USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 289 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 10 LYS NZ :NH3+ -156:sc= -0.454 (180deg=-1.39) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= -0.0732 (180deg=-0.0732) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -129:sc= -0.0807 (180deg=-0.455) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.89) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 7 7.758 8.103 -0.667 1.00 0.00 N ATOM 59 CA VAL A 7 6.843 7.145 -0.054 1.00 0.00 C ATOM 60 C VAL A 7 5.434 7.284 -0.621 1.00 0.00 C ATOM 61 O VAL A 7 4.745 6.288 -0.842 1.00 0.00 O ATOM 62 CB VAL A 7 6.795 7.317 1.476 1.00 0.00 C ATOM 63 CG1 VAL A 7 8.086 6.824 2.109 1.00 0.00 C ATOM 64 CG2 VAL A 7 6.536 8.770 1.844 1.00 0.00 C ATOM 0 HA VAL A 7 7.223 6.150 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 7 5.973 6.716 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.034 6.953 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.225 5.768 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.926 7.396 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.506 8.871 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.335 9.395 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.582 9.087 1.423 1.00 0.00 H new ATOM 74 N ASP A 8 5.013 8.524 -0.858 1.00 0.00 N ATOM 75 CA ASP A 8 3.686 8.795 -1.404 1.00 0.00 C ATOM 76 C ASP A 8 3.477 8.046 -2.714 1.00 0.00 C ATOM 77 O ASP A 8 2.435 7.429 -2.922 1.00 0.00 O ATOM 78 CB ASP A 8 3.505 10.296 -1.633 1.00 0.00 C ATOM 79 CG ASP A 8 3.677 11.100 -0.360 1.00 0.00 C ATOM 80 OD1 ASP A 8 4.829 11.453 -0.031 1.00 0.00 O ATOM 81 OD2 ASP A 8 2.658 11.381 0.308 1.00 0.00 O ATOM 0 H ASP A 8 5.573 9.358 -0.680 1.00 0.00 H new ATOM 0 HA ASP A 8 2.945 8.450 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.227 10.637 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.513 10.481 -2.045 1.00 0.00 H new ATOM 86 N ALA A 9 4.471 8.112 -3.596 1.00 0.00 N ATOM 87 CA ALA A 9 4.393 7.429 -4.882 1.00 0.00 C ATOM 88 C ALA A 9 4.067 5.955 -4.683 1.00 0.00 C ATOM 89 O ALA A 9 3.315 5.364 -5.458 1.00 0.00 O ATOM 90 CB ALA A 9 5.697 7.586 -5.645 1.00 0.00 C ATOM 0 H ALA A 9 5.336 8.630 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 9 3.593 7.883 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.623 7.071 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.893 8.644 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.513 7.156 -5.064 1.00 0.00 H new ATOM 96 N LYS A 10 4.641 5.367 -3.638 1.00 0.00 N ATOM 97 CA LYS A 10 4.399 3.966 -3.324 1.00 0.00 C ATOM 98 C LYS A 10 2.966 3.787 -2.840 1.00 0.00 C ATOM 99 O LYS A 10 2.303 2.797 -3.159 1.00 0.00 O ATOM 100 CB LYS A 10 5.380 3.476 -2.255 1.00 0.00 C ATOM 101 CG LYS A 10 6.838 3.817 -2.543 1.00 0.00 C ATOM 102 CD LYS A 10 7.267 3.394 -3.930 1.00 0.00 C ATOM 103 CE LYS A 10 7.240 1.892 -4.087 1.00 0.00 C ATOM 104 NZ LYS A 10 7.888 1.197 -2.940 1.00 0.00 N ATOM 0 H LYS A 10 5.276 5.840 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 10 4.550 3.374 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.100 3.909 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.284 2.395 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.986 4.891 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.475 3.330 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.609 3.850 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.273 3.763 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.207 1.556 -4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.747 1.615 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.214 0.257 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.701 1.756 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.202 1.092 -2.165 1.00 0.00 H new ATOM 118 N ILE A 11 2.493 4.755 -2.063 1.00 0.00 N ATOM 119 CA ILE A 11 1.135 4.712 -1.549 1.00 0.00 C ATOM 120 C ILE A 11 0.141 4.751 -2.698 1.00 0.00 C ATOM 121 O ILE A 11 -0.692 3.856 -2.839 1.00 0.00 O ATOM 122 CB ILE A 11 0.848 5.877 -0.588 1.00 0.00 C ATOM 123 CG1 ILE A 11 1.828 5.848 0.589 1.00 0.00 C ATOM 124 CG2 ILE A 11 -0.592 5.789 -0.102 1.00 0.00 C ATOM 125 CD1 ILE A 11 1.604 6.952 1.603 1.00 0.00 C ATOM 0 H ILE A 11 3.029 5.574 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 11 1.027 3.780 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 11 0.983 6.823 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.748 4.884 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.845 5.923 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.797 6.614 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.268 5.846 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.743 4.843 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.337 6.864 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.714 7.921 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.600 6.867 2.018 1.00 0.00 H new ATOM 137 N ALA A 12 0.222 5.805 -3.509 1.00 0.00 N ATOM 138 CA ALA A 12 -0.651 5.943 -4.665 1.00 0.00 C ATOM 139 C ALA A 12 -0.577 4.678 -5.507 1.00 0.00 C ATOM 140 O ALA A 12 -1.584 4.210 -6.047 1.00 0.00 O ATOM 141 CB ALA A 12 -0.260 7.161 -5.489 1.00 0.00 C ATOM 0 H ALA A 12 0.883 6.572 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.677 6.086 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.924 7.247 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.343 8.058 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.768 7.052 -5.834 1.00 0.00 H new ATOM 147 N LYS A 13 0.632 4.130 -5.609 1.00 0.00 N ATOM 148 CA LYS A 13 0.853 2.900 -6.353 1.00 0.00 C ATOM 149 C LYS A 13 -0.107 1.832 -5.848 1.00 0.00 C ATOM 150 O LYS A 13 -0.665 1.059 -6.629 1.00 0.00 O ATOM 151 CB LYS A 13 2.300 2.431 -6.186 1.00 0.00 C ATOM 152 CG LYS A 13 2.635 1.188 -6.992 1.00 0.00 C ATOM 153 CD LYS A 13 2.553 1.456 -8.485 1.00 0.00 C ATOM 154 CE LYS A 13 3.394 0.467 -9.268 1.00 0.00 C ATOM 155 NZ LYS A 13 3.336 0.723 -10.733 1.00 0.00 N ATOM 0 H LYS A 13 1.472 4.522 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 13 0.672 3.081 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.971 3.237 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.489 2.231 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.638 0.847 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.948 0.385 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.515 1.393 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.892 2.471 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.429 0.524 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.047 -0.546 -9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.924 0.025 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.352 0.643 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.691 1.680 -10.932 1.00 0.00 H new ATOM 169 N LEU A 14 -0.293 1.799 -4.529 1.00 0.00 N ATOM 170 CA LEU A 14 -1.199 0.852 -3.906 1.00 0.00 C ATOM 171 C LEU A 14 -2.649 1.290 -4.100 1.00 0.00 C ATOM 172 O LEU A 14 -3.555 0.461 -4.173 1.00 0.00 O ATOM 173 CB LEU A 14 -0.885 0.725 -2.417 1.00 0.00 C ATOM 174 CG LEU A 14 -0.706 -0.709 -1.929 1.00 0.00 C ATOM 175 CD1 LEU A 14 0.768 -1.030 -1.734 1.00 0.00 C ATOM 176 CD2 LEU A 14 -1.485 -0.946 -0.645 1.00 0.00 C ATOM 0 H LEU A 14 0.177 2.423 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.063 -0.120 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.025 1.285 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.689 1.192 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.103 -1.379 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.874 -2.057 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.294 -0.912 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.194 -0.351 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.341 -1.976 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.128 -0.266 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.545 -0.767 -0.824 1.00 0.00 H new ATOM 188 N MET A 15 -2.857 2.603 -4.183 1.00 0.00 N ATOM 189 CA MET A 15 -4.193 3.158 -4.376 1.00 0.00 C ATOM 190 C MET A 15 -4.736 2.785 -5.747 1.00 0.00 C ATOM 191 O MET A 15 -5.942 2.867 -5.987 1.00 0.00 O ATOM 192 CB MET A 15 -4.170 4.679 -4.217 1.00 0.00 C ATOM 193 CG MET A 15 -4.477 5.148 -2.804 1.00 0.00 C ATOM 194 SD MET A 15 -3.422 4.368 -1.567 1.00 0.00 S ATOM 195 CE MET A 15 -4.110 5.049 -0.060 1.00 0.00 C ATOM 0 H MET A 15 -2.116 3.301 -4.119 1.00 0.00 H new ATOM 0 HA MET A 15 -4.849 2.736 -3.615 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.188 5.052 -4.509 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.895 5.119 -4.902 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.354 6.230 -2.750 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.520 4.933 -2.573 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.562 4.660 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.028 6.136 -0.081 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.160 4.766 0.021 1.00 0.00 H new ATOM 205 N GLY A 16 -3.836 2.392 -6.646 1.00 0.00 N ATOM 206 CA GLY A 16 -4.239 1.992 -7.983 1.00 0.00 C ATOM 207 C GLY A 16 -5.479 1.123 -7.970 1.00 0.00 C ATOM 208 O GLY A 16 -6.470 1.427 -8.634 1.00 0.00 O ATOM 0 H GLY A 16 -2.832 2.344 -6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.426 2.881 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.422 1.450 -8.460 1.00 0.00 H new ATOM 212 N GLU A 17 -5.414 0.037 -7.209 1.00 0.00 N ATOM 213 CA GLU A 17 -6.538 -0.883 -7.085 1.00 0.00 C ATOM 214 C GLU A 17 -7.754 -0.169 -6.501 1.00 0.00 C ATOM 215 O GLU A 17 -8.888 -0.404 -6.919 1.00 0.00 O ATOM 216 CB GLU A 17 -6.155 -2.072 -6.203 1.00 0.00 C ATOM 217 CG GLU A 17 -5.216 -3.049 -6.888 1.00 0.00 C ATOM 218 CD GLU A 17 -4.467 -3.927 -5.904 1.00 0.00 C ATOM 219 OE1 GLU A 17 -3.380 -3.514 -5.449 1.00 0.00 O ATOM 220 OE2 GLU A 17 -4.968 -5.028 -5.589 1.00 0.00 O ATOM 0 H GLU A 17 -4.592 -0.229 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.794 -1.249 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.683 -1.703 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.060 -2.599 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.788 -3.679 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.499 -2.494 -7.493 1.00 0.00 H new ATOM 227 N GLY A 18 -7.502 0.703 -5.529 1.00 0.00 N ATOM 228 CA GLY A 18 -8.573 1.452 -4.896 1.00 0.00 C ATOM 229 C GLY A 18 -9.117 0.761 -3.661 1.00 0.00 C ATOM 230 O GLY A 18 -10.113 0.041 -3.733 1.00 0.00 O ATOM 0 H GLY A 18 -6.570 0.905 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.207 2.442 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.382 1.598 -5.612 1.00 0.00 H new ATOM 234 N TYR A 19 -8.466 0.985 -2.524 1.00 0.00 N ATOM 235 CA TYR A 19 -8.887 0.379 -1.266 1.00 0.00 C ATOM 236 C TYR A 19 -8.715 1.348 -0.099 1.00 0.00 C ATOM 237 O TYR A 19 -8.280 2.485 -0.286 1.00 0.00 O ATOM 238 CB TYR A 19 -8.090 -0.901 -1.004 1.00 0.00 C ATOM 239 CG TYR A 19 -8.681 -2.126 -1.663 1.00 0.00 C ATOM 240 CD1 TYR A 19 -8.441 -2.403 -3.002 1.00 0.00 C ATOM 241 CD2 TYR A 19 -9.481 -3.004 -0.944 1.00 0.00 C ATOM 242 CE1 TYR A 19 -8.982 -3.522 -3.608 1.00 0.00 C ATOM 243 CE2 TYR A 19 -10.025 -4.125 -1.542 1.00 0.00 C ATOM 244 CZ TYR A 19 -9.774 -4.379 -2.873 1.00 0.00 C ATOM 245 OH TYR A 19 -10.315 -5.493 -3.472 1.00 0.00 O ATOM 0 H TYR A 19 -7.643 1.583 -2.448 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.946 0.133 -1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.069 -0.763 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.032 -1.069 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.821 -1.733 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.681 -2.808 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.785 -3.724 -4.651 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.644 -4.799 -0.969 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.846 -5.992 -2.816 1.00 0.00 H new ATOM 255 N ALA A 20 -9.063 0.889 1.101 1.00 0.00 N ATOM 256 CA ALA A 20 -8.946 1.709 2.301 1.00 0.00 C ATOM 257 C ALA A 20 -7.545 2.291 2.434 1.00 0.00 C ATOM 258 O ALA A 20 -6.576 1.718 1.938 1.00 0.00 O ATOM 259 CB ALA A 20 -9.289 0.889 3.536 1.00 0.00 C ATOM 0 H ALA A 20 -9.429 -0.049 1.267 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.652 2.535 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.197 1.514 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.312 0.520 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.604 0.045 3.614 1.00 0.00 H new ATOM 265 N PHE A 21 -7.447 3.432 3.105 1.00 0.00 N ATOM 266 CA PHE A 21 -6.162 4.091 3.304 1.00 0.00 C ATOM 267 C PHE A 21 -5.397 3.429 4.443 1.00 0.00 C ATOM 268 O PHE A 21 -4.168 3.373 4.431 1.00 0.00 O ATOM 269 CB PHE A 21 -6.362 5.580 3.599 1.00 0.00 C ATOM 270 CG PHE A 21 -7.066 5.851 4.901 1.00 0.00 C ATOM 271 CD1 PHE A 21 -8.448 5.800 4.982 1.00 0.00 C ATOM 272 CD2 PHE A 21 -6.342 6.158 6.042 1.00 0.00 C ATOM 273 CE1 PHE A 21 -9.095 6.050 6.177 1.00 0.00 C ATOM 274 CE2 PHE A 21 -6.984 6.408 7.241 1.00 0.00 C ATOM 275 CZ PHE A 21 -8.363 6.354 7.308 1.00 0.00 C ATOM 0 H PHE A 21 -8.241 3.920 3.520 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.580 3.993 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.389 6.072 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.934 6.028 2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.026 5.562 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.264 6.203 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.173 6.008 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.408 6.645 8.124 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.867 6.549 8.243 1.00 0.00 H new ATOM 285 N GLU A 22 -6.137 2.924 5.424 1.00 0.00 N ATOM 286 CA GLU A 22 -5.535 2.265 6.574 1.00 0.00 C ATOM 287 C GLU A 22 -4.813 0.992 6.149 1.00 0.00 C ATOM 288 O GLU A 22 -3.686 0.738 6.569 1.00 0.00 O ATOM 289 CB GLU A 22 -6.602 1.935 7.619 1.00 0.00 C ATOM 290 CG GLU A 22 -6.034 1.350 8.901 1.00 0.00 C ATOM 291 CD GLU A 22 -7.101 1.089 9.947 1.00 0.00 C ATOM 292 OE1 GLU A 22 -7.459 2.037 10.678 1.00 0.00 O ATOM 293 OE2 GLU A 22 -7.575 -0.062 10.037 1.00 0.00 O ATOM 0 H GLU A 22 -7.156 2.959 5.444 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.808 2.948 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.158 2.842 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.313 1.229 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.518 0.417 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.290 2.034 9.309 1.00 0.00 H new ATOM 300 N GLU A 23 -5.467 0.195 5.308 1.00 0.00 N ATOM 301 CA GLU A 23 -4.885 -1.054 4.832 1.00 0.00 C ATOM 302 C GLU A 23 -3.631 -0.804 3.997 1.00 0.00 C ATOM 303 O GLU A 23 -2.693 -1.600 4.017 1.00 0.00 O ATOM 304 CB GLU A 23 -5.909 -1.838 4.012 1.00 0.00 C ATOM 305 CG GLU A 23 -7.037 -2.405 4.851 1.00 0.00 C ATOM 306 CD GLU A 23 -7.877 -3.416 4.093 1.00 0.00 C ATOM 307 OE1 GLU A 23 -8.862 -3.002 3.447 1.00 0.00 O ATOM 308 OE2 GLU A 23 -7.550 -4.620 4.147 1.00 0.00 O ATOM 0 H GLU A 23 -6.399 0.393 4.943 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.599 -1.640 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.327 -1.186 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.403 -2.654 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.621 -2.878 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.676 -1.590 5.192 1.00 0.00 H new ATOM 315 N VAL A 24 -3.619 0.308 3.269 1.00 0.00 N ATOM 316 CA VAL A 24 -2.486 0.657 2.416 1.00 0.00 C ATOM 317 C VAL A 24 -1.246 1.017 3.231 1.00 0.00 C ATOM 318 O VAL A 24 -0.258 0.281 3.228 1.00 0.00 O ATOM 319 CB VAL A 24 -2.835 1.833 1.480 1.00 0.00 C ATOM 320 CG1 VAL A 24 -1.611 2.289 0.698 1.00 0.00 C ATOM 321 CG2 VAL A 24 -3.955 1.440 0.531 1.00 0.00 C ATOM 0 H VAL A 24 -4.382 0.985 3.252 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.265 -0.228 1.820 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.174 2.667 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.884 3.119 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.836 2.613 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.236 1.462 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.190 2.280 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.639 0.588 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.841 1.169 1.106 1.00 0.00 H new ATOM 331 N LYS A 25 -1.300 2.151 3.925 1.00 0.00 N ATOM 332 CA LYS A 25 -0.169 2.615 4.725 1.00 0.00 C ATOM 333 C LYS A 25 0.304 1.552 5.711 1.00 0.00 C ATOM 334 O LYS A 25 1.506 1.397 5.930 1.00 0.00 O ATOM 335 CB LYS A 25 -0.526 3.900 5.476 1.00 0.00 C ATOM 336 CG LYS A 25 -0.585 5.136 4.592 1.00 0.00 C ATOM 337 CD LYS A 25 -1.818 5.136 3.700 1.00 0.00 C ATOM 338 CE LYS A 25 -1.999 6.470 2.996 1.00 0.00 C ATOM 339 NZ LYS A 25 -2.214 7.585 3.959 1.00 0.00 N ATOM 0 H LYS A 25 -2.114 2.765 3.950 1.00 0.00 H new ATOM 0 HA LYS A 25 0.648 2.820 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.492 3.768 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.209 4.064 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.588 6.029 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.311 5.183 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.731 4.342 2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.702 4.918 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.119 6.681 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.849 6.409 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.059 8.124 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.347 7.197 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.385 8.214 3.953 1.00 0.00 H new ATOM 353 N ARG A 26 -0.633 0.820 6.308 1.00 0.00 N ATOM 354 CA ARG A 26 -0.272 -0.219 7.268 1.00 0.00 C ATOM 355 C ARG A 26 0.446 -1.369 6.568 1.00 0.00 C ATOM 356 O ARG A 26 1.369 -1.964 7.123 1.00 0.00 O ATOM 357 CB ARG A 26 -1.511 -0.731 8.016 1.00 0.00 C ATOM 358 CG ARG A 26 -2.232 -1.873 7.324 1.00 0.00 C ATOM 359 CD ARG A 26 -3.543 -2.185 8.018 1.00 0.00 C ATOM 360 NE ARG A 26 -4.222 -3.335 7.426 1.00 0.00 N ATOM 361 CZ ARG A 26 -5.455 -3.708 7.752 1.00 0.00 C ATOM 362 NH1 ARG A 26 -6.146 -3.017 8.646 1.00 0.00 N ATOM 363 NH2 ARG A 26 -5.999 -4.774 7.180 1.00 0.00 N ATOM 0 H ARG A 26 -1.635 0.924 6.147 1.00 0.00 H new ATOM 0 HA ARG A 26 0.407 0.218 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.211 -1.057 9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.208 0.096 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.420 -1.612 6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.598 -2.760 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.355 -2.380 9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.196 -1.314 7.966 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.722 -3.881 6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.732 -2.196 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.092 -3.306 8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.471 -5.308 6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.945 -5.060 7.431 1.00 0.00 H new ATOM 377 N ALA A 27 0.019 -1.677 5.345 1.00 0.00 N ATOM 378 CA ALA A 27 0.635 -2.750 4.574 1.00 0.00 C ATOM 379 C ALA A 27 2.029 -2.347 4.113 1.00 0.00 C ATOM 380 O ALA A 27 2.913 -3.191 3.957 1.00 0.00 O ATOM 381 CB ALA A 27 -0.231 -3.115 3.378 1.00 0.00 C ATOM 0 H ALA A 27 -0.748 -1.200 4.870 1.00 0.00 H new ATOM 0 HA ALA A 27 0.723 -3.625 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.246 -3.918 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.210 -3.447 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.350 -2.243 2.736 1.00 0.00 H new ATOM 387 N LEU A 28 2.216 -1.049 3.899 1.00 0.00 N ATOM 388 CA LEU A 28 3.500 -0.522 3.462 1.00 0.00 C ATOM 389 C LEU A 28 4.491 -0.489 4.617 1.00 0.00 C ATOM 390 O LEU A 28 5.673 -0.786 4.443 1.00 0.00 O ATOM 391 CB LEU A 28 3.328 0.885 2.887 1.00 0.00 C ATOM 392 CG LEU A 28 2.813 0.942 1.450 1.00 0.00 C ATOM 393 CD1 LEU A 28 2.407 2.361 1.094 1.00 0.00 C ATOM 394 CD2 LEU A 28 3.876 0.434 0.489 1.00 0.00 C ATOM 0 H LEU A 28 1.491 -0.342 4.022 1.00 0.00 H new ATOM 0 HA LEU A 28 3.891 -1.180 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.640 1.439 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.288 1.399 2.932 1.00 0.00 H new ATOM 0 HG LEU A 28 1.936 0.300 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.042 2.388 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.618 2.694 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.269 3.021 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.496 0.480 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.768 1.055 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.127 -0.597 0.736 1.00 0.00 H new ATOM 406 N GLU A 29 3.998 -0.131 5.796 1.00 0.00 N ATOM 407 CA GLU A 29 4.836 -0.054 6.985 1.00 0.00 C ATOM 408 C GLU A 29 5.354 -1.434 7.378 1.00 0.00 C ATOM 409 O GLU A 29 6.554 -1.623 7.580 1.00 0.00 O ATOM 410 CB GLU A 29 4.052 0.564 8.144 1.00 0.00 C ATOM 411 CG GLU A 29 4.853 0.676 9.432 1.00 0.00 C ATOM 412 CD GLU A 29 6.118 1.493 9.263 1.00 0.00 C ATOM 413 OE1 GLU A 29 6.046 2.734 9.395 1.00 0.00 O ATOM 414 OE2 GLU A 29 7.182 0.894 8.996 1.00 0.00 O ATOM 0 H GLU A 29 3.020 0.111 5.954 1.00 0.00 H new ATOM 0 HA GLU A 29 5.693 0.580 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.710 1.557 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.162 -0.037 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.232 1.131 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.114 -0.323 9.781 1.00 0.00 H new ATOM 421 N ILE A 30 4.440 -2.396 7.486 1.00 0.00 N ATOM 422 CA ILE A 30 4.802 -3.761 7.856 1.00 0.00 C ATOM 423 C ILE A 30 5.853 -4.327 6.907 1.00 0.00 C ATOM 424 O ILE A 30 6.867 -4.873 7.344 1.00 0.00 O ATOM 425 CB ILE A 30 3.569 -4.686 7.862 1.00 0.00 C ATOM 426 CG1 ILE A 30 2.554 -4.197 8.896 1.00 0.00 C ATOM 427 CG2 ILE A 30 3.985 -6.119 8.156 1.00 0.00 C ATOM 428 CD1 ILE A 30 1.240 -4.952 8.867 1.00 0.00 C ATOM 0 H ILE A 30 3.443 -2.255 7.322 1.00 0.00 H new ATOM 0 HA ILE A 30 5.216 -3.719 8.863 1.00 0.00 H new ATOM 0 HB ILE A 30 3.103 -4.661 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.991 -4.285 9.891 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.358 -3.138 8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.104 -6.761 8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.681 -6.460 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.468 -6.165 9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.572 -4.549 9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.779 -4.843 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.423 -6.008 9.067 1.00 0.00 H new ATOM 440 N ALA A 31 5.607 -4.192 5.607 1.00 0.00 N ATOM 441 CA ALA A 31 6.532 -4.692 4.600 1.00 0.00 C ATOM 442 C ALA A 31 7.636 -3.680 4.312 1.00 0.00 C ATOM 443 O ALA A 31 8.161 -3.621 3.199 1.00 0.00 O ATOM 444 CB ALA A 31 5.783 -5.037 3.322 1.00 0.00 C ATOM 0 H ALA A 31 4.775 -3.740 5.228 1.00 0.00 H new ATOM 0 HA ALA A 31 7.000 -5.596 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.486 -5.410 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.038 -5.804 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.287 -4.145 2.939 1.00 0.00 H new ATOM 450 N GLN A 32 7.981 -2.886 5.325 1.00 0.00 N ATOM 451 CA GLN A 32 9.023 -1.868 5.198 1.00 0.00 C ATOM 452 C GLN A 32 8.617 -0.787 4.199 1.00 0.00 C ATOM 453 O GLN A 32 8.108 0.266 4.584 1.00 0.00 O ATOM 454 CB GLN A 32 10.351 -2.507 4.781 1.00 0.00 C ATOM 455 CG GLN A 32 10.743 -3.701 5.636 1.00 0.00 C ATOM 456 CD GLN A 32 12.094 -4.274 5.256 1.00 0.00 C ATOM 457 OE1 GLN A 32 12.189 -5.157 4.404 1.00 0.00 O ATOM 458 NE2 GLN A 32 13.149 -3.774 5.890 1.00 0.00 N ATOM 0 H GLN A 32 7.551 -2.929 6.249 1.00 0.00 H new ATOM 0 HA GLN A 32 9.152 -1.397 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.282 -2.822 3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.139 -1.756 4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.762 -3.402 6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.984 -4.477 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.024 -3.042 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.084 -4.122 5.677 1.00 0.00 H new ATOM 467 N ASN A 33 8.845 -1.051 2.915 1.00 0.00 N ATOM 468 CA ASN A 33 8.496 -0.101 1.862 1.00 0.00 C ATOM 469 C ASN A 33 8.178 -0.830 0.560 1.00 0.00 C ATOM 470 O ASN A 33 8.296 -0.262 -0.525 1.00 0.00 O ATOM 471 CB ASN A 33 9.639 0.892 1.633 1.00 0.00 C ATOM 472 CG ASN A 33 9.953 1.717 2.867 1.00 0.00 C ATOM 473 OD1 ASN A 33 9.387 2.792 3.070 1.00 0.00 O ATOM 474 ND2 ASN A 33 10.860 1.217 3.696 1.00 0.00 N ATOM 0 H ASN A 33 9.270 -1.915 2.578 1.00 0.00 H new ATOM 0 HA ASN A 33 7.610 0.446 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.533 0.347 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.376 1.559 0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.114 1.727 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.303 0.322 3.487 1.00 0.00 H new ATOM 481 N ASN A 34 7.770 -2.090 0.678 1.00 0.00 N ATOM 482 CA ASN A 34 7.438 -2.900 -0.488 1.00 0.00 C ATOM 483 C ASN A 34 5.957 -2.784 -0.836 1.00 0.00 C ATOM 484 O ASN A 34 5.090 -3.007 0.011 1.00 0.00 O ATOM 485 CB ASN A 34 7.797 -4.363 -0.237 1.00 0.00 C ATOM 486 CG ASN A 34 9.275 -4.562 0.038 1.00 0.00 C ATOM 487 OD1 ASN A 34 10.116 -3.811 -0.454 1.00 0.00 O ATOM 488 ND2 ASN A 34 9.598 -5.581 0.827 1.00 0.00 N ATOM 0 H ASN A 34 7.661 -2.572 1.570 1.00 0.00 H new ATOM 0 HA ASN A 34 8.020 -2.526 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.220 -4.735 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.509 -4.958 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.577 -5.766 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.867 -6.178 1.213 1.00 0.00 H new ATOM 495 N VAL A 35 5.676 -2.436 -2.088 1.00 0.00 N ATOM 496 CA VAL A 35 4.301 -2.293 -2.557 1.00 0.00 C ATOM 497 C VAL A 35 3.772 -3.608 -3.120 1.00 0.00 C ATOM 498 O VAL A 35 2.623 -3.973 -2.881 1.00 0.00 O ATOM 499 CB VAL A 35 4.170 -1.178 -3.624 1.00 0.00 C ATOM 500 CG1 VAL A 35 5.483 -0.973 -4.358 1.00 0.00 C ATOM 501 CG2 VAL A 35 3.055 -1.489 -4.611 1.00 0.00 C ATOM 0 H VAL A 35 6.384 -2.247 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 35 3.701 -2.011 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 35 3.916 -0.254 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.365 -0.185 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.257 -0.687 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.771 -1.900 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.987 -0.688 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.269 -2.430 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.109 -1.571 -4.077 1.00 0.00 H new ATOM 511 N GLU A 36 4.613 -4.311 -3.869 1.00 0.00 N ATOM 512 CA GLU A 36 4.226 -5.588 -4.463 1.00 0.00 C ATOM 513 C GLU A 36 3.700 -6.545 -3.400 1.00 0.00 C ATOM 514 O GLU A 36 2.601 -7.087 -3.529 1.00 0.00 O ATOM 515 CB GLU A 36 5.418 -6.209 -5.192 1.00 0.00 C ATOM 516 CG GLU A 36 6.721 -6.097 -4.421 1.00 0.00 C ATOM 517 CD GLU A 36 7.910 -6.619 -5.205 1.00 0.00 C ATOM 518 OE1 GLU A 36 8.512 -5.831 -5.965 1.00 0.00 O ATOM 519 OE2 GLU A 36 8.241 -7.814 -5.057 1.00 0.00 O ATOM 0 H GLU A 36 5.567 -4.020 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 36 3.426 -5.405 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.208 -7.261 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.535 -5.724 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.894 -5.054 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.635 -6.652 -3.487 1.00 0.00 H new ATOM 526 N VAL A 37 4.489 -6.751 -2.350 1.00 0.00 N ATOM 527 CA VAL A 37 4.090 -7.633 -1.262 1.00 0.00 C ATOM 528 C VAL A 37 2.828 -7.102 -0.593 1.00 0.00 C ATOM 529 O VAL A 37 1.891 -7.854 -0.308 1.00 0.00 O ATOM 530 CB VAL A 37 5.203 -7.764 -0.205 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.836 -8.816 0.831 1.00 0.00 C ATOM 532 CG2 VAL A 37 6.531 -8.096 -0.866 1.00 0.00 C ATOM 0 H VAL A 37 5.406 -6.320 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 37 3.899 -8.617 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 37 5.308 -6.807 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.634 -8.894 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.909 -8.529 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.701 -9.779 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.305 -8.185 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.443 -9.039 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.798 -7.303 -1.564 1.00 0.00 H new ATOM 542 N ALA A 38 2.814 -5.796 -0.352 1.00 0.00 N ATOM 543 CA ALA A 38 1.675 -5.145 0.272 1.00 0.00 C ATOM 544 C ALA A 38 0.431 -5.311 -0.587 1.00 0.00 C ATOM 545 O ALA A 38 -0.684 -5.348 -0.074 1.00 0.00 O ATOM 546 CB ALA A 38 1.975 -3.672 0.496 1.00 0.00 C ATOM 0 H ALA A 38 3.584 -5.167 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 38 1.489 -5.615 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.115 -3.193 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.844 -3.572 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.181 -3.193 -0.461 1.00 0.00 H new ATOM 552 N ARG A 39 0.633 -5.417 -1.897 1.00 0.00 N ATOM 553 CA ARG A 39 -0.470 -5.588 -2.834 1.00 0.00 C ATOM 554 C ARG A 39 -1.060 -6.985 -2.713 1.00 0.00 C ATOM 555 O ARG A 39 -2.276 -7.164 -2.780 1.00 0.00 O ATOM 556 CB ARG A 39 -0.002 -5.343 -4.271 1.00 0.00 C ATOM 557 CG ARG A 39 0.107 -3.873 -4.637 1.00 0.00 C ATOM 558 CD ARG A 39 0.634 -3.699 -6.047 1.00 0.00 C ATOM 559 NE ARG A 39 -0.258 -4.288 -7.043 1.00 0.00 N ATOM 560 CZ ARG A 39 -0.006 -4.290 -8.349 1.00 0.00 C ATOM 561 NH1 ARG A 39 1.102 -3.730 -8.816 1.00 0.00 N ATOM 562 NH2 ARG A 39 -0.864 -4.852 -9.191 1.00 0.00 N ATOM 0 H ARG A 39 1.554 -5.387 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.240 -4.857 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.970 -5.816 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.696 -5.828 -4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.871 -3.400 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.769 -3.368 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.761 -2.637 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.619 -4.160 -6.125 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.122 -4.722 -6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.764 -3.296 -8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.292 -3.733 -9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.718 -5.283 -8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.670 -4.853 -10.192 1.00 0.00 H new ATOM 576 N SER A 40 -0.188 -7.974 -2.537 1.00 0.00 N ATOM 577 CA SER A 40 -0.623 -9.357 -2.397 1.00 0.00 C ATOM 578 C SER A 40 -1.549 -9.500 -1.197 1.00 0.00 C ATOM 579 O SER A 40 -2.588 -10.156 -1.276 1.00 0.00 O ATOM 580 CB SER A 40 0.584 -10.285 -2.243 1.00 0.00 C ATOM 581 OG SER A 40 0.175 -11.634 -2.095 1.00 0.00 O ATOM 0 H SER A 40 0.822 -7.842 -2.488 1.00 0.00 H new ATOM 0 HA SER A 40 -1.168 -9.640 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.232 -10.192 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.171 -9.982 -1.376 1.00 0.00 H new ATOM 0 HG SER A 40 0.965 -12.207 -2.000 1.00 0.00 H new ATOM 587 N ILE A 41 -1.165 -8.878 -0.084 1.00 0.00 N ATOM 588 CA ILE A 41 -1.970 -8.928 1.131 1.00 0.00 C ATOM 589 C ILE A 41 -3.142 -7.950 1.054 1.00 0.00 C ATOM 590 O ILE A 41 -4.178 -8.161 1.685 1.00 0.00 O ATOM 591 CB ILE A 41 -1.128 -8.611 2.383 1.00 0.00 C ATOM 592 CG1 ILE A 41 -0.434 -7.256 2.234 1.00 0.00 C ATOM 593 CG2 ILE A 41 -0.109 -9.715 2.627 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.253 -6.783 3.498 1.00 0.00 C ATOM 0 H ILE A 41 -0.305 -8.336 0.000 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.353 -9.945 1.214 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.792 -8.559 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.302 -7.321 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.170 -6.512 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.479 -9.478 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.627 -10.662 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.553 -9.797 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.723 -5.816 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.482 -6.685 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.013 -7.507 3.791 1.00 0.00 H new ATOM 606 N LEU A 42 -2.969 -6.881 0.279 1.00 0.00 N ATOM 607 CA LEU A 42 -4.009 -5.871 0.112 1.00 0.00 C ATOM 608 C LEU A 42 -5.282 -6.495 -0.455 1.00 0.00 C ATOM 609 O LEU A 42 -6.392 -6.103 -0.095 1.00 0.00 O ATOM 610 CB LEU A 42 -3.496 -4.759 -0.813 1.00 0.00 C ATOM 611 CG LEU A 42 -4.286 -3.440 -0.812 1.00 0.00 C ATOM 612 CD1 LEU A 42 -5.509 -3.546 -1.707 1.00 0.00 C ATOM 613 CD2 LEU A 42 -4.692 -3.041 0.601 1.00 0.00 C ATOM 0 H LEU A 42 -2.114 -6.693 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.251 -5.445 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.464 -4.538 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.480 -5.145 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.634 -2.661 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.054 -2.602 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.195 -3.768 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.157 -4.344 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.249 -2.105 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.318 -3.821 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.799 -2.911 1.213 1.00 0.00 H new