USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 358 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 Set 1.1: A 44 LYS NZ :NH3+ -172:sc= 0.378 (180deg=-0.0244) USER MOD Set 1.2: A 51 SER OG : rot 98:sc= 1.46 USER MOD Set 2.1: A 41 GLN : amide:sc= 0.978 K(o=2.3,f=-1.5) USER MOD Set 2.2: A 42 TYR OH : rot -30:sc= 1.36 USER MOD Set 3.1: A 24 MET CE :methyl 171:sc= -0.0383 (180deg=-0.129) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0447) USER MOD Set 4.1: A 15 GLN : amide:sc= 0.466 K(o=1,f=-3.6) USER MOD Set 4.2: A 19 GLN : amide:sc= 0.548 K(o=1,f=-2.9!) USER MOD Set 5.1: A 9 LYS NZ :NH3+ -134:sc= 0.376 (180deg=-0.289) USER MOD Set 5.2: A 10 GLN : amide:sc= 0.0283 K(o=0.4,f=-2.8!) USER MOD Set 6.1: A 8 GLN : amide:sc= 0.774 K(o=1.7,f=0.93) USER MOD Set 6.2: A 12 CYS SG : rot 72:sc= 0.929 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0.0632 (180deg=0.0632) USER MOD Single : A 21 ASN : amide:sc= 1.1 K(o=1.1,f=-0.053) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0683 USER MOD Single : A 29 GLN : amide:sc= 1.76 K(o=1.8,f=-0.2) USER MOD Single : A 33 GLN : amide:sc= 0.901 K(o=0.9,f=-4.9!) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00877) USER MOD Single : A 47 SER OG : rot 102:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 9.292 10.377 1.212 1.00 0.00 N ATOM 74 CA ASP A 5 8.117 9.597 0.851 1.00 0.00 C ATOM 75 C ASP A 5 7.837 8.567 1.957 1.00 0.00 C ATOM 76 O ASP A 5 8.501 7.529 1.982 1.00 0.00 O ATOM 77 CB ASP A 5 8.352 8.954 -0.527 1.00 0.00 C ATOM 78 CG ASP A 5 7.117 8.241 -1.076 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.346 7.644 -0.289 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.915 8.309 -2.308 1.00 0.00 O ATOM 0 HA ASP A 5 7.231 10.226 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.662 9.725 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.173 8.241 -0.453 1.00 0.00 H new ATOM 85 N PRO A 6 6.875 8.813 2.874 1.00 0.00 N ATOM 86 CA PRO A 6 6.652 7.978 4.063 1.00 0.00 C ATOM 87 C PRO A 6 6.299 6.531 3.713 1.00 0.00 C ATOM 88 O PRO A 6 6.592 5.588 4.452 1.00 0.00 O ATOM 89 CB PRO A 6 5.464 8.610 4.796 1.00 0.00 C ATOM 90 CG PRO A 6 5.381 10.028 4.238 1.00 0.00 C ATOM 91 CD PRO A 6 5.844 9.836 2.806 1.00 0.00 C ATOM 0 HA PRO A 6 7.563 7.941 4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.543 8.056 4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.621 8.616 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.368 10.427 4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.023 10.719 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.020 9.523 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.237 10.764 2.391 1.00 0.00 H new ATOM 99 N CYS A 7 5.629 6.378 2.571 1.00 0.00 N ATOM 100 CA CYS A 7 5.002 5.160 2.135 1.00 0.00 C ATOM 101 C CYS A 7 5.898 4.336 1.229 1.00 0.00 C ATOM 102 O CYS A 7 5.624 3.154 1.022 1.00 0.00 O ATOM 103 CB CYS A 7 3.689 5.546 1.458 1.00 0.00 C ATOM 104 SG CYS A 7 2.417 6.142 2.614 1.00 0.00 S ATOM 0 H CYS A 7 5.511 7.142 1.905 1.00 0.00 H new ATOM 0 HA CYS A 7 4.809 4.513 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.886 6.321 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.301 4.682 0.919 1.00 0.00 H new ATOM 106 N GLN A 8 6.993 4.909 0.729 1.00 0.00 N ATOM 107 CA GLN A 8 7.942 4.206 -0.107 1.00 0.00 C ATOM 108 C GLN A 8 8.576 3.027 0.655 1.00 0.00 C ATOM 109 O GLN A 8 8.956 2.029 0.038 1.00 0.00 O ATOM 110 CB GLN A 8 8.915 5.262 -0.640 1.00 0.00 C ATOM 111 CG GLN A 8 10.116 4.701 -1.382 1.00 0.00 C ATOM 112 CD GLN A 8 9.745 3.994 -2.685 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.645 4.613 -3.734 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.520 2.689 -2.638 1.00 0.00 N ATOM 0 H GLN A 8 7.240 5.884 0.900 1.00 0.00 H new ATOM 0 HA GLN A 8 7.479 3.720 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.373 5.932 -1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.270 5.864 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.810 5.512 -1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.640 4.000 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.608 2.188 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.259 2.186 -3.486 1.00 0.00 H new ATOM 123 N LYS A 9 8.615 3.103 1.990 1.00 0.00 N ATOM 124 CA LYS A 9 8.944 1.998 2.875 1.00 0.00 C ATOM 125 C LYS A 9 7.944 0.856 2.679 1.00 0.00 C ATOM 126 O LYS A 9 8.329 -0.264 2.361 1.00 0.00 O ATOM 127 CB LYS A 9 8.928 2.513 4.322 1.00 0.00 C ATOM 128 CG LYS A 9 9.350 1.435 5.330 1.00 0.00 C ATOM 129 CD LYS A 9 9.289 1.985 6.764 1.00 0.00 C ATOM 130 CE LYS A 9 9.409 0.878 7.818 1.00 0.00 C ATOM 131 NZ LYS A 9 8.262 -0.049 7.766 1.00 0.00 N ATOM 0 H LYS A 9 8.411 3.967 2.493 1.00 0.00 H new ATOM 0 HA LYS A 9 9.936 1.609 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.597 3.369 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.926 2.865 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.696 0.568 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.362 1.096 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.091 2.709 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.349 2.519 6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.334 0.323 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.472 1.325 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.912 -0.223 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.502 0.370 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.562 -0.949 7.339 1.00 0.00 H new ATOM 145 N GLN A 10 6.652 1.139 2.848 1.00 0.00 N ATOM 146 CA GLN A 10 5.592 0.144 2.736 1.00 0.00 C ATOM 147 C GLN A 10 5.537 -0.429 1.309 1.00 0.00 C ATOM 148 O GLN A 10 5.355 -1.632 1.157 1.00 0.00 O ATOM 149 CB GLN A 10 4.247 0.722 3.213 1.00 0.00 C ATOM 150 CG GLN A 10 4.136 0.845 4.746 1.00 0.00 C ATOM 151 CD GLN A 10 5.180 1.773 5.368 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.089 1.325 6.053 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.094 3.070 5.098 1.00 0.00 N ATOM 0 H GLN A 10 6.312 2.075 3.068 1.00 0.00 H new ATOM 0 HA GLN A 10 5.815 -0.694 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.106 1.706 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.439 0.088 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.141 1.210 5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.235 -0.146 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.327 3.422 4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.795 3.715 5.464 1.00 0.00 H new ATOM 162 N ALA A 11 5.773 0.384 0.272 1.00 0.00 N ATOM 163 CA ALA A 11 5.972 -0.058 -1.109 1.00 0.00 C ATOM 164 C ALA A 11 7.084 -1.094 -1.228 1.00 0.00 C ATOM 165 O ALA A 11 6.913 -2.102 -1.912 1.00 0.00 O ATOM 166 CB ALA A 11 6.281 1.139 -2.010 1.00 0.00 C ATOM 0 H ALA A 11 5.832 1.397 0.376 1.00 0.00 H new ATOM 0 HA ALA A 11 5.044 -0.530 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.427 0.795 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.449 1.843 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.188 1.633 -1.661 1.00 0.00 H new ATOM 172 N CYS A 12 8.211 -0.870 -0.548 1.00 0.00 N ATOM 173 CA CYS A 12 9.265 -1.876 -0.481 1.00 0.00 C ATOM 174 C CYS A 12 8.735 -3.187 0.110 1.00 0.00 C ATOM 175 O CYS A 12 9.018 -4.261 -0.424 1.00 0.00 O ATOM 176 CB CYS A 12 10.475 -1.389 0.320 1.00 0.00 C ATOM 177 SG CYS A 12 11.269 0.027 -0.489 1.00 0.00 S ATOM 0 H CYS A 12 8.413 -0.008 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 12 9.595 -2.057 -1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.160 -1.108 1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.195 -2.201 0.427 1.00 0.00 H new ATOM 0 HG CYS A 12 10.514 1.078 -0.364 1.00 0.00 H new ATOM 182 N GLU A 13 7.939 -3.104 1.183 1.00 0.00 N ATOM 183 CA GLU A 13 7.348 -4.273 1.823 1.00 0.00 C ATOM 184 C GLU A 13 6.382 -5.017 0.903 1.00 0.00 C ATOM 185 O GLU A 13 6.205 -6.212 1.108 1.00 0.00 O ATOM 186 CB GLU A 13 6.618 -3.941 3.136 1.00 0.00 C ATOM 187 CG GLU A 13 7.458 -3.211 4.185 1.00 0.00 C ATOM 188 CD GLU A 13 8.708 -3.997 4.581 1.00 0.00 C ATOM 189 OE1 GLU A 13 8.593 -4.821 5.514 1.00 0.00 O ATOM 190 OE2 GLU A 13 9.755 -3.774 3.932 1.00 0.00 O ATOM 0 H GLU A 13 7.690 -2.221 1.628 1.00 0.00 H new ATOM 0 HA GLU A 13 8.198 -4.916 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.746 -3.330 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.249 -4.869 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.753 -2.236 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.850 -3.030 5.071 1.00 0.00 H new ATOM 197 N ILE A 14 5.795 -4.375 -0.117 1.00 0.00 N ATOM 198 CA ILE A 14 4.995 -5.073 -1.113 1.00 0.00 C ATOM 199 C ILE A 14 5.863 -6.116 -1.796 1.00 0.00 C ATOM 200 O ILE A 14 5.517 -7.296 -1.838 1.00 0.00 O ATOM 201 CB ILE A 14 4.404 -4.119 -2.154 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.617 -2.950 -1.568 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.553 -4.881 -3.176 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.322 -3.307 -0.870 1.00 0.00 C ATOM 0 H ILE A 14 5.865 -3.369 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 14 4.156 -5.548 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 14 5.265 -3.674 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.257 -2.426 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.392 -2.249 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.145 -4.180 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.172 -5.617 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.736 -5.388 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.849 -2.400 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.652 -3.800 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.531 -3.979 -0.038 1.00 0.00 H new ATOM 216 N GLN A 15 6.993 -5.649 -2.332 1.00 0.00 N ATOM 217 CA GLN A 15 7.944 -6.496 -3.010 1.00 0.00 C ATOM 218 C GLN A 15 8.435 -7.569 -2.055 1.00 0.00 C ATOM 219 O GLN A 15 8.301 -8.748 -2.365 1.00 0.00 O ATOM 220 CB GLN A 15 9.086 -5.671 -3.628 1.00 0.00 C ATOM 221 CG GLN A 15 8.712 -5.108 -5.009 1.00 0.00 C ATOM 222 CD GLN A 15 8.458 -6.196 -6.060 1.00 0.00 C ATOM 223 OE1 GLN A 15 8.769 -7.369 -5.872 1.00 0.00 O ATOM 224 NE2 GLN A 15 7.868 -5.831 -7.191 1.00 0.00 N ATOM 0 H GLN A 15 7.264 -4.666 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 15 7.456 -6.996 -3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.342 -4.849 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.975 -6.295 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.819 -4.491 -4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.514 -4.456 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.612 -4.855 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.670 -6.526 -7.911 1.00 0.00 H new ATOM 233 N LYS A 16 8.929 -7.212 -0.869 1.00 0.00 N ATOM 234 CA LYS A 16 9.482 -8.246 0.000 1.00 0.00 C ATOM 235 C LYS A 16 8.403 -9.210 0.481 1.00 0.00 C ATOM 236 O LYS A 16 8.700 -10.395 0.619 1.00 0.00 O ATOM 237 CB LYS A 16 10.185 -7.648 1.227 1.00 0.00 C ATOM 238 CG LYS A 16 11.651 -7.231 1.031 1.00 0.00 C ATOM 239 CD LYS A 16 11.865 -5.878 0.346 1.00 0.00 C ATOM 240 CE LYS A 16 11.915 -5.991 -1.181 1.00 0.00 C ATOM 241 NZ LYS A 16 11.868 -4.662 -1.811 1.00 0.00 N ATOM 0 H LYS A 16 8.958 -6.261 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 16 10.212 -8.787 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.621 -6.774 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.141 -8.377 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.137 -7.206 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.154 -8.000 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.060 -5.200 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.795 -5.437 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.827 -6.507 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.077 -6.593 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.920 -4.766 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.978 -4.188 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.672 -4.092 -1.479 1.00 0.00 H new ATOM 255 N CYS A 17 7.162 -8.752 0.691 1.00 0.00 N ATOM 256 CA CYS A 17 6.047 -9.657 0.926 1.00 0.00 C ATOM 257 C CYS A 17 5.950 -10.632 -0.235 1.00 0.00 C ATOM 258 O CYS A 17 5.830 -11.832 -0.010 1.00 0.00 O ATOM 259 CB CYS A 17 4.728 -8.898 1.085 1.00 0.00 C ATOM 260 SG CYS A 17 3.249 -9.955 1.151 1.00 0.00 S ATOM 0 H CYS A 17 6.913 -7.763 0.702 1.00 0.00 H new ATOM 0 HA CYS A 17 6.228 -10.196 1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.774 -8.303 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.623 -8.200 0.254 1.00 0.00 H new ATOM 262 N LEU A 18 6.003 -10.129 -1.468 1.00 0.00 N ATOM 263 CA LEU A 18 5.948 -10.941 -2.666 1.00 0.00 C ATOM 264 C LEU A 18 7.082 -11.966 -2.676 1.00 0.00 C ATOM 265 O LEU A 18 6.820 -13.138 -2.932 1.00 0.00 O ATOM 266 CB LEU A 18 5.952 -10.041 -3.922 1.00 0.00 C ATOM 267 CG LEU A 18 4.610 -10.131 -4.658 1.00 0.00 C ATOM 268 CD1 LEU A 18 3.664 -9.045 -4.140 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.782 -9.922 -6.169 1.00 0.00 C ATOM 0 H LEU A 18 6.087 -9.130 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 18 5.015 -11.505 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.146 -9.008 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.759 -10.343 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 18 4.204 -11.126 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.711 -9.112 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.500 -9.185 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.106 -8.064 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.811 -9.992 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.211 -8.937 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.446 -10.688 -6.569 1.00 0.00 H new ATOM 281 N GLN A 19 8.316 -11.553 -2.376 1.00 0.00 N ATOM 282 CA GLN A 19 9.456 -12.451 -2.223 1.00 0.00 C ATOM 283 C GLN A 19 9.191 -13.508 -1.148 1.00 0.00 C ATOM 284 O GLN A 19 9.415 -14.691 -1.400 1.00 0.00 O ATOM 285 CB GLN A 19 10.755 -11.653 -2.003 1.00 0.00 C ATOM 286 CG GLN A 19 11.349 -11.002 -3.276 1.00 0.00 C ATOM 287 CD GLN A 19 10.740 -9.660 -3.719 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.186 -8.616 -3.256 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.765 -9.636 -4.634 1.00 0.00 N ATOM 0 H GLN A 19 8.551 -10.571 -2.231 1.00 0.00 H new ATOM 0 HA GLN A 19 9.595 -13.006 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.562 -10.870 -1.269 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.503 -12.318 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.417 -10.854 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.246 -11.710 -4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.400 -10.510 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.386 -8.744 -4.952 1.00 0.00 H new ATOM 298 N ALA A 20 8.628 -13.117 -0.004 1.00 0.00 N ATOM 299 CA ALA A 20 8.218 -14.026 1.055 1.00 0.00 C ATOM 300 C ALA A 20 7.036 -14.933 0.662 1.00 0.00 C ATOM 301 O ALA A 20 6.756 -15.887 1.387 1.00 0.00 O ATOM 302 CB ALA A 20 7.892 -13.211 2.313 1.00 0.00 C ATOM 0 H ALA A 20 8.442 -12.138 0.212 1.00 0.00 H new ATOM 0 HA ALA A 20 9.050 -14.703 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.583 -13.884 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.776 -12.656 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.084 -12.513 2.095 1.00 0.00 H new ATOM 308 N ASN A 21 6.343 -14.671 -0.457 1.00 0.00 N ATOM 309 CA ASN A 21 5.108 -15.349 -0.850 1.00 0.00 C ATOM 310 C ASN A 21 5.195 -15.949 -2.256 1.00 0.00 C ATOM 311 O ASN A 21 4.180 -16.418 -2.764 1.00 0.00 O ATOM 312 CB ASN A 21 3.922 -14.389 -0.690 1.00 0.00 C ATOM 313 CG ASN A 21 3.529 -14.275 0.778 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.793 -15.104 1.299 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.028 -13.271 1.478 1.00 0.00 N ATOM 0 H ASN A 21 6.638 -13.962 -1.128 1.00 0.00 H new ATOM 0 HA ASN A 21 4.952 -16.199 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.186 -13.406 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.074 -14.747 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.802 -13.178 2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.639 -12.590 1.028 1.00 0.00 H new ATOM 322 N SER A 22 6.377 -15.965 -2.897 1.00 0.00 N ATOM 323 CA SER A 22 6.570 -16.519 -4.241 1.00 0.00 C ATOM 324 C SER A 22 5.672 -15.814 -5.255 1.00 0.00 C ATOM 325 O SER A 22 5.086 -16.423 -6.149 1.00 0.00 O ATOM 326 CB SER A 22 6.383 -18.036 -4.258 1.00 0.00 C ATOM 327 OG SER A 22 7.173 -18.637 -3.251 1.00 0.00 O ATOM 0 H SER A 22 7.232 -15.588 -2.488 1.00 0.00 H new ATOM 0 HA SER A 22 7.602 -16.332 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.333 -18.282 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.661 -18.433 -5.234 1.00 0.00 H new ATOM 0 HG SER A 22 7.044 -19.608 -3.270 1.00 0.00 H new ATOM 333 N TYR A 23 5.576 -14.498 -5.079 1.00 0.00 N ATOM 334 CA TYR A 23 5.003 -13.526 -5.982 1.00 0.00 C ATOM 335 C TYR A 23 3.484 -13.575 -6.093 1.00 0.00 C ATOM 336 O TYR A 23 2.881 -12.909 -6.934 1.00 0.00 O ATOM 337 CB TYR A 23 5.801 -13.546 -7.290 1.00 0.00 C ATOM 338 CG TYR A 23 7.307 -13.513 -7.062 1.00 0.00 C ATOM 339 CD1 TYR A 23 7.830 -12.742 -6.013 1.00 0.00 C ATOM 340 CD2 TYR A 23 8.177 -14.350 -7.785 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.182 -12.740 -5.704 1.00 0.00 C ATOM 342 CE2 TYR A 23 9.548 -14.393 -7.461 1.00 0.00 C ATOM 343 CZ TYR A 23 10.064 -13.571 -6.428 1.00 0.00 C ATOM 344 OH TYR A 23 11.383 -13.605 -6.092 1.00 0.00 O ATOM 0 H TYR A 23 5.928 -14.057 -4.229 1.00 0.00 H new ATOM 0 HA TYR A 23 5.114 -12.526 -5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.543 -14.442 -7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.511 -12.691 -7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.159 -12.131 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.794 -14.960 -8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.558 -12.106 -4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.208 -15.055 -8.002 1.00 0.00 H new ATOM 0 HH TYR A 23 11.856 -14.226 -6.685 1.00 0.00 H new ATOM 354 N MET A 24 2.866 -14.296 -5.160 1.00 0.00 N ATOM 355 CA MET A 24 1.442 -14.324 -4.940 1.00 0.00 C ATOM 356 C MET A 24 0.984 -12.988 -4.356 1.00 0.00 C ATOM 357 O MET A 24 0.819 -12.849 -3.144 1.00 0.00 O ATOM 358 CB MET A 24 1.072 -15.516 -4.046 1.00 0.00 C ATOM 359 CG MET A 24 1.501 -16.841 -4.683 1.00 0.00 C ATOM 360 SD MET A 24 0.727 -18.308 -3.947 1.00 0.00 S ATOM 361 CE MET A 24 1.764 -18.498 -2.473 1.00 0.00 C ATOM 0 H MET A 24 3.376 -14.899 -4.515 1.00 0.00 H new ATOM 0 HA MET A 24 0.920 -14.461 -5.887 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.550 -15.406 -3.073 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.004 -15.524 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.263 -16.814 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.584 -16.936 -4.601 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.332 -19.256 -1.819 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.767 -18.804 -2.771 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.818 -17.548 -1.941 1.00 0.00 H new ATOM 371 N GLU A 25 0.731 -12.004 -5.226 1.00 0.00 N ATOM 372 CA GLU A 25 0.134 -10.733 -4.831 1.00 0.00 C ATOM 373 C GLU A 25 -1.190 -10.938 -4.083 1.00 0.00 C ATOM 374 O GLU A 25 -1.549 -10.097 -3.266 1.00 0.00 O ATOM 375 CB GLU A 25 -0.061 -9.826 -6.059 1.00 0.00 C ATOM 376 CG GLU A 25 0.002 -8.343 -5.661 1.00 0.00 C ATOM 377 CD GLU A 25 -0.752 -7.443 -6.639 1.00 0.00 C ATOM 378 OE1 GLU A 25 -0.265 -7.302 -7.782 1.00 0.00 O ATOM 379 OE2 GLU A 25 -1.809 -6.917 -6.219 1.00 0.00 O ATOM 0 H GLU A 25 0.936 -12.071 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 25 0.821 -10.241 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.709 -10.041 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.022 -10.041 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.417 -8.220 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.044 -8.027 -5.611 1.00 0.00 H new ATOM 386 N SER A 26 -1.875 -12.068 -4.297 1.00 0.00 N ATOM 387 CA SER A 26 -3.031 -12.535 -3.544 1.00 0.00 C ATOM 388 C SER A 26 -2.769 -12.549 -2.031 1.00 0.00 C ATOM 389 O SER A 26 -3.608 -12.092 -1.259 1.00 0.00 O ATOM 390 CB SER A 26 -3.393 -13.944 -4.030 1.00 0.00 C ATOM 391 OG SER A 26 -3.300 -14.026 -5.442 1.00 0.00 O ATOM 0 H SER A 26 -1.618 -12.713 -5.044 1.00 0.00 H new ATOM 0 HA SER A 26 -3.858 -11.846 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.725 -14.674 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.405 -14.195 -3.712 1.00 0.00 H new ATOM 0 HG SER A 26 -3.533 -14.932 -5.733 1.00 0.00 H new ATOM 397 N LYS A 27 -1.597 -13.037 -1.606 1.00 0.00 N ATOM 398 CA LYS A 27 -1.157 -13.015 -0.219 1.00 0.00 C ATOM 399 C LYS A 27 -0.906 -11.565 0.192 1.00 0.00 C ATOM 400 O LYS A 27 -1.382 -11.093 1.224 1.00 0.00 O ATOM 401 CB LYS A 27 0.136 -13.838 -0.054 1.00 0.00 C ATOM 402 CG LYS A 27 0.029 -15.322 -0.446 1.00 0.00 C ATOM 403 CD LYS A 27 -0.405 -16.208 0.727 1.00 0.00 C ATOM 404 CE LYS A 27 -0.460 -17.692 0.345 1.00 0.00 C ATOM 405 NZ LYS A 27 -1.456 -17.972 -0.708 1.00 0.00 N ATOM 0 H LYS A 27 -0.919 -13.466 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.927 -13.455 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.919 -13.377 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.455 -13.777 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.686 -15.429 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.993 -15.666 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.289 -16.074 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.386 -15.888 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.524 -18.012 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.697 -18.282 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.525 -18.999 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.383 -17.601 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.163 -17.513 -1.594 1.00 0.00 H new ATOM 419 N CYS A 28 -0.164 -10.841 -0.652 1.00 0.00 N ATOM 420 CA CYS A 28 0.284 -9.489 -0.410 1.00 0.00 C ATOM 421 C CYS A 28 -0.838 -8.451 -0.514 1.00 0.00 C ATOM 422 O CYS A 28 -0.585 -7.277 -0.265 1.00 0.00 O ATOM 423 CB CYS A 28 1.502 -9.279 -1.307 1.00 0.00 C ATOM 424 SG CYS A 28 2.815 -10.428 -0.801 1.00 0.00 S ATOM 0 H CYS A 28 0.146 -11.205 -1.553 1.00 0.00 H new ATOM 0 HA CYS A 28 0.592 -9.337 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.235 -9.448 -2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.853 -8.250 -1.231 1.00 0.00 H new ATOM 426 N GLN A 29 -2.096 -8.844 -0.751 1.00 0.00 N ATOM 427 CA GLN A 29 -3.225 -7.924 -0.605 1.00 0.00 C ATOM 428 C GLN A 29 -3.270 -7.315 0.807 1.00 0.00 C ATOM 429 O GLN A 29 -3.725 -6.178 0.955 1.00 0.00 O ATOM 430 CB GLN A 29 -4.569 -8.589 -0.945 1.00 0.00 C ATOM 431 CG GLN A 29 -4.691 -9.066 -2.398 1.00 0.00 C ATOM 432 CD GLN A 29 -4.373 -7.981 -3.426 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.212 -7.146 -3.747 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.169 -7.994 -3.974 1.00 0.00 N ATOM 0 H GLN A 29 -2.354 -9.787 -1.043 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.066 -7.121 -1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.717 -9.442 -0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.373 -7.882 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.018 -9.910 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.704 -9.431 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.487 -8.698 -3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.922 -7.300 -4.679 1.00 0.00 H new ATOM 443 N ALA A 30 -2.728 -8.023 1.814 1.00 0.00 N ATOM 444 CA ALA A 30 -2.491 -7.529 3.167 1.00 0.00 C ATOM 445 C ALA A 30 -1.603 -6.288 3.180 1.00 0.00 C ATOM 446 O ALA A 30 -1.913 -5.286 3.819 1.00 0.00 O ATOM 447 CB ALA A 30 -1.779 -8.617 3.983 1.00 0.00 C ATOM 0 H ALA A 30 -2.434 -8.992 1.695 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.461 -7.272 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.599 -8.254 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.404 -9.509 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.827 -8.862 3.511 1.00 0.00 H new ATOM 453 N VAL A 31 -0.459 -6.373 2.509 1.00 0.00 N ATOM 454 CA VAL A 31 0.545 -5.339 2.506 1.00 0.00 C ATOM 455 C VAL A 31 0.150 -4.238 1.510 1.00 0.00 C ATOM 456 O VAL A 31 0.492 -3.082 1.748 1.00 0.00 O ATOM 457 CB VAL A 31 1.908 -6.014 2.313 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.057 -6.620 0.932 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.110 -5.145 2.620 1.00 0.00 C ATOM 0 H VAL A 31 -0.208 -7.184 1.943 1.00 0.00 H new ATOM 0 HA VAL A 31 0.624 -4.800 3.450 1.00 0.00 H new ATOM 0 HB VAL A 31 1.904 -6.805 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.038 -7.086 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.283 -7.372 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.957 -5.838 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.024 -5.715 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.103 -4.271 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.070 -4.822 3.660 1.00 0.00 H new ATOM 469 N ILE A 32 -0.644 -4.546 0.463 1.00 0.00 N ATOM 470 CA ILE A 32 -1.285 -3.511 -0.332 1.00 0.00 C ATOM 471 C ILE A 32 -2.175 -2.742 0.634 1.00 0.00 C ATOM 472 O ILE A 32 -2.078 -1.520 0.686 1.00 0.00 O ATOM 473 CB ILE A 32 -2.084 -4.052 -1.553 1.00 0.00 C ATOM 474 CG1 ILE A 32 -1.194 -4.287 -2.799 1.00 0.00 C ATOM 475 CG2 ILE A 32 -3.246 -3.107 -1.963 1.00 0.00 C ATOM 476 CD1 ILE A 32 -0.356 -5.569 -2.777 1.00 0.00 C ATOM 0 H ILE A 32 -0.847 -5.499 0.161 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.528 -2.873 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.487 -5.007 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.833 -4.306 -3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.522 -3.436 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.773 -3.528 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.938 -2.998 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.843 -2.130 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.229 -5.637 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.315 -5.550 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.016 -6.434 -2.703 1.00 0.00 H new ATOM 488 N GLN A 33 -2.984 -3.445 1.441 1.00 0.00 N ATOM 489 CA GLN A 33 -3.821 -2.835 2.450 1.00 0.00 C ATOM 490 C GLN A 33 -3.002 -1.932 3.361 1.00 0.00 C ATOM 491 O GLN A 33 -3.464 -0.856 3.740 1.00 0.00 O ATOM 492 CB GLN A 33 -4.542 -3.917 3.271 1.00 0.00 C ATOM 493 CG GLN A 33 -6.044 -3.694 3.226 1.00 0.00 C ATOM 494 CD GLN A 33 -6.699 -3.849 1.842 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.778 -3.309 1.618 1.00 0.00 O ATOM 496 NE2 GLN A 33 -6.095 -4.540 0.879 1.00 0.00 N ATOM 0 H GLN A 33 -3.066 -4.461 1.400 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.569 -2.221 1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.301 -4.904 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.194 -3.893 4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.518 -4.395 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.256 -2.691 3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.198 -4.991 1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.529 -4.619 -0.041 1.00 0.00 H new ATOM 505 N GLU A 34 -1.772 -2.343 3.681 1.00 0.00 N ATOM 506 CA GLU A 34 -0.945 -1.539 4.528 1.00 0.00 C ATOM 507 C GLU A 34 -0.473 -0.273 3.795 1.00 0.00 C ATOM 508 O GLU A 34 -0.457 0.803 4.396 1.00 0.00 O ATOM 509 CB GLU A 34 0.218 -2.400 5.031 1.00 0.00 C ATOM 510 CG GLU A 34 1.047 -1.611 6.028 1.00 0.00 C ATOM 511 CD GLU A 34 2.201 -2.447 6.581 1.00 0.00 C ATOM 512 OE1 GLU A 34 3.203 -2.586 5.846 1.00 0.00 O ATOM 513 OE2 GLU A 34 2.057 -2.938 7.722 1.00 0.00 O ATOM 0 H GLU A 34 -1.349 -3.215 3.363 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.513 -1.189 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.165 -3.307 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.841 -2.712 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.442 -0.716 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.412 -1.278 6.849 1.00 0.00 H new ATOM 520 N LEU A 35 -0.123 -0.361 2.502 1.00 0.00 N ATOM 521 CA LEU A 35 0.223 0.813 1.717 1.00 0.00 C ATOM 522 C LEU A 35 -0.974 1.738 1.575 1.00 0.00 C ATOM 523 O LEU A 35 -0.773 2.949 1.623 1.00 0.00 O ATOM 524 CB LEU A 35 0.824 0.493 0.342 1.00 0.00 C ATOM 525 CG LEU A 35 2.243 0.973 0.070 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.589 0.806 -1.408 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.440 2.453 0.391 1.00 0.00 C ATOM 0 H LEU A 35 -0.075 -1.239 1.986 1.00 0.00 H new ATOM 0 HA LEU A 35 1.011 1.319 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.803 -0.589 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.172 0.921 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 35 2.883 0.369 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.607 1.154 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.512 -0.246 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.895 1.391 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.470 2.738 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.764 3.051 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.226 2.628 1.445 1.00 0.00 H new ATOM 539 N ARG A 36 -2.203 1.220 1.435 1.00 0.00 N ATOM 540 CA ARG A 36 -3.349 2.120 1.336 1.00 0.00 C ATOM 541 C ARG A 36 -3.575 2.837 2.669 1.00 0.00 C ATOM 542 O ARG A 36 -3.812 4.046 2.671 1.00 0.00 O ATOM 543 CB ARG A 36 -4.645 1.511 0.770 1.00 0.00 C ATOM 544 CG ARG A 36 -5.071 0.138 1.244 1.00 0.00 C ATOM 545 CD ARG A 36 -6.065 -0.532 0.280 1.00 0.00 C ATOM 546 NE ARG A 36 -7.227 0.324 0.027 1.00 0.00 N ATOM 547 CZ ARG A 36 -8.504 0.171 0.386 1.00 0.00 C ATOM 548 NH1 ARG A 36 -8.967 -0.970 0.897 1.00 0.00 N ATOM 549 NH2 ARG A 36 -9.327 1.211 0.234 1.00 0.00 N ATOM 0 H ARG A 36 -2.420 0.224 1.390 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.075 2.847 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.458 2.203 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.544 1.470 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.191 -0.496 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.526 0.222 2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.565 -0.756 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.396 -1.482 0.699 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.029 1.170 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.339 -1.763 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.949 -1.050 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.974 2.089 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.309 1.127 0.498 1.00 0.00 H new ATOM 563 N LYS A 37 -3.430 2.128 3.798 1.00 0.00 N ATOM 564 CA LYS A 37 -3.528 2.732 5.123 1.00 0.00 C ATOM 565 C LYS A 37 -2.422 3.758 5.339 1.00 0.00 C ATOM 566 O LYS A 37 -2.686 4.814 5.910 1.00 0.00 O ATOM 567 CB LYS A 37 -3.469 1.652 6.212 1.00 0.00 C ATOM 568 CG LYS A 37 -4.761 0.831 6.299 1.00 0.00 C ATOM 569 CD LYS A 37 -4.552 -0.358 7.248 1.00 0.00 C ATOM 570 CE LYS A 37 -5.836 -1.167 7.449 1.00 0.00 C ATOM 571 NZ LYS A 37 -6.264 -1.842 6.211 1.00 0.00 N ATOM 0 H LYS A 37 -3.243 1.125 3.812 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.488 3.245 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.631 0.984 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.277 2.123 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.578 1.457 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.044 0.474 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.773 -1.008 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.199 0.006 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.677 -1.910 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.631 -0.506 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.118 -2.405 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.473 -1.130 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.504 -2.467 5.876 1.00 0.00 H new ATOM 585 N CYS A 38 -1.203 3.467 4.867 1.00 0.00 N ATOM 586 CA CYS A 38 -0.120 4.431 4.861 1.00 0.00 C ATOM 587 C CYS A 38 -0.533 5.641 4.040 1.00 0.00 C ATOM 588 O CYS A 38 -0.447 6.761 4.513 1.00 0.00 O ATOM 589 CB CYS A 38 1.168 3.815 4.303 1.00 0.00 C ATOM 590 SG CYS A 38 2.563 4.979 4.305 1.00 0.00 S ATOM 0 H CYS A 38 -0.951 2.557 4.482 1.00 0.00 H new ATOM 0 HA CYS A 38 0.083 4.739 5.887 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.432 2.938 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.989 3.471 3.284 1.00 0.00 H new ATOM 592 N CYS A 39 -0.978 5.422 2.807 1.00 0.00 N ATOM 593 CA CYS A 39 -1.244 6.469 1.844 1.00 0.00 C ATOM 594 C CYS A 39 -2.257 7.470 2.358 1.00 0.00 C ATOM 595 O CYS A 39 -2.019 8.678 2.341 1.00 0.00 O ATOM 596 CB CYS A 39 -1.721 5.791 0.577 1.00 0.00 C ATOM 597 SG CYS A 39 -2.124 6.843 -0.828 1.00 0.00 S ATOM 0 H CYS A 39 -1.166 4.486 2.447 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.339 7.046 1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.950 5.088 0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.606 5.204 0.822 1.00 0.00 H new ATOM 599 N ALA A 40 -3.364 6.943 2.873 1.00 0.00 N ATOM 600 CA ALA A 40 -4.485 7.744 3.319 1.00 0.00 C ATOM 601 C ALA A 40 -4.166 8.561 4.581 1.00 0.00 C ATOM 602 O ALA A 40 -5.021 9.302 5.060 1.00 0.00 O ATOM 603 CB ALA A 40 -5.697 6.829 3.534 1.00 0.00 C ATOM 0 H ALA A 40 -3.503 5.939 2.991 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.712 8.477 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.547 7.423 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.949 6.333 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.458 6.079 4.288 1.00 0.00 H new ATOM 609 N GLN A 41 -2.952 8.437 5.131 1.00 0.00 N ATOM 610 CA GLN A 41 -2.493 9.145 6.299 1.00 0.00 C ATOM 611 C GLN A 41 -1.962 10.538 5.935 1.00 0.00 C ATOM 612 O GLN A 41 -1.716 11.339 6.834 1.00 0.00 O ATOM 613 CB GLN A 41 -1.366 8.295 6.885 1.00 0.00 C ATOM 614 CG GLN A 41 -1.074 8.473 8.361 1.00 0.00 C ATOM 615 CD GLN A 41 0.029 7.508 8.804 1.00 0.00 C ATOM 616 OE1 GLN A 41 1.214 7.838 8.811 1.00 0.00 O ATOM 617 NE2 GLN A 41 -0.330 6.276 9.149 1.00 0.00 N ATOM 0 H GLN A 41 -2.244 7.811 4.747 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.308 9.294 7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.605 7.246 6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.453 8.511 6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.768 9.501 8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.979 8.294 8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.315 6.011 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.379 5.596 9.422 1.00 0.00 H new ATOM 626 N TYR A 42 -1.755 10.819 4.638 1.00 0.00 N ATOM 627 CA TYR A 42 -1.036 11.981 4.163 1.00 0.00 C ATOM 628 C TYR A 42 -1.783 12.696 3.037 1.00 0.00 C ATOM 629 O TYR A 42 -2.569 12.065 2.330 1.00 0.00 O ATOM 630 CB TYR A 42 0.348 11.559 3.633 1.00 0.00 C ATOM 631 CG TYR A 42 1.224 10.843 4.636 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.087 9.455 4.789 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.127 11.551 5.452 1.00 0.00 C ATOM 634 CE1 TYR A 42 1.858 8.761 5.733 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.866 10.870 6.440 1.00 0.00 C ATOM 636 CZ TYR A 42 2.712 9.474 6.600 1.00 0.00 C ATOM 637 OH TYR A 42 3.281 8.834 7.654 1.00 0.00 O ATOM 0 H TYR A 42 -2.096 10.222 3.885 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.938 12.664 5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.207 10.911 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.873 12.448 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.381 8.916 4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.253 12.616 5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.798 7.684 5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.550 11.414 7.075 1.00 0.00 H new ATOM 0 HH TYR A 42 2.689 8.115 7.958 1.00 0.00 H new ATOM 647 N PRO A 43 -1.501 13.992 2.805 1.00 0.00 N ATOM 648 CA PRO A 43 -1.919 14.659 1.584 1.00 0.00 C ATOM 649 C PRO A 43 -1.101 13.992 0.471 1.00 0.00 C ATOM 650 O PRO A 43 0.114 14.163 0.420 1.00 0.00 O ATOM 651 CB PRO A 43 -1.597 16.144 1.791 1.00 0.00 C ATOM 652 CG PRO A 43 -0.452 16.137 2.806 1.00 0.00 C ATOM 653 CD PRO A 43 -0.721 14.890 3.650 1.00 0.00 C ATOM 0 HA PRO A 43 -2.976 14.583 1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.300 16.622 0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.461 16.691 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.519 16.085 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.452 17.041 3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.212 14.421 3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.268 15.144 4.558 1.00 0.00 H new ATOM 661 N LYS A 44 -1.748 13.194 -0.387 1.00 0.00 N ATOM 662 CA LYS A 44 -1.120 12.265 -1.332 1.00 0.00 C ATOM 663 C LYS A 44 0.079 12.785 -2.134 1.00 0.00 C ATOM 664 O LYS A 44 0.967 11.993 -2.441 1.00 0.00 O ATOM 665 CB LYS A 44 -2.195 11.605 -2.214 1.00 0.00 C ATOM 666 CG LYS A 44 -3.162 12.541 -2.970 1.00 0.00 C ATOM 667 CD LYS A 44 -2.621 13.162 -4.270 1.00 0.00 C ATOM 668 CE LYS A 44 -2.955 12.347 -5.524 1.00 0.00 C ATOM 669 NZ LYS A 44 -2.300 11.029 -5.531 1.00 0.00 N ATOM 0 H LYS A 44 -2.766 13.178 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.642 11.511 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.690 10.977 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.789 10.944 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.067 11.981 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.454 13.349 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.029 14.167 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.539 13.265 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.035 12.213 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.649 12.906 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.446 10.574 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.281 11.147 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.710 10.434 -4.783 1.00 0.00 H new ATOM 683 N GLY A 45 0.180 14.094 -2.395 1.00 0.00 N ATOM 684 CA GLY A 45 1.358 14.704 -3.010 1.00 0.00 C ATOM 685 C GLY A 45 2.656 14.460 -2.226 1.00 0.00 C ATOM 686 O GLY A 45 3.737 14.572 -2.802 1.00 0.00 O ATOM 0 H GLY A 45 -0.561 14.762 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.474 14.312 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.195 15.778 -3.102 1.00 0.00 H new ATOM 690 N ARG A 46 2.576 14.084 -0.943 1.00 0.00 N ATOM 691 CA ARG A 46 3.666 13.633 -0.096 1.00 0.00 C ATOM 692 C ARG A 46 4.335 12.358 -0.628 1.00 0.00 C ATOM 693 O ARG A 46 5.465 12.063 -0.235 1.00 0.00 O ATOM 694 CB ARG A 46 3.020 13.378 1.278 1.00 0.00 C ATOM 695 CG ARG A 46 3.983 13.172 2.446 1.00 0.00 C ATOM 696 CD ARG A 46 4.239 14.452 3.247 1.00 0.00 C ATOM 697 NE ARG A 46 4.845 15.507 2.417 1.00 0.00 N ATOM 698 CZ ARG A 46 6.081 16.012 2.516 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.943 15.562 3.424 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.464 16.975 1.681 1.00 0.00 N ATOM 0 H ARG A 46 1.686 14.091 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 46 4.462 14.376 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.371 14.221 1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.383 12.497 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.579 12.409 3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.931 12.793 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.299 14.813 3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.896 14.229 4.088 1.00 0.00 H new ATOM 0 HE ARG A 46 4.255 15.898 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.667 14.817 4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.879 15.962 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.818 17.323 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.404 17.365 1.749 1.00 0.00 H new ATOM 714 N SER A 47 3.663 11.566 -1.478 1.00 0.00 N ATOM 715 CA SER A 47 4.160 10.258 -1.849 1.00 0.00 C ATOM 716 C SER A 47 3.795 9.831 -3.266 1.00 0.00 C ATOM 717 O SER A 47 2.656 9.914 -3.731 1.00 0.00 O ATOM 718 CB SER A 47 3.733 9.255 -0.783 1.00 0.00 C ATOM 719 OG SER A 47 3.917 7.914 -1.184 1.00 0.00 O ATOM 0 H SER A 47 2.776 11.820 -1.914 1.00 0.00 H new ATOM 0 HA SER A 47 5.249 10.301 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.302 9.437 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.682 9.415 -0.541 1.00 0.00 H new ATOM 0 HG SER A 47 4.727 7.555 -0.765 1.00 0.00 H new ATOM 725 N VAL A 48 4.827 9.307 -3.923 1.00 0.00 N ATOM 726 CA VAL A 48 4.801 8.771 -5.266 1.00 0.00 C ATOM 727 C VAL A 48 4.057 7.441 -5.252 1.00 0.00 C ATOM 728 O VAL A 48 3.077 7.280 -5.976 1.00 0.00 O ATOM 729 CB VAL A 48 6.229 8.621 -5.834 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.138 8.288 -7.329 1.00 0.00 C ATOM 731 CG2 VAL A 48 7.080 9.890 -5.645 1.00 0.00 C ATOM 0 H VAL A 48 5.753 9.245 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 48 4.276 9.463 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 48 6.720 7.819 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.142 8.180 -7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.590 7.355 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.618 9.092 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.074 9.727 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.604 10.727 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.166 10.116 -4.582 1.00 0.00 H new ATOM 741 N VAL A 49 4.494 6.495 -4.411 1.00 0.00 N ATOM 742 CA VAL A 49 3.878 5.180 -4.319 1.00 0.00 C ATOM 743 C VAL A 49 2.401 5.318 -3.933 1.00 0.00 C ATOM 744 O VAL A 49 1.557 4.652 -4.526 1.00 0.00 O ATOM 745 CB VAL A 49 4.670 4.270 -3.358 1.00 0.00 C ATOM 746 CG1 VAL A 49 6.176 4.250 -3.659 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.538 4.699 -1.899 1.00 0.00 C ATOM 0 H VAL A 49 5.284 6.627 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 49 3.910 4.695 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 49 4.233 3.284 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.680 3.593 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.340 3.884 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.579 5.259 -3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.115 4.024 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.915 5.715 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.489 4.665 -1.603 1.00 0.00 H new ATOM 757 N CYS A 50 2.079 6.230 -3.001 1.00 0.00 N ATOM 758 CA CYS A 50 0.722 6.511 -2.556 1.00 0.00 C ATOM 759 C CYS A 50 -0.100 7.072 -3.724 1.00 0.00 C ATOM 760 O CYS A 50 -1.264 6.712 -3.908 1.00 0.00 O ATOM 761 CB CYS A 50 0.797 7.544 -1.427 1.00 0.00 C ATOM 762 SG CYS A 50 -0.733 8.322 -0.854 1.00 0.00 S ATOM 0 H CYS A 50 2.780 6.802 -2.530 1.00 0.00 H new ATOM 0 HA CYS A 50 0.242 5.599 -2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.263 7.061 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.470 8.338 -1.750 1.00 0.00 H new ATOM 764 N SER A 51 0.525 7.899 -4.570 1.00 0.00 N ATOM 765 CA SER A 51 -0.105 8.414 -5.770 1.00 0.00 C ATOM 766 C SER A 51 -0.361 7.315 -6.812 1.00 0.00 C ATOM 767 O SER A 51 -1.208 7.511 -7.682 1.00 0.00 O ATOM 768 CB SER A 51 0.712 9.581 -6.333 1.00 0.00 C ATOM 769 OG SER A 51 0.800 10.628 -5.380 1.00 0.00 O ATOM 0 H SER A 51 1.482 8.224 -4.433 1.00 0.00 H new ATOM 0 HA SER A 51 -1.091 8.794 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.712 9.238 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.248 9.951 -7.247 1.00 0.00 H new ATOM 0 HG SER A 51 1.654 10.566 -4.904 1.00 0.00 H new ATOM 775 N GLY A 52 0.291 6.145 -6.703 1.00 0.00 N ATOM 776 CA GLY A 52 -0.094 4.969 -7.495 1.00 0.00 C ATOM 777 C GLY A 52 -1.192 4.168 -6.832 1.00 0.00 C ATOM 778 O GLY A 52 -1.897 3.381 -7.461 1.00 0.00 O ATOM 0 H GLY A 52 1.082 5.991 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.427 5.291 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.778 4.332 -7.645 1.00 0.00 H new ATOM 782 N PHE A 53 -1.319 4.372 -5.535 1.00 0.00 N ATOM 783 CA PHE A 53 -2.075 3.545 -4.666 1.00 0.00 C ATOM 784 C PHE A 53 -3.538 3.812 -4.699 1.00 0.00 C ATOM 785 O PHE A 53 -4.326 2.886 -4.717 1.00 0.00 O ATOM 786 CB PHE A 53 -1.542 3.797 -3.273 1.00 0.00 C ATOM 787 CG PHE A 53 -1.338 2.473 -2.694 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.260 1.746 -3.205 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.340 1.895 -1.921 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.159 0.397 -2.894 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.208 0.553 -1.580 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.118 -0.181 -2.053 1.00 0.00 C ATOM 0 H PHE A 53 -0.873 5.155 -5.056 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.966 2.508 -4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.610 4.361 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.247 4.381 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.480 2.224 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.194 2.471 -1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.648 -0.198 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.947 0.079 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.012 -1.216 -1.764 1.00 0.00 H new ATOM 802 N GLU A 54 -3.893 5.082 -4.707 1.00 0.00 N ATOM 803 CA GLU A 54 -5.277 5.510 -4.740 1.00 0.00 C ATOM 804 C GLU A 54 -5.962 5.032 -6.029 1.00 0.00 C ATOM 805 O GLU A 54 -7.184 4.918 -6.049 1.00 0.00 O ATOM 806 CB GLU A 54 -5.333 7.009 -4.462 1.00 0.00 C ATOM 807 CG GLU A 54 -4.907 7.249 -2.993 1.00 0.00 C ATOM 808 CD GLU A 54 -4.393 8.675 -2.788 1.00 0.00 C ATOM 809 OE1 GLU A 54 -3.459 9.062 -3.526 1.00 0.00 O ATOM 810 OE2 GLU A 54 -4.956 9.368 -1.913 1.00 0.00 O ATOM 0 H GLU A 54 -3.224 5.851 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.865 5.042 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.671 7.546 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.340 7.389 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.755 7.067 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.129 6.537 -2.717 1.00 0.00 H new