761 2.077 1.363 1.00 0.00 O ATOM 0 H ASP A 54 -8.106 2.597 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.992 0.471 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.104 1.158 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.766 2.768 0.116 1.00 0.00 H new ATOM 947 N VAL A 61 -6.897 -1.904 1.698 1.00 0.00 N ATOM 948 CA VAL A 61 -6.307 -1.857 0.371 1.00 0.00 C ATOM 949 C VAL A 61 -6.108 -3.283 -0.145 1.00 0.00 C ATOM 950 O VAL A 61 -6.833 -3.733 -1.032 1.00 0.00 O ATOM 951 CB VAL A 61 -5.009 -1.047 0.404 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.134 -1.365 -0.809 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.301 0.452 0.492 1.00 0.00 C ATOM 0 HA VAL A 61 -6.974 -1.349 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.457 -1.334 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.218 -0.776 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.884 -2.426 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.676 -1.120 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.362 1.005 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.884 0.761 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.866 0.660 1.401 1.00 0.00 H new ATOM 963 N SER A 62 -5.123 -3.956 0.432 1.00 0.00 N ATOM 964 CA SER A 62 -4.820 -5.322 0.042 1.00 0.00 C ATOM 965 C SER A 62 -3.793 -5.327 -1.092 1.00 0.00 C ATOM 966 O SER A 62 -3.719 -4.377 -1.871 1.00 0.00 O ATOM 967 CB SER A 62 -6.087 -6.066 -0.386 1.00 0.00 C ATOM 968 OG SER A 62 -7.209 -5.717 0.419 1.00 0.00 O ATOM 0 H SER A 62 -4.524 -3.580 1.167 1.00 0.00 H new ATOM 0 HA SER A 62 -4.401 -5.839 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.305 -5.839 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.915 -7.141 -0.322 1.00 0.00 H new ATOM 0 HG SER A 62 -7.781 -5.090 -0.071 1.00 0.00 H new ATOM 974 N PHE A 63 -3.026 -6.406 -1.149 1.00 0.00 N ATOM 975 CA PHE A 63 -2.007 -6.546 -2.175 1.00 0.00 C ATOM 976 C PHE A 63 -2.580 -6.248 -3.562 1.00 0.00 C ATOM 977 O PHE A 63 -1.951 -5.556 -4.361 1.00 0.00 O ATOM 978 CB PHE A 63 -1.529 -7.999 -2.135 1.00 0.00 C ATOM 979 CG PHE A 63 -0.389 -8.306 -3.107 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.724 -7.523 -3.119 1.00 0.00 C ATOM 981 CD2 PHE A 63 -0.486 -9.362 -3.958 1.00 0.00 C ATOM 982 CE1 PHE A 63 1.782 -7.808 -4.021 1.00 0.00 C ATOM 983 CE2 PHE A 63 0.573 -9.647 -4.860 1.00 0.00 C ATOM 984 CZ PHE A 63 1.685 -8.864 -4.873 1.00 0.00 C ATOM 0 H PHE A 63 -3.090 -7.191 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.194 -5.845 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.203 -8.236 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.371 -8.654 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.802 -6.685 -2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.369 -9.984 -3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.665 -7.186 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.495 -10.486 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.490 -9.080 -5.559 1.00 0.00 H new ATOM 994 N GLU A 64 -3.766 -6.785 -3.805 1.00 0.00 N ATOM 995 CA GLU A 64 -4.431 -6.585 -5.081 1.00 0.00 C ATOM 996 C GLU A 64 -4.543 -5.092 -5.393 1.00 0.00 C ATOM 997 O GLU A 64 -3.939 -4.606 -6.348 1.00 0.00 O ATOM 998 CB GLU A 64 -5.807 -7.253 -5.093 1.00 0.00 C ATOM 999 CG GLU A 64 -5.678 -8.777 -5.109 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.718 -9.407 -6.038 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -6.820 -8.922 -7.186 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -7.387 -10.358 -5.580 1.00 0.00 O ATOM 0 H GLU A 64 -4.284 -7.359 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.829 -7.054 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.374 -6.942 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.368 -6.923 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.677 -9.057 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.804 -9.167 -4.099 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.321 -4.405 -4.569 1.00 0.00 N ATOM 1010 CA GLU A 65 -5.520 -2.976 -4.745 1.00 0.00 C ATOM 1011 C GLU A 65 -4.172 -2.254 -4.794 1.00 0.00 C ATOM 1012 O GLU A 65 -4.028 -1.246 -5.483 1.00 0.00 O ATOM 1013 CB GLU A 65 -6.408 -2.406 -3.638 1.00 0.00 C ATOM 1014 CG GLU A 65 -7.801 -3.038 -3.672 1.00 0.00 C ATOM 1015 CD GLU A 65 -8.877 -2.012 -3.310 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -8.576 -1.150 -2.457 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -9.977 -2.114 -3.896 1.00 0.00 O ATOM 0 H GLU A 65 -5.821 -4.811 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.031 -2.814 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.946 -2.587 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.492 -1.326 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.997 -3.441 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.842 -3.875 -2.975 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.218 -2.799 -4.052 1.00 0.00 N ATOM 1025 CA PHE A 66 -1.887 -2.219 -4.002 1.00 0.00 C ATOM 1026 C PHE A 66 -1.136 -2.454 -5.314 1.00 0.00 C ATOM 1027 O PHE A 66 -0.438 -1.566 -5.801 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.137 -2.920 -2.867 1.00 0.00 C ATOM 1029 CG PHE A 66 0.301 -2.431 -2.676 1.00 0.00 C ATOM 1030 CD1 PHE A 66 0.555 -1.102 -2.539 1.00 0.00 C ATOM 1031 CD2 PHE A 66 1.324 -3.326 -2.644 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.889 -0.649 -2.362 1.00 0.00 C ATOM 1033 CE2 PHE A 66 2.658 -2.873 -2.467 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.912 -1.544 -2.330 1.00 0.00 C ATOM 0 H PHE A 66 -3.341 -3.635 -3.481 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.956 -1.143 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.686 -2.773 -1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.122 -3.992 -3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.258 -0.391 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.122 -4.381 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.091 0.406 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.471 -3.584 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.927 -1.199 -2.196 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.306 -3.654 -5.849 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.654 -4.016 -7.096 1.00 0.00 C ATOM 1046 C GLN A 67 -0.872 -2.925 -8.146 1.00 0.00 C ATOM 1047 O GLN A 67 -0.012 -2.695 -8.995 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.152 -5.372 -7.602 1.00 0.00 C ATOM 1049 CG GLN A 67 -0.738 -6.497 -6.651 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.103 -7.658 -7.420 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -0.726 -8.671 -7.691 1.00 0.00 O ATOM 1052 NE2 GLN A 67 1.168 -7.454 -7.754 1.00 0.00 N ATOM 0 H GLN A 67 -1.886 -4.388 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 67 0.416 -4.105 -6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.238 -5.352 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.748 -5.564 -8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.032 -6.114 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.610 -6.853 -6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.630 -6.582 -7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.681 -8.170 -8.269 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.027 -2.283 -8.054 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.369 -1.221 -8.986 1.00 0.00 C ATOM 1063 C VAL A 68 -1.331 -0.102 -8.881 1.00 0.00 C ATOM 1064 O VAL A 68 -0.988 0.527 -9.881 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.797 -0.738 -8.726 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -4.110 0.515 -9.548 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.812 -1.847 -9.011 1.00 0.00 C ATOM 0 H VAL A 68 -2.738 -2.477 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.346 -1.590 -10.011 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.875 -0.476 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.131 0.838 -9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.417 1.311 -9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.005 0.290 -10.609 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.819 -1.477 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.732 -2.154 -10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.609 -2.701 -8.364 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.859 0.111 -7.662 1.00 0.00 N ATOM 1078 CA LEU A 69 0.133 1.143 -7.414 1.00 0.00 C ATOM 1079 C LEU A 69 1.507 0.644 -7.867 1.00 0.00 C ATOM 1080 O LEU A 69 2.313 1.416 -8.384 1.00 0.00 O ATOM 1081 CB LEU A 69 0.092 1.586 -5.950 1.00 0.00 C ATOM 1082 CG LEU A 69 0.993 2.765 -5.579 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.225 4.086 -5.653 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.639 2.553 -4.209 1.00 0.00 C ATOM 0 H LEU A 69 -1.145 -0.413 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.092 2.035 -7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.936 1.847 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.366 0.735 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 69 1.800 2.820 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.888 4.908 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.146 4.235 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.616 4.057 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.274 3.406 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.862 2.456 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.242 1.645 -4.228 1.00 0.00 H new ATOM 1096 N VAL A 70 1.731 -0.645 -7.656 1.00 0.00 N ATOM 1097 CA VAL A 70 2.993 -1.257 -8.036 1.00 0.00 C ATOM 1098 C VAL A 70 3.201 -1.093 -9.543 1.00 0.00 C ATOM 1099 O VAL A 70 4.329 -0.925 -10.004 1.00 0.00 O ATOM 1100 CB VAL A 70 3.024 -2.718 -7.583 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.955 -3.547 -8.470 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.427 -2.827 -6.112 1.00 0.00 C ATOM 0 H VAL A 70 1.060 -1.282 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 70 3.824 -0.759 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 70 2.017 -3.122 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.959 -4.581 -8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.605 -3.508 -9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.966 -3.143 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.441 -3.876 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.419 -2.397 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.708 -2.286 -5.497 1.00 0.00 H new ATOM 1112 N LYS A 71 2.094 -1.148 -10.270 1.00 0.00 N ATOM 1113 CA LYS A 71 2.140 -1.009 -11.716 1.00 0.00 C ATOM 1114 C LYS A 71 2.913 0.262 -12.076 1.00 0.00 C ATOM 1115 O LYS A 71 3.758 0.246 -12.970 1.00 0.00 O ATOM 1116 CB LYS A 71 0.729 -1.058 -12.304 1.00 0.00 C ATOM 1117 CG LYS A 71 0.719 -1.799 -13.643 1.00 0.00 C ATOM 1118 CD LYS A 71 0.211 -0.894 -14.767 1.00 0.00 C ATOM 1119 CE LYS A 71 1.083 -1.029 -16.016 1.00 0.00 C ATOM 1120 NZ LYS A 71 0.532 -2.060 -16.924 1.00 0.00 N ATOM 0 H LYS A 71 1.160 -1.287 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 71 2.675 -1.847 -12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.057 -1.554 -11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.353 -0.044 -12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.725 -2.147 -13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.086 -2.683 -13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.820 -1.153 -15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.209 0.143 -14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.137 -0.071 -16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.101 -1.295 -15.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.136 -2.139 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.503 -2.976 -16.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.430 -1.791 -17.212 1.00 0.00 H new ATOM 1134 N LYS A 72 2.595 1.332 -11.363 1.00 0.00 N ATOM 1135 CA LYS A 72 3.249 2.608 -11.597 1.00 0.00 C ATOM 1136 C LYS A 72 4.703 2.525 -11.128 1.00 0.00 C ATOM 1137 O LYS A 72 5.554 3.280 -11.596 1.00 0.00 O ATOM 1138 CB LYS A 72 2.457 3.743 -10.945 1.00 0.00 C ATOM 1139 CG LYS A 72 1.030 3.801 -11.493 1.00 0.00 C ATOM 1140 CD LYS A 72 0.088 2.926 -10.664 1.00 0.00 C ATOM 1141 CE LYS A 72 -1.136 3.720 -10.204 1.00 0.00 C ATOM 1142 NZ LYS A 72 -1.948 4.140 -11.368 1.00 0.00 N ATOM 0 H LYS A 72 1.893 1.342 -10.623 1.00 0.00 H new ATOM 0 HA LYS A 72 3.270 2.835 -12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.430 3.599 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.959 4.693 -11.127 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.675 4.832 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.022 3.469 -12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.232 2.068 -11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.619 2.535 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.741 3.111 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.817 4.597 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.875 4.480 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.458 4.905 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.082 3.331 -12.008 1.00 0.00 H new ATOM 1156 N ILE A 73 4.943 1.601 -10.210 1.00 0.00 N ATOM 1157 CA ILE A 73 6.280 1.409 -9.672 1.00 0.00 C ATOM 1158 C ILE A 73 7.124 0.630 -10.683 1.00 0.00 C ATOM 1159 O ILE A 73 8.260 1.007 -10.970 1.00 0.00 O ATOM 1160 CB ILE A 73 6.213 0.753 -8.292 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.720 1.745 -7.236 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.561 0.135 -7.913 1.00 0.00 C ATOM 1163 CD1 ILE A 73 5.204 1.014 -5.995 1.00 0.00 C ATOM 0 H ILE A 73 4.235 0.977 -9.825 1.00 0.00 H new ATOM 0 HA ILE A 73 6.771 2.370 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 73 5.487 -0.059 -8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.532 2.416 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.926 2.363 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.486 -0.325 -6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.833 -0.623 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.325 0.912 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.860 1.742 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.377 0.362 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.007 0.416 -5.564 1.00 0.00 H new ATOM 1175 N SER A 74 6.537 -0.441 -11.196 1.00 0.00 N ATOM 1176 CA SER A 74 7.222 -1.276 -12.168 1.00 0.00 C ATOM 1177 C SER A 74 7.221 -0.592 -13.537 1.00 0.00 C ATOM 1178 O SER A 74 8.276 -0.406 -14.142 1.00 0.00 O ATOM 1179 CB SER A 74 6.570 -2.657 -12.265 1.00 0.00 C ATOM 1180 OG SER A 74 6.948 -3.503 -11.182 1.00 0.00 O ATOM 0 H SER A 74 5.595 -0.750 -10.957 1.00 0.00 H new ATOM 0 HA SER A 74 8.251 -1.413 -11.837 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.486 -2.546 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.853 -3.126 -13.207 1.00 0.00 H new ATOM 0 HG SER A 74 6.510 -4.374 -11.279 1.00 0.00 H new ATOM 1186 N GLN A 75 6.026 -0.237 -13.985 1.00 0.00 N ATOM 1187 CA GLN A 75 5.875 0.422 -15.271 1.00 0.00 C ATOM 1188 C GLN A 75 6.379 1.864 -15.191 1.00 0.00 C ATOM 1189 O GLN A 75 6.640 2.492 -16.216 1.00 0.00 O ATOM 1190 CB GLN A 75 4.420 0.375 -15.744 1.00 0.00 C ATOM 1191 CG GLN A 75 4.331 -0.097 -17.196 1.00 0.00 C ATOM 1192 CD GLN A 75 5.048 -1.436 -17.383 1.00 0.00 C ATOM 1193 OE1 GLN A 75 5.951 -1.578 -18.191 1.00 0.00 O ATOM 1194 NE2 GLN A 75 4.597 -2.406 -16.593 1.00 0.00 N ATOM 0 H GLN A 75 5.153 -0.393 -13.481 1.00 0.00 H new ATOM 0 HA GLN A 75 6.478 -0.113 -16.004 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.847 -0.296 -15.104 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.971 1.364 -15.651 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.285 -0.197 -17.486 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.774 0.651 -17.853 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.837 -2.219 -15.938 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.011 -3.337 -16.642 1.00 0.00 H new