USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 307 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 1 CYS N :NH3+ -135:sc= -0.569 (180deg=-2.65!) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0155 (180deg=-0.195) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -22.330 8.833 -6.633 1.00 0.00 N ATOM 2 CA CYS A 1 -21.048 9.445 -7.108 1.00 0.00 C ATOM 3 C CYS A 1 -19.846 8.961 -6.284 1.00 0.00 C ATOM 4 O CYS A 1 -18.813 8.658 -6.850 1.00 0.00 O ATOM 5 CB CYS A 1 -21.198 10.963 -6.961 1.00 0.00 C ATOM 6 SG CYS A 1 -22.313 11.602 -8.236 1.00 0.00 S ATOM 0 H1 CYS A 1 -22.885 8.511 -7.451 1.00 0.00 H new ATOM 0 H2 CYS A 1 -22.120 8.022 -6.017 1.00 0.00 H new ATOM 0 H3 CYS A 1 -22.876 9.540 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 1 -20.862 9.155 -8.142 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -21.587 11.204 -5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -20.223 11.443 -7.045 1.00 0.00 H new ATOM 0 HG CYS A 1 -22.435 12.889 -8.101 1.00 0.00 H new ATOM 14 N ALA A 2 -19.968 8.890 -4.976 1.00 0.00 N ATOM 15 CA ALA A 2 -18.828 8.428 -4.121 1.00 0.00 C ATOM 16 C ALA A 2 -18.775 6.897 -4.035 1.00 0.00 C ATOM 17 O ALA A 2 -19.673 6.230 -4.515 1.00 0.00 O ATOM 18 CB ALA A 2 -19.052 9.051 -2.740 1.00 0.00 C ATOM 0 H ALA A 2 -20.815 9.134 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.873 8.737 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.248 8.748 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.061 10.137 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.007 8.711 -2.338 1.00 0.00 H new ATOM 24 N VAL A 3 -17.724 6.364 -3.434 1.00 0.00 N ATOM 25 CA VAL A 3 -17.487 4.883 -3.254 1.00 0.00 C ATOM 26 C VAL A 3 -17.707 4.035 -4.524 1.00 0.00 C ATOM 27 O VAL A 3 -17.868 2.830 -4.426 1.00 0.00 O ATOM 28 CB VAL A 3 -18.401 4.389 -2.115 1.00 0.00 C ATOM 29 CG1 VAL A 3 -18.371 5.333 -0.908 1.00 0.00 C ATOM 30 CG2 VAL A 3 -19.854 4.226 -2.583 1.00 0.00 C ATOM 0 H VAL A 3 -16.977 6.935 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 3 -16.432 4.753 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 3 -18.010 3.417 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -19.028 4.948 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.353 5.400 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.710 6.323 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -20.467 3.876 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -20.233 5.186 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -19.895 3.500 -3.395 1.00 0.00 H new ATOM 40 N GLU A 4 -17.727 4.639 -5.692 1.00 0.00 N ATOM 41 CA GLU A 4 -17.948 3.914 -6.985 1.00 0.00 C ATOM 42 C GLU A 4 -19.319 3.216 -7.015 1.00 0.00 C ATOM 43 O GLU A 4 -19.523 2.306 -7.799 1.00 0.00 O ATOM 44 CB GLU A 4 -16.793 2.913 -7.143 1.00 0.00 C ATOM 45 CG GLU A 4 -16.062 3.163 -8.466 1.00 0.00 C ATOM 46 CD GLU A 4 -14.949 4.198 -8.260 1.00 0.00 C ATOM 47 OE1 GLU A 4 -15.268 5.369 -8.121 1.00 0.00 O ATOM 48 OE2 GLU A 4 -13.797 3.801 -8.242 1.00 0.00 O ATOM 0 H GLU A 4 -17.594 5.644 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.957 4.615 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.098 3.012 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.178 1.894 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.639 2.231 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.766 3.518 -9.219 1.00 0.00 H new ATOM 55 N LEU A 5 -20.252 3.629 -6.176 1.00 0.00 N ATOM 56 CA LEU A 5 -21.628 3.032 -6.098 1.00 0.00 C ATOM 57 C LEU A 5 -21.622 1.508 -5.835 1.00 0.00 C ATOM 58 O LEU A 5 -22.662 0.878 -5.917 1.00 0.00 O ATOM 59 CB LEU A 5 -22.333 3.396 -7.419 1.00 0.00 C ATOM 60 CG LEU A 5 -22.681 4.895 -7.513 1.00 0.00 C ATOM 61 CD1 LEU A 5 -23.336 5.405 -6.224 1.00 0.00 C ATOM 62 CD2 LEU A 5 -21.426 5.727 -7.803 1.00 0.00 C ATOM 0 H LEU A 5 -20.103 4.391 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 5 -22.164 3.440 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.691 3.123 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -23.246 2.808 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 5 -23.391 5.007 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -23.567 6.465 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -24.256 4.850 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -22.652 5.263 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -21.695 6.781 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.701 5.584 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.988 5.408 -8.749 1.00 0.00 H new ATOM 74 N ARG A 6 -20.482 0.918 -5.518 1.00 0.00 N ATOM 75 CA ARG A 6 -20.357 -0.551 -5.239 1.00 0.00 C ATOM 76 C ARG A 6 -18.909 -0.897 -4.823 1.00 0.00 C ATOM 77 O ARG A 6 -18.386 -1.929 -5.200 1.00 0.00 O ATOM 78 CB ARG A 6 -20.722 -1.250 -6.556 1.00 0.00 C ATOM 79 CG ARG A 6 -21.291 -2.647 -6.281 1.00 0.00 C ATOM 80 CD ARG A 6 -22.807 -2.659 -6.510 1.00 0.00 C ATOM 81 NE ARG A 6 -23.429 -2.714 -5.152 1.00 0.00 N ATOM 82 CZ ARG A 6 -23.919 -1.633 -4.601 1.00 0.00 C ATOM 83 NH1 ARG A 6 -24.933 -1.018 -5.157 1.00 0.00 N ATOM 84 NH2 ARG A 6 -23.394 -1.180 -3.492 1.00 0.00 N ATOM 0 H ARG A 6 -19.599 1.423 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 6 -21.006 -0.867 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -21.454 -0.653 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -19.839 -1.329 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.812 -3.377 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.069 -2.942 -5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -23.127 -1.768 -7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -23.104 -3.519 -7.110 1.00 0.00 H new ATOM 0 HE ARG A 6 -23.472 -3.601 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -25.340 -1.382 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -25.316 -0.175 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.608 -1.669 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -23.770 -0.338 -3.056 1.00 0.00 H new ATOM 98 N SER A 7 -18.255 -0.055 -4.053 1.00 0.00 N ATOM 99 CA SER A 7 -16.847 -0.320 -3.609 1.00 0.00 C ATOM 100 C SER A 7 -16.633 0.150 -2.162 1.00 0.00 C ATOM 101 O SER A 7 -17.404 0.957 -1.670 1.00 0.00 O ATOM 102 CB SER A 7 -15.967 0.473 -4.582 1.00 0.00 C ATOM 103 OG SER A 7 -15.008 -0.400 -5.166 1.00 0.00 O ATOM 0 H SER A 7 -18.647 0.821 -3.708 1.00 0.00 H new ATOM 0 HA SER A 7 -16.607 -1.383 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.582 0.928 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.464 1.285 -4.057 1.00 0.00 H new ATOM 0 HG SER A 7 -14.445 0.103 -5.790 1.00 0.00 H new ATOM 109 N PRO A 8 -15.601 -0.360 -1.521 1.00 0.00 N ATOM 110 CA PRO A 8 -15.289 0.021 -0.109 1.00 0.00 C ATOM 111 C PRO A 8 -14.540 1.367 -0.018 1.00 0.00 C ATOM 112 O PRO A 8 -13.530 1.471 0.659 1.00 0.00 O ATOM 113 CB PRO A 8 -14.439 -1.158 0.376 1.00 0.00 C ATOM 114 CG PRO A 8 -13.820 -1.759 -0.841 1.00 0.00 C ATOM 115 CD PRO A 8 -14.623 -1.335 -2.037 1.00 0.00 C ATOM 0 HA PRO A 8 -16.179 0.184 0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.674 -0.823 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.053 -1.890 0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.786 -1.431 -0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.803 -2.846 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.986 -0.888 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.122 -2.187 -2.498 1.00 0.00 H new ATOM 123 N GLY A 9 -15.030 2.388 -0.692 1.00 0.00 N ATOM 124 CA GLY A 9 -14.392 3.744 -0.685 1.00 0.00 C ATOM 125 C GLY A 9 -12.919 3.665 -1.108 1.00 0.00 C ATOM 126 O GLY A 9 -12.100 4.394 -0.582 1.00 0.00 O ATOM 0 H GLY A 9 -15.873 2.331 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.932 4.407 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.464 4.178 0.312 1.00 0.00 H new ATOM 130 N ILE A 10 -12.590 2.788 -2.035 1.00 0.00 N ATOM 131 CA ILE A 10 -11.192 2.602 -2.529 1.00 0.00 C ATOM 132 C ILE A 10 -10.322 2.169 -1.346 1.00 0.00 C ATOM 133 O ILE A 10 -9.754 2.958 -0.614 1.00 0.00 O ATOM 134 CB ILE A 10 -10.752 3.906 -3.231 1.00 0.00 C ATOM 135 CG1 ILE A 10 -11.131 3.870 -4.721 1.00 0.00 C ATOM 136 CG2 ILE A 10 -9.232 4.078 -3.156 1.00 0.00 C ATOM 137 CD1 ILE A 10 -12.476 3.177 -4.952 1.00 0.00 C ATOM 0 H ILE A 10 -13.267 2.171 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.097 1.813 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.255 4.729 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.176 4.888 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.354 3.350 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.945 5.003 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.922 4.119 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.746 3.234 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.705 3.174 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.424 2.151 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.258 3.713 -4.414 1.00 0.00 H new ATOM 149 N SER A 11 -10.244 0.878 -1.189 1.00 0.00 N ATOM 150 CA SER A 11 -9.443 0.266 -0.090 1.00 0.00 C ATOM 151 C SER A 11 -8.873 -1.075 -0.568 1.00 0.00 C ATOM 152 O SER A 11 -7.674 -1.276 -0.525 1.00 0.00 O ATOM 153 CB SER A 11 -10.386 0.130 1.108 1.00 0.00 C ATOM 154 OG SER A 11 -9.717 0.585 2.278 1.00 0.00 O ATOM 0 H SER A 11 -10.714 0.203 -1.792 1.00 0.00 H new ATOM 0 HA SER A 11 -8.586 0.873 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.292 0.713 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.693 -0.909 1.230 1.00 0.00 H new ATOM 0 HG SER A 11 -10.315 0.503 3.050 1.00 0.00 H new ATOM 160 N ARG A 12 -9.718 -1.970 -1.035 1.00 0.00 N ATOM 161 CA ARG A 12 -9.236 -3.296 -1.542 1.00 0.00 C ATOM 162 C ARG A 12 -8.395 -3.071 -2.813 1.00 0.00 C ATOM 163 O ARG A 12 -7.587 -3.908 -3.168 1.00 0.00 O ATOM 164 CB ARG A 12 -10.491 -4.120 -1.862 1.00 0.00 C ATOM 165 CG ARG A 12 -10.187 -5.617 -1.739 1.00 0.00 C ATOM 166 CD ARG A 12 -10.982 -6.399 -2.788 1.00 0.00 C ATOM 167 NE ARG A 12 -10.456 -7.795 -2.736 1.00 0.00 N ATOM 168 CZ ARG A 12 -11.222 -8.798 -3.076 1.00 0.00 C ATOM 169 NH1 ARG A 12 -11.981 -9.367 -2.176 1.00 0.00 N ATOM 170 NH2 ARG A 12 -11.220 -9.219 -4.315 1.00 0.00 N ATOM 0 H ARG A 12 -10.728 -1.835 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.614 -3.814 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.297 -3.848 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.836 -3.893 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.120 -5.792 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.444 -5.968 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.049 -6.374 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.851 -5.968 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.497 -7.967 -2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.973 -9.028 -1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.581 -10.150 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.624 -8.765 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.815 -10.001 -4.589 1.00 0.00 H new ATOM 184 N PHE A 13 -8.586 -1.950 -3.486 1.00 0.00 N ATOM 185 CA PHE A 13 -7.833 -1.608 -4.730 1.00 0.00 C ATOM 186 C PHE A 13 -6.633 -0.707 -4.382 1.00 0.00 C ATOM 187 O PHE A 13 -5.559 -0.921 -4.918 1.00 0.00 O ATOM 188 CB PHE A 13 -8.892 -0.940 -5.634 1.00 0.00 C ATOM 189 CG PHE A 13 -8.362 0.240 -6.421 1.00 0.00 C ATOM 190 CD1 PHE A 13 -7.662 0.042 -7.618 1.00 0.00 C ATOM 191 CD2 PHE A 13 -8.581 1.540 -5.948 1.00 0.00 C ATOM 192 CE1 PHE A 13 -7.182 1.143 -8.337 1.00 0.00 C ATOM 193 CE2 PHE A 13 -8.101 2.639 -6.666 1.00 0.00 C ATOM 194 CZ PHE A 13 -7.401 2.441 -7.861 1.00 0.00 C ATOM 0 H PHE A 13 -9.260 -1.238 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.388 -2.461 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.284 -1.682 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.727 -0.608 -5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.493 -0.959 -7.986 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.122 1.694 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.642 0.991 -9.260 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.270 3.640 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.030 3.290 -8.416 1.00 0.00 H new ATOM 204 N ARG A 14 -6.783 0.275 -3.512 1.00 0.00 N ATOM 205 CA ARG A 14 -5.614 1.155 -3.170 1.00 0.00 C ATOM 206 C ARG A 14 -4.488 0.378 -2.475 1.00 0.00 C ATOM 207 O ARG A 14 -3.345 0.760 -2.605 1.00 0.00 O ATOM 208 CB ARG A 14 -6.088 2.333 -2.300 1.00 0.00 C ATOM 209 CG ARG A 14 -6.890 1.890 -1.070 1.00 0.00 C ATOM 210 CD ARG A 14 -5.977 1.523 0.106 1.00 0.00 C ATOM 211 NE ARG A 14 -5.992 2.709 1.010 1.00 0.00 N ATOM 212 CZ ARG A 14 -5.021 3.584 0.965 1.00 0.00 C ATOM 213 NH1 ARG A 14 -3.948 3.404 1.692 1.00 0.00 N ATOM 214 NH2 ARG A 14 -5.146 4.628 0.187 1.00 0.00 N ATOM 0 H ARG A 14 -7.654 0.501 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.199 1.540 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.221 2.907 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.702 3.000 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.565 2.691 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.509 1.032 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.339 0.633 0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.966 1.304 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.762 2.838 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.870 2.583 2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.189 4.085 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.991 4.749 -0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.399 5.321 0.139 1.00 0.00 H new ATOM 228 N ARG A 15 -4.783 -0.684 -1.756 1.00 0.00 N ATOM 229 CA ARG A 15 -3.710 -1.472 -1.065 1.00 0.00 C ATOM 230 C ARG A 15 -2.712 -2.037 -2.091 1.00 0.00 C ATOM 231 O ARG A 15 -1.518 -2.020 -1.848 1.00 0.00 O ATOM 232 CB ARG A 15 -4.419 -2.602 -0.309 1.00 0.00 C ATOM 233 CG ARG A 15 -3.480 -3.173 0.758 1.00 0.00 C ATOM 234 CD ARG A 15 -4.277 -3.621 1.989 1.00 0.00 C ATOM 235 NE ARG A 15 -3.462 -3.200 3.167 1.00 0.00 N ATOM 236 CZ ARG A 15 -2.570 -4.009 3.676 1.00 0.00 C ATOM 237 NH1 ARG A 15 -1.370 -4.052 3.155 1.00 0.00 N ATOM 238 NH2 ARG A 15 -2.885 -4.765 4.697 1.00 0.00 N ATOM 0 H ARG A 15 -5.729 -1.040 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.138 -0.847 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.330 -2.226 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.717 -3.387 -1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.926 -4.018 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.747 -2.420 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.263 -3.157 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.432 -4.700 1.985 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.602 -2.276 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.138 -3.458 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.667 -4.680 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.824 -4.722 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.192 -5.397 5.097 1.00 0.00 H new ATOM 252 N LYS A 16 -3.184 -2.522 -3.219 1.00 0.00 N ATOM 253 CA LYS A 16 -2.260 -3.080 -4.260 1.00 0.00 C ATOM 254 C LYS A 16 -1.440 -1.936 -4.872 1.00 0.00 C ATOM 255 O LYS A 16 -0.231 -2.033 -4.975 1.00 0.00 O ATOM 256 CB LYS A 16 -3.153 -3.772 -5.299 1.00 0.00 C ATOM 257 CG LYS A 16 -2.320 -4.711 -6.178 1.00 0.00 C ATOM 258 CD LYS A 16 -1.974 -4.024 -7.504 1.00 0.00 C ATOM 259 CE LYS A 16 -0.452 -3.906 -7.666 1.00 0.00 C ATOM 260 NZ LYS A 16 0.057 -5.269 -8.005 1.00 0.00 N ATOM 0 H LYS A 16 -4.174 -2.555 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.547 -3.796 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.938 -4.336 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.646 -3.024 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.405 -4.994 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.875 -5.630 -6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.391 -4.593 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.427 -3.033 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.202 -3.194 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.007 -3.540 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.090 -5.234 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.181 -5.929 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.383 -5.594 -8.890 1.00 0.00 H new ATOM 274 N ILE A 17 -2.086 -0.862 -5.264 1.00 0.00 N ATOM 275 CA ILE A 17 -1.352 0.303 -5.856 1.00 0.00 C ATOM 276 C ILE A 17 -0.375 0.843 -4.795 1.00 0.00 C ATOM 277 O ILE A 17 0.707 1.290 -5.125 1.00 0.00 O ATOM 278 CB ILE A 17 -2.439 1.316 -6.266 1.00 0.00 C ATOM 279 CG1 ILE A 17 -2.987 0.943 -7.650 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.881 2.742 -6.341 1.00 0.00 C ATOM 281 CD1 ILE A 17 -4.206 0.029 -7.513 1.00 0.00 C ATOM 0 H ILE A 17 -3.097 -0.742 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.752 0.056 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.224 1.283 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.261 1.846 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.213 0.443 -8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.676 3.429 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.491 3.032 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.079 2.781 -7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.583 -0.226 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.920 -0.882 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.985 0.543 -6.950 1.00 0.00 H new ATOM 293 N ALA A 18 -0.753 0.791 -3.535 1.00 0.00 N ATOM 294 CA ALA A 18 0.131 1.280 -2.435 1.00 0.00 C ATOM 295 C ALA A 18 1.281 0.291 -2.210 1.00 0.00 C ATOM 296 O ALA A 18 2.400 0.732 -2.042 1.00 0.00 O ATOM 297 CB ALA A 18 -0.748 1.401 -1.187 1.00 0.00 C ATOM 0 H ALA A 18 -1.652 0.424 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 18 0.580 2.243 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.146 1.757 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.556 2.107 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.169 0.426 -0.942 1.00 0.00 H new ATOM 303 N LYS A 19 1.040 -1.009 -2.210 1.00 0.00 N ATOM 304 CA LYS A 19 2.163 -1.982 -1.998 1.00 0.00 C ATOM 305 C LYS A 19 3.236 -1.852 -3.097 1.00 0.00 C ATOM 306 O LYS A 19 4.371 -2.237 -2.887 1.00 0.00 O ATOM 307 CB LYS A 19 1.543 -3.390 -1.910 1.00 0.00 C ATOM 308 CG LYS A 19 1.231 -4.008 -3.282 1.00 0.00 C ATOM 309 CD LYS A 19 1.814 -5.426 -3.376 1.00 0.00 C ATOM 310 CE LYS A 19 0.772 -6.463 -2.934 1.00 0.00 C ATOM 311 NZ LYS A 19 1.304 -7.796 -3.347 1.00 0.00 N ATOM 0 H LYS A 19 0.121 -1.430 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 19 2.693 -1.771 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.226 -4.046 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.624 -3.338 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.152 -4.040 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.648 -3.384 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.128 -5.630 -4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.702 -5.503 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.618 -6.423 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.193 -6.268 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.632 -8.539 -3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.433 -7.814 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.218 -7.964 -2.881 1.00 0.00 H new ATOM 325 N ARG A 20 2.889 -1.308 -4.246 1.00 0.00 N ATOM 326 CA ARG A 20 3.865 -1.128 -5.368 1.00 0.00 C ATOM 327 C ARG A 20 4.678 0.159 -5.155 1.00 0.00 C ATOM 328 O ARG A 20 5.820 0.219 -5.571 1.00 0.00 O ATOM 329 CB ARG A 20 3.021 -1.042 -6.647 1.00 0.00 C ATOM 330 CG ARG A 20 3.762 -1.681 -7.827 1.00 0.00 C ATOM 331 CD ARG A 20 3.055 -1.304 -9.136 1.00 0.00 C ATOM 332 NE ARG A 20 4.085 -0.653 -9.998 1.00 0.00 N ATOM 333 CZ ARG A 20 4.320 0.632 -9.906 1.00 0.00 C ATOM 334 NH1 ARG A 20 3.387 1.495 -10.218 1.00 0.00 N ATOM 335 NH2 ARG A 20 5.494 1.039 -9.501 1.00 0.00 N ATOM 0 H ARG A 20 1.947 -0.975 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 20 4.579 -1.949 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.067 -1.546 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.798 0.001 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.797 -1.340 -7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.786 -2.765 -7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.643 -2.188 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.222 -0.627 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 20 4.612 -1.215 -10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.474 1.167 -10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.573 2.495 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.215 0.358 -9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.689 2.037 -9.425 1.00 0.00 H new ATOM 349 N SER A 21 4.120 1.170 -4.521 1.00 0.00 N ATOM 350 CA SER A 21 4.878 2.441 -4.286 1.00 0.00 C ATOM 351 C SER A 21 5.512 2.446 -2.886 1.00 0.00 C ATOM 352 O SER A 21 6.598 2.972 -2.718 1.00 0.00 O ATOM 353 CB SER A 21 3.872 3.584 -4.443 1.00 0.00 C ATOM 354 OG SER A 21 4.134 4.236 -5.680 1.00 0.00 O ATOM 0 H SER A 21 3.168 1.166 -4.156 1.00 0.00 H new ATOM 0 HA SER A 21 5.697 2.548 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.852 3.199 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.963 4.287 -3.615 1.00 0.00 H new ATOM 0 HG SER A 21 3.499 4.972 -5.803 1.00 0.00 H new ATOM 360 N ILE A 22 4.853 1.868 -1.900 1.00 0.00 N ATOM 361 CA ILE A 22 5.397 1.820 -0.501 1.00 0.00 C ATOM 362 C ILE A 22 6.803 1.194 -0.489 1.00 0.00 C ATOM 363 O ILE A 22 7.624 1.610 0.306 1.00 0.00 O ATOM 364 CB ILE A 22 4.383 1.013 0.336 1.00 0.00 C ATOM 365 CG1 ILE A 22 3.174 1.904 0.659 1.00 0.00 C ATOM 366 CG2 ILE A 22 5.004 0.524 1.652 1.00 0.00 C ATOM 367 CD1 ILE A 22 2.010 1.061 1.186 1.00 0.00 C ATOM 0 H ILE A 22 3.944 1.420 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 22 5.515 2.817 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 22 4.078 0.143 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.454 2.652 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.864 2.444 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.262 -0.041 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.859 -0.116 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.332 1.381 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.163 1.710 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.719 0.331 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.318 0.542 2.093 1.00 0.00 H new ATOM 379 N LYS A 23 7.082 0.229 -1.344 1.00 0.00 N ATOM 380 CA LYS A 23 8.439 -0.411 -1.381 1.00 0.00 C ATOM 381 C LYS A 23 9.502 0.659 -1.662 1.00 0.00 C ATOM 382 O LYS A 23 10.426 0.797 -0.882 1.00 0.00 O ATOM 383 CB LYS A 23 8.403 -1.477 -2.484 1.00 0.00 C ATOM 384 CG LYS A 23 7.826 -2.781 -1.922 1.00 0.00 C ATOM 385 CD LYS A 23 7.768 -3.843 -3.027 1.00 0.00 C ATOM 386 CE LYS A 23 6.809 -4.973 -2.628 1.00 0.00 C ATOM 387 NZ LYS A 23 7.635 -5.993 -1.914 1.00 0.00 N ATOM 0 H LYS A 23 6.418 -0.144 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 23 8.694 -0.877 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.796 -1.129 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.408 -1.649 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.442 -3.136 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.828 -2.605 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.437 -3.389 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.764 -4.248 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.013 -4.598 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.331 -5.406 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.030 -6.786 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.380 -6.343 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.071 -5.561 -1.075 1.00 0.00 H new ATOM 401 N THR A 24 9.383 1.418 -2.733 1.00 0.00 N ATOM 402 CA THR A 24 10.401 2.485 -3.016 1.00 0.00 C ATOM 403 C THR A 24 10.322 3.549 -1.901 1.00 0.00 C ATOM 404 O THR A 24 11.313 4.185 -1.590 1.00 0.00 O ATOM 405 CB THR A 24 10.079 3.069 -4.401 1.00 0.00 C ATOM 406 OG1 THR A 24 10.228 2.057 -5.394 1.00 0.00 O ATOM 407 CG2 THR A 24 11.023 4.233 -4.722 1.00 0.00 C ATOM 0 H THR A 24 8.630 1.344 -3.417 1.00 0.00 H new ATOM 0 HA THR A 24 11.419 2.096 -3.027 1.00 0.00 H new ATOM 0 HB THR A 24 9.052 3.434 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.021 2.431 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.782 4.636 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.905 5.014 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.053 3.878 -4.718 1.00 0.00 H new ATOM 415 N LEU A 25 9.162 3.727 -1.296 1.00 0.00 N ATOM 416 CA LEU A 25 8.972 4.718 -0.186 1.00 0.00 C ATOM 417 C LEU A 25 9.601 4.202 1.126 1.00 0.00 C ATOM 418 O LEU A 25 9.697 4.949 2.082 1.00 0.00 O ATOM 419 CB LEU A 25 7.456 4.885 -0.013 1.00 0.00 C ATOM 420 CG LEU A 25 7.032 6.294 -0.442 1.00 0.00 C ATOM 421 CD1 LEU A 25 6.971 6.378 -1.970 1.00 0.00 C ATOM 422 CD2 LEU A 25 5.650 6.610 0.139 1.00 0.00 C ATOM 0 H LEU A 25 8.317 3.208 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 25 9.457 5.665 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.929 4.140 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.179 4.714 1.027 1.00 0.00 H new ATOM 0 HG LEU A 25 7.761 7.015 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.669 7.382 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.954 6.156 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.247 5.655 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.348 7.612 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.925 5.884 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.692 6.559 1.227 1.00 0.00 H new ATOM 434 N GLU A 26 10.022 2.955 1.173 1.00 0.00 N ATOM 435 CA GLU A 26 10.649 2.355 2.388 1.00 0.00 C ATOM 436 C GLU A 26 12.128 2.071 2.080 1.00 0.00 C ATOM 437 O GLU A 26 13.011 2.529 2.781 1.00 0.00 O ATOM 438 CB GLU A 26 9.908 1.031 2.639 1.00 0.00 C ATOM 439 CG GLU A 26 8.568 1.254 3.352 1.00 0.00 C ATOM 440 CD GLU A 26 7.911 -0.088 3.713 1.00 0.00 C ATOM 441 OE1 GLU A 26 7.777 -0.947 2.850 1.00 0.00 O ATOM 442 OE2 GLU A 26 7.544 -0.239 4.866 1.00 0.00 O ATOM 0 H GLU A 26 9.951 2.310 0.386 1.00 0.00 H new ATOM 0 HA GLU A 26 10.587 3.012 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.734 0.526 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.534 0.372 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.726 1.842 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.901 1.829 2.710 1.00 0.00 H new ATOM 449 N HIS A 27 12.389 1.314 1.032 1.00 0.00 N ATOM 450 CA HIS A 27 13.789 0.960 0.630 1.00 0.00 C ATOM 451 C HIS A 27 14.592 2.214 0.259 1.00 0.00 C ATOM 452 O HIS A 27 15.514 2.553 0.977 1.00 0.00 O ATOM 453 CB HIS A 27 13.650 -0.025 -0.540 1.00 0.00 C ATOM 454 CG HIS A 27 15.005 -0.476 -1.016 1.00 0.00 C ATOM 455 ND1 HIS A 27 15.755 -1.422 -0.336 1.00 0.00 N ATOM 456 CD2 HIS A 27 15.758 -0.115 -2.108 1.00 0.00 C ATOM 457 CE1 HIS A 27 16.902 -1.596 -1.017 1.00 0.00 C ATOM 458 NE2 HIS A 27 16.956 -0.824 -2.105 1.00 0.00 N ATOM 0 H HIS A 27 11.669 0.919 0.427 1.00 0.00 H new ATOM 0 HA HIS A 27 14.346 0.502 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.062 -0.888 -0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.110 0.449 -1.359 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.465 0.608 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 27 17.685 -2.278 -0.720 1.00 0.00 H new ATOM 0 HE2 HIS A 27 17.712 -0.766 -2.787 1.00 0.00 H new ATOM 466 N LYS A 28 14.274 2.901 -0.816 1.00 0.00 N ATOM 467 CA LYS A 28 15.058 4.129 -1.171 1.00 0.00 C ATOM 468 C LYS A 28 14.407 5.341 -0.491 1.00 0.00 C ATOM 469 O LYS A 28 13.961 6.269 -1.141 1.00 0.00 O ATOM 470 CB LYS A 28 15.035 4.234 -2.702 1.00 0.00 C ATOM 471 CG LYS A 28 16.207 5.100 -3.179 1.00 0.00 C ATOM 472 CD LYS A 28 17.457 4.232 -3.381 1.00 0.00 C ATOM 473 CE LYS A 28 17.727 3.995 -4.874 1.00 0.00 C ATOM 474 NZ LYS A 28 16.537 3.278 -5.428 1.00 0.00 N ATOM 0 H LYS A 28 13.515 2.668 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 28 16.092 4.087 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.101 3.240 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.091 4.668 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.945 5.597 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.412 5.882 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.319 4.718 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.326 3.275 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.882 4.941 -5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.632 3.404 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.765 2.905 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.281 2.492 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.737 3.938 -5.501 1.00 0.00 H new ATOM 488 N ARG A 29 14.354 5.316 0.819 1.00 0.00 N ATOM 489 CA ARG A 29 13.738 6.431 1.603 1.00 0.00 C ATOM 490 C ARG A 29 14.309 6.473 3.028 1.00 0.00 C ATOM 491 O ARG A 29 14.701 7.532 3.476 1.00 0.00 O ATOM 492 CB ARG A 29 12.235 6.134 1.590 1.00 0.00 C ATOM 493 CG ARG A 29 11.407 7.418 1.455 1.00 0.00 C ATOM 494 CD ARG A 29 11.732 8.176 0.160 1.00 0.00 C ATOM 495 NE ARG A 29 11.259 7.353 -0.997 1.00 0.00 N ATOM 496 CZ ARG A 29 10.989 7.963 -2.123 1.00 0.00 C ATOM 497 NH1 ARG A 29 9.821 8.529 -2.300 1.00 0.00 N ATOM 498 NH2 ARG A 29 11.897 8.005 -3.066 1.00 0.00 N ATOM 0 H ARG A 29 14.720 4.553 1.389 1.00 0.00 H new ATOM 0 HA ARG A 29 13.950 7.412 1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.003 5.462 0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.958 5.616 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.346 7.169 1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.598 8.065 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.244 9.151 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.804 8.357 0.084 1.00 0.00 H new ATOM 0 HE ARG A 29 11.150 6.343 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.120 8.495 -1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.612 9.004 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.805 7.565 -2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.696 8.478 -3.947 1.00 0.00 H new ATOM 512 N GLU A 30 14.367 5.358 3.724 1.00 0.00 N ATOM 513 CA GLU A 30 14.925 5.343 5.118 1.00 0.00 C ATOM 514 C GLU A 30 16.364 5.888 5.100 1.00 0.00 C ATOM 515 O GLU A 30 16.775 6.594 6.002 1.00 0.00 O ATOM 516 CB GLU A 30 14.896 3.878 5.580 1.00 0.00 C ATOM 517 CG GLU A 30 13.450 3.373 5.702 1.00 0.00 C ATOM 518 CD GLU A 30 12.760 3.978 6.929 1.00 0.00 C ATOM 519 OE1 GLU A 30 12.257 5.086 6.821 1.00 0.00 O ATOM 520 OE2 GLU A 30 12.743 3.320 7.956 1.00 0.00 O ATOM 0 H GLU A 30 14.049 4.451 3.383 1.00 0.00 H new ATOM 0 HA GLU A 30 14.346 5.969 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.444 3.257 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 30 15.401 3.785 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.893 3.633 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.446 2.286 5.777 1.00 0.00 H new ATOM 527 N ASN A 31 17.112 5.565 4.067 1.00 0.00 N ATOM 528 CA ASN A 31 18.523 6.041 3.926 1.00 0.00 C ATOM 529 C ASN A 31 18.715 6.817 2.607 1.00 0.00 C ATOM 530 O ASN A 31 19.836 6.974 2.159 1.00 0.00 O ATOM 531 CB ASN A 31 19.373 4.766 3.935 1.00 0.00 C ATOM 532 CG ASN A 31 20.405 4.842 5.063 1.00 0.00 C ATOM 533 OD1 ASN A 31 20.242 4.218 6.091 1.00 0.00 O ATOM 534 ND2 ASN A 31 21.468 5.585 4.918 1.00 0.00 N ATOM 0 H ASN A 31 16.791 4.976 3.298 1.00 0.00 H new ATOM 0 HA ASN A 31 18.803 6.727 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 31 18.735 3.893 4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.877 4.646 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.158 5.640 5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 31 21.609 6.111 4.056 1.00 0.00 H new ATOM 541 N ALA A 32 17.662 7.301 1.980 1.00 0.00 N ATOM 542 CA ALA A 32 17.808 8.057 0.694 1.00 0.00 C ATOM 543 C ALA A 32 16.727 9.138 0.543 1.00 0.00 C ATOM 544 O ALA A 32 15.588 8.943 0.926 1.00 0.00 O ATOM 545 CB ALA A 32 17.673 6.999 -0.402 1.00 0.00 C ATOM 0 H ALA A 32 16.702 7.202 2.310 1.00 0.00 H new ATOM 0 HA ALA A 32 18.761 8.585 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.769 7.473 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.456 6.250 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.698 6.519 -0.326 1.00 0.00 H new ATOM 551 N LYS A 33 17.084 10.270 -0.019 1.00 0.00 N ATOM 552 CA LYS A 33 16.106 11.391 -0.219 1.00 0.00 C ATOM 553 C LYS A 33 15.734 11.559 -1.705 1.00 0.00 C ATOM 554 O LYS A 33 16.143 10.768 -2.537 1.00 0.00 O ATOM 555 CB LYS A 33 16.789 12.648 0.354 1.00 0.00 C ATOM 556 CG LYS A 33 17.987 13.100 -0.497 1.00 0.00 C ATOM 557 CD LYS A 33 19.209 13.350 0.398 1.00 0.00 C ATOM 558 CE LYS A 33 19.627 14.826 0.340 1.00 0.00 C ATOM 559 NZ LYS A 33 20.692 14.926 -0.701 1.00 0.00 N ATOM 0 H LYS A 33 18.027 10.468 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 33 15.162 11.194 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.062 13.458 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.125 12.445 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.222 12.339 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.733 14.010 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.977 13.072 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.037 12.719 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.777 15.460 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.998 15.162 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.010 15.913 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.496 14.323 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.313 14.612 -1.617 1.00 0.00 H new ATOM 573 N GLU A 34 14.969 12.579 -2.029 1.00 0.00 N ATOM 574 CA GLU A 34 14.553 12.832 -3.445 1.00 0.00 C ATOM 575 C GLU A 34 15.072 14.202 -3.908 1.00 0.00 C ATOM 576 O GLU A 34 15.770 14.232 -4.908 1.00 0.00 O ATOM 577 CB GLU A 34 13.018 12.777 -3.448 1.00 0.00 C ATOM 578 CG GLU A 34 12.526 11.776 -4.501 1.00 0.00 C ATOM 579 CD GLU A 34 10.999 11.647 -4.462 1.00 0.00 C ATOM 580 OE1 GLU A 34 10.325 12.653 -4.616 1.00 0.00 O ATOM 581 OE2 GLU A 34 10.519 10.538 -4.281 1.00 0.00 O ATOM 582 OXT GLU A 34 14.774 15.201 -3.266 1.00 0.00 O ATOM 0 H GLU A 34 14.610 13.258 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 34 14.965 12.095 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.655 12.486 -2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.612 13.766 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.842 12.100 -5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.982 10.802 -4.324 1.00 0.00 H new TER 589 GLU A 34