USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 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 24 MET CE :methyl 168:sc= -0.0544 (180deg=-0.223) USER MOD Set 1.2: A 27 LYS NZ :NH3+ -172:sc= -0.0017 (180deg=-0.0735) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.534 K(o=0.35,f=-5.6!) USER MOD Set 2.2: A 19 GLN : amide:sc= -0.181 K(o=0.35,f=-2.7!) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.708 K(o=0.72,f=0.16) USER MOD Set 3.2: A 12 CYS SG : rot 180:sc= 0.00941 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0.641 (180deg=0.634) USER MOD Single : A 10 GLN : amide:sc= -0.141 K(o=-0.14,f=-6.4!) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0117) USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.037) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 29 GLN : amide:sc= 1.33 K(o=1.3,f=-0.061) USER MOD Single : A 33 GLN : amide:sc= -0.165 K(o=-0.16,f=-8.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.63 K(o=0.63,f=-0.049) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 136:sc= 0.249 (180deg=-0.296) USER MOD Single : A 47 SER OG : rot 112:sc= 1.18 USER MOD Single : A 51 SER OG : rot 77:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 9.274 10.260 1.528 1.00 0.00 N ATOM 74 CA ASP A 5 8.129 9.551 0.998 1.00 0.00 C ATOM 75 C ASP A 5 7.723 8.523 2.067 1.00 0.00 C ATOM 76 O ASP A 5 8.344 7.461 2.119 1.00 0.00 O ATOM 77 CB ASP A 5 8.473 8.927 -0.365 1.00 0.00 C ATOM 78 CG ASP A 5 7.265 8.269 -1.029 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.470 7.594 -0.334 1.00 0.00 O ATOM 80 OD2 ASP A 5 7.100 8.470 -2.249 1.00 0.00 O ATOM 0 HA ASP A 5 7.283 10.209 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.870 9.699 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.260 8.185 -0.233 1.00 0.00 H new ATOM 85 N PRO A 6 6.721 8.812 2.928 1.00 0.00 N ATOM 86 CA PRO A 6 6.412 8.004 4.112 1.00 0.00 C ATOM 87 C PRO A 6 6.146 6.542 3.764 1.00 0.00 C ATOM 88 O PRO A 6 6.530 5.631 4.493 1.00 0.00 O ATOM 89 CB PRO A 6 5.160 8.616 4.743 1.00 0.00 C ATOM 90 CG PRO A 6 5.073 10.015 4.148 1.00 0.00 C ATOM 91 CD PRO A 6 5.699 9.837 2.774 1.00 0.00 C ATOM 0 HA PRO A 6 7.265 8.011 4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.271 8.030 4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.241 8.652 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.042 10.362 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.617 10.744 4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.951 9.535 2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.134 10.771 2.419 1.00 0.00 H new ATOM 99 N CYS A 7 5.491 6.347 2.620 1.00 0.00 N ATOM 100 CA CYS A 7 4.921 5.102 2.181 1.00 0.00 C ATOM 101 C CYS A 7 5.857 4.285 1.307 1.00 0.00 C ATOM 102 O CYS A 7 5.566 3.122 1.018 1.00 0.00 O ATOM 103 CB CYS A 7 3.637 5.444 1.435 1.00 0.00 C ATOM 104 SG CYS A 7 2.298 5.994 2.535 1.00 0.00 S ATOM 0 H CYS A 7 5.343 7.101 1.949 1.00 0.00 H new ATOM 0 HA CYS A 7 4.727 4.471 3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.845 6.227 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.304 4.569 0.877 1.00 0.00 H new ATOM 106 N GLN A 8 6.991 4.851 0.893 1.00 0.00 N ATOM 107 CA GLN A 8 7.963 4.145 0.088 1.00 0.00 C ATOM 108 C GLN A 8 8.524 2.933 0.858 1.00 0.00 C ATOM 109 O GLN A 8 8.902 1.938 0.236 1.00 0.00 O ATOM 110 CB GLN A 8 8.982 5.188 -0.384 1.00 0.00 C ATOM 111 CG GLN A 8 10.217 4.600 -1.048 1.00 0.00 C ATOM 112 CD GLN A 8 9.916 3.888 -2.366 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.829 4.516 -3.415 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.743 2.575 -2.340 1.00 0.00 N ATOM 0 H GLN A 8 7.253 5.812 1.111 1.00 0.00 H new ATOM 0 HA GLN A 8 7.537 3.688 -0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.494 5.864 -1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.294 5.787 0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.937 5.398 -1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.689 3.896 -0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.819 2.068 -1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.534 2.071 -3.202 1.00 0.00 H new ATOM 123 N LYS A 9 8.496 2.966 2.196 1.00 0.00 N ATOM 124 CA LYS A 9 8.760 1.818 3.053 1.00 0.00 C ATOM 125 C LYS A 9 7.772 0.696 2.721 1.00 0.00 C ATOM 126 O LYS A 9 8.181 -0.408 2.374 1.00 0.00 O ATOM 127 CB LYS A 9 8.691 2.274 4.523 1.00 0.00 C ATOM 128 CG LYS A 9 9.304 1.297 5.541 1.00 0.00 C ATOM 129 CD LYS A 9 8.408 0.091 5.868 1.00 0.00 C ATOM 130 CE LYS A 9 8.960 -0.731 7.037 1.00 0.00 C ATOM 131 NZ LYS A 9 10.239 -1.382 6.701 1.00 0.00 N ATOM 0 H LYS A 9 8.283 3.815 2.719 1.00 0.00 H new ATOM 0 HA LYS A 9 9.758 1.415 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.199 3.234 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.647 2.440 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.256 0.935 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.520 1.837 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.404 0.440 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.319 -0.545 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.100 -0.082 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.231 -1.490 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.593 -1.900 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.094 -2.046 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.933 -0.660 6.421 1.00 0.00 H new ATOM 145 N GLN A 10 6.471 0.970 2.808 1.00 0.00 N ATOM 146 CA GLN A 10 5.414 -0.004 2.565 1.00 0.00 C ATOM 147 C GLN A 10 5.470 -0.518 1.120 1.00 0.00 C ATOM 148 O GLN A 10 5.312 -1.714 0.906 1.00 0.00 O ATOM 149 CB GLN A 10 4.036 0.590 2.904 1.00 0.00 C ATOM 150 CG GLN A 10 3.757 0.733 4.412 1.00 0.00 C ATOM 151 CD GLN A 10 4.511 1.867 5.105 1.00 0.00 C ATOM 152 OE1 GLN A 10 5.139 2.704 4.472 1.00 0.00 O ATOM 153 NE2 GLN A 10 4.471 1.924 6.427 1.00 0.00 N ATOM 0 H GLN A 10 6.118 1.895 3.055 1.00 0.00 H new ATOM 0 HA GLN A 10 5.573 -0.858 3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.952 1.571 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.264 -0.040 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.688 0.888 4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.012 -0.206 4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.946 1.224 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.965 2.668 6.921 1.00 0.00 H new ATOM 162 N ALA A 11 5.758 0.347 0.140 1.00 0.00 N ATOM 163 CA ALA A 11 6.040 -0.037 -1.241 1.00 0.00 C ATOM 164 C ALA A 11 7.176 -1.049 -1.337 1.00 0.00 C ATOM 165 O ALA A 11 7.048 -2.045 -2.044 1.00 0.00 O ATOM 166 CB ALA A 11 6.355 1.204 -2.075 1.00 0.00 C ATOM 0 H ALA A 11 5.801 1.355 0.292 1.00 0.00 H new ATOM 0 HA ALA A 11 5.147 -0.521 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.564 0.908 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.500 1.880 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.226 1.710 -1.659 1.00 0.00 H new ATOM 172 N CYS A 12 8.268 -0.827 -0.603 1.00 0.00 N ATOM 173 CA CYS A 12 9.327 -1.825 -0.509 1.00 0.00 C ATOM 174 C CYS A 12 8.791 -3.147 0.058 1.00 0.00 C ATOM 175 O CYS A 12 9.126 -4.220 -0.452 1.00 0.00 O ATOM 176 CB CYS A 12 10.507 -1.301 0.313 1.00 0.00 C ATOM 177 SG CYS A 12 11.397 -0.028 -0.627 1.00 0.00 S ATOM 0 H CYS A 12 8.439 0.027 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 12 9.691 -2.023 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.149 -0.886 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.181 -2.121 0.561 1.00 0.00 H new ATOM 0 HG CYS A 12 12.396 0.413 0.078 1.00 0.00 H new ATOM 182 N GLU A 13 7.931 -3.089 1.083 1.00 0.00 N ATOM 183 CA GLU A 13 7.310 -4.282 1.649 1.00 0.00 C ATOM 184 C GLU A 13 6.393 -5.001 0.662 1.00 0.00 C ATOM 185 O GLU A 13 6.197 -6.197 0.842 1.00 0.00 O ATOM 186 CB GLU A 13 6.543 -4.013 2.955 1.00 0.00 C ATOM 187 CG GLU A 13 7.368 -3.357 4.068 1.00 0.00 C ATOM 188 CD GLU A 13 8.688 -4.072 4.365 1.00 0.00 C ATOM 189 OE1 GLU A 13 8.674 -5.320 4.435 1.00 0.00 O ATOM 190 OE2 GLU A 13 9.702 -3.353 4.513 1.00 0.00 O ATOM 0 H GLU A 13 7.651 -2.219 1.536 1.00 0.00 H new ATOM 0 HA GLU A 13 8.152 -4.934 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.689 -3.374 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.146 -4.958 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.580 -2.325 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.770 -3.325 4.979 1.00 0.00 H new ATOM 197 N ILE A 14 5.868 -4.356 -0.389 1.00 0.00 N ATOM 198 CA ILE A 14 5.123 -5.057 -1.426 1.00 0.00 C ATOM 199 C ILE A 14 6.019 -6.105 -2.069 1.00 0.00 C ATOM 200 O ILE A 14 5.648 -7.276 -2.181 1.00 0.00 O ATOM 201 CB ILE A 14 4.586 -4.096 -2.492 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.721 -2.960 -1.946 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.833 -4.852 -3.593 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.435 -3.377 -1.260 1.00 0.00 C ATOM 0 H ILE A 14 5.949 -3.350 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 14 4.263 -5.538 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 14 5.473 -3.622 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.317 -2.384 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.470 -2.292 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.464 -4.143 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.507 -5.562 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.992 -5.390 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.904 -2.491 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.808 -3.924 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.668 -4.017 -0.409 1.00 0.00 H new ATOM 216 N GLN A 15 7.207 -5.658 -2.482 1.00 0.00 N ATOM 217 CA GLN A 15 8.191 -6.525 -3.087 1.00 0.00 C ATOM 218 C GLN A 15 8.570 -7.594 -2.076 1.00 0.00 C ATOM 219 O GLN A 15 8.403 -8.782 -2.330 1.00 0.00 O ATOM 220 CB GLN A 15 9.409 -5.724 -3.585 1.00 0.00 C ATOM 221 CG GLN A 15 9.233 -5.251 -5.035 1.00 0.00 C ATOM 222 CD GLN A 15 9.379 -6.383 -6.062 1.00 0.00 C ATOM 223 OE1 GLN A 15 9.231 -7.562 -5.757 1.00 0.00 O ATOM 224 NE2 GLN A 15 9.677 -6.045 -7.309 1.00 0.00 N ATOM 0 H GLN A 15 7.503 -4.685 -2.402 1.00 0.00 H new ATOM 0 HA GLN A 15 7.774 -7.009 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.564 -4.860 -2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.304 -6.342 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.249 -4.794 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.970 -4.477 -5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.799 -5.063 -7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.784 -6.767 -8.021 1.00 0.00 H new ATOM 233 N LYS A 16 9.017 -7.192 -0.891 1.00 0.00 N ATOM 234 CA LYS A 16 9.555 -8.160 0.050 1.00 0.00 C ATOM 235 C LYS A 16 8.475 -9.123 0.541 1.00 0.00 C ATOM 236 O LYS A 16 8.804 -10.270 0.834 1.00 0.00 O ATOM 237 CB LYS A 16 10.180 -7.415 1.234 1.00 0.00 C ATOM 238 CG LYS A 16 11.366 -6.515 0.830 1.00 0.00 C ATOM 239 CD LYS A 16 11.480 -5.282 1.738 1.00 0.00 C ATOM 240 CE LYS A 16 11.727 -5.624 3.212 1.00 0.00 C ATOM 241 NZ LYS A 16 13.020 -6.303 3.419 1.00 0.00 N ATOM 0 H LYS A 16 9.017 -6.225 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 16 10.315 -8.753 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.416 -6.804 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.519 -8.141 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.291 -7.089 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.244 -6.195 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.293 -4.651 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.564 -4.697 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.700 -4.709 3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.921 -6.262 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.166 -6.469 4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.018 -7.213 2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.788 -5.706 3.052 1.00 0.00 H new ATOM 255 N CYS A 17 7.199 -8.711 0.575 1.00 0.00 N ATOM 256 CA CYS A 17 6.090 -9.621 0.798 1.00 0.00 C ATOM 257 C CYS A 17 6.127 -10.715 -0.256 1.00 0.00 C ATOM 258 O CYS A 17 6.093 -11.885 0.105 1.00 0.00 O ATOM 259 CB CYS A 17 4.747 -8.893 0.758 1.00 0.00 C ATOM 260 SG CYS A 17 3.285 -9.974 0.749 1.00 0.00 S ATOM 0 H CYS A 17 6.918 -7.739 0.448 1.00 0.00 H new ATOM 0 HA CYS A 17 6.193 -10.057 1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.685 -8.230 1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.719 -8.263 -0.131 1.00 0.00 H new ATOM 262 N LEU A 18 6.212 -10.351 -1.538 1.00 0.00 N ATOM 263 CA LEU A 18 6.296 -11.295 -2.634 1.00 0.00 C ATOM 264 C LEU A 18 7.476 -12.239 -2.443 1.00 0.00 C ATOM 265 O LEU A 18 7.297 -13.454 -2.555 1.00 0.00 O ATOM 266 CB LEU A 18 6.351 -10.537 -3.977 1.00 0.00 C ATOM 267 CG LEU A 18 5.021 -10.655 -4.733 1.00 0.00 C ATOM 268 CD1 LEU A 18 4.127 -9.456 -4.401 1.00 0.00 C ATOM 269 CD2 LEU A 18 5.218 -10.686 -6.254 1.00 0.00 C ATOM 0 H LEU A 18 6.224 -9.376 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 18 5.401 -11.917 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.578 -9.486 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.158 -10.936 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 18 4.561 -11.592 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.184 -9.545 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.931 -9.434 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.629 -8.535 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.248 -10.770 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.709 -9.768 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.837 -11.542 -6.523 1.00 0.00 H new ATOM 281 N GLN A 19 8.651 -11.700 -2.102 1.00 0.00 N ATOM 282 CA GLN A 19 9.825 -12.499 -1.785 1.00 0.00 C ATOM 283 C GLN A 19 9.548 -13.482 -0.639 1.00 0.00 C ATOM 284 O GLN A 19 9.877 -14.661 -0.756 1.00 0.00 O ATOM 285 CB GLN A 19 11.059 -11.607 -1.564 1.00 0.00 C ATOM 286 CG GLN A 19 11.660 -11.016 -2.860 1.00 0.00 C ATOM 287 CD GLN A 19 11.048 -9.712 -3.388 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.483 -8.636 -2.997 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.087 -9.762 -4.313 1.00 0.00 N ATOM 0 H GLN A 19 8.809 -10.694 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 19 10.062 -13.124 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.786 -10.788 -0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.827 -12.189 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.723 -10.846 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.578 -11.769 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.732 -10.664 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.708 -8.899 -4.701 1.00 0.00 H new ATOM 298 N ALA A 20 8.886 -13.031 0.427 1.00 0.00 N ATOM 299 CA ALA A 20 8.494 -13.850 1.564 1.00 0.00 C ATOM 300 C ALA A 20 7.341 -14.832 1.272 1.00 0.00 C ATOM 301 O ALA A 20 7.120 -15.739 2.071 1.00 0.00 O ATOM 302 CB ALA A 20 8.116 -12.917 2.724 1.00 0.00 C ATOM 0 H ALA A 20 8.601 -12.056 0.521 1.00 0.00 H new ATOM 0 HA ALA A 20 9.347 -14.479 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.819 -13.512 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.974 -12.298 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.287 -12.277 2.421 1.00 0.00 H new ATOM 308 N ASN A 21 6.607 -14.678 0.160 1.00 0.00 N ATOM 309 CA ASN A 21 5.353 -15.387 -0.108 1.00 0.00 C ATOM 310 C ASN A 21 5.397 -16.231 -1.384 1.00 0.00 C ATOM 311 O ASN A 21 4.337 -16.654 -1.839 1.00 0.00 O ATOM 312 CB ASN A 21 4.172 -14.400 -0.103 1.00 0.00 C ATOM 313 CG ASN A 21 3.760 -14.047 1.322 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.922 -14.709 1.917 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.354 -13.016 1.898 1.00 0.00 N ATOM 0 H ASN A 21 6.877 -14.043 -0.592 1.00 0.00 H new ATOM 0 HA ASN A 21 5.207 -16.103 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.449 -13.493 -0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.326 -14.838 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.116 -12.760 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.051 -12.476 1.384 1.00 0.00 H new ATOM 322 N SER A 22 6.571 -16.505 -1.983 1.00 0.00 N ATOM 323 CA SER A 22 6.657 -17.275 -3.223 1.00 0.00 C ATOM 324 C SER A 22 5.902 -16.554 -4.341 1.00 0.00 C ATOM 325 O SER A 22 5.289 -17.180 -5.204 1.00 0.00 O ATOM 326 CB SER A 22 6.212 -18.730 -3.022 1.00 0.00 C ATOM 327 OG SER A 22 6.921 -19.308 -1.945 1.00 0.00 O ATOM 0 H SER A 22 7.474 -16.199 -1.620 1.00 0.00 H new ATOM 0 HA SER A 22 7.701 -17.337 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.141 -18.767 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.388 -19.302 -3.933 1.00 0.00 H new ATOM 0 HG SER A 22 6.630 -20.236 -1.822 1.00 0.00 H new ATOM 333 N TYR A 23 5.975 -15.218 -4.313 1.00 0.00 N ATOM 334 CA TYR A 23 5.557 -14.307 -5.365 1.00 0.00 C ATOM 335 C TYR A 23 4.048 -14.302 -5.606 1.00 0.00 C ATOM 336 O TYR A 23 3.553 -13.774 -6.602 1.00 0.00 O ATOM 337 CB TYR A 23 6.472 -14.547 -6.569 1.00 0.00 C ATOM 338 CG TYR A 23 7.923 -14.495 -6.120 1.00 0.00 C ATOM 339 CD1 TYR A 23 8.453 -13.259 -5.726 1.00 0.00 C ATOM 340 CD2 TYR A 23 8.635 -15.674 -5.813 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.675 -13.189 -5.066 1.00 0.00 C ATOM 342 CE2 TYR A 23 9.910 -15.610 -5.227 1.00 0.00 C ATOM 343 CZ TYR A 23 10.446 -14.357 -4.858 1.00 0.00 C ATOM 344 OH TYR A 23 11.644 -14.282 -4.213 1.00 0.00 O ATOM 0 H TYR A 23 6.351 -14.723 -3.504 1.00 0.00 H new ATOM 0 HA TYR A 23 5.693 -13.266 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.254 -15.516 -7.018 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.290 -13.793 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.907 -12.352 -5.937 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.195 -16.636 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.038 -12.236 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.477 -16.514 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 23 12.041 -15.176 -4.155 1.00 0.00 H new ATOM 354 N MET A 24 3.314 -14.836 -4.629 1.00 0.00 N ATOM 355 CA MET A 24 1.878 -14.847 -4.550 1.00 0.00 C ATOM 356 C MET A 24 1.393 -13.439 -4.230 1.00 0.00 C ATOM 357 O MET A 24 1.173 -13.079 -3.075 1.00 0.00 O ATOM 358 CB MET A 24 1.419 -15.883 -3.514 1.00 0.00 C ATOM 359 CG MET A 24 1.865 -17.289 -3.924 1.00 0.00 C ATOM 360 SD MET A 24 0.977 -18.633 -3.089 1.00 0.00 S ATOM 361 CE MET A 24 1.914 -18.712 -1.541 1.00 0.00 C ATOM 0 H MET A 24 3.747 -15.298 -3.829 1.00 0.00 H new ATOM 0 HA MET A 24 1.440 -15.143 -5.503 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.832 -15.635 -2.536 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.334 -15.853 -3.418 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.735 -17.398 -5.001 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.931 -17.393 -3.720 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.379 -19.334 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.897 -19.143 -1.732 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.031 -17.707 -1.135 1.00 0.00 H new ATOM 371 N GLU A 25 1.180 -12.644 -5.276 1.00 0.00 N ATOM 372 CA GLU A 25 0.531 -11.337 -5.191 1.00 0.00 C ATOM 373 C GLU A 25 -0.826 -11.453 -4.468 1.00 0.00 C ATOM 374 O GLU A 25 -1.241 -10.518 -3.787 1.00 0.00 O ATOM 375 CB GLU A 25 0.368 -10.794 -6.630 1.00 0.00 C ATOM 376 CG GLU A 25 0.786 -9.334 -6.811 1.00 0.00 C ATOM 377 CD GLU A 25 0.031 -8.383 -5.890 1.00 0.00 C ATOM 378 OE1 GLU A 25 -1.076 -7.961 -6.290 1.00 0.00 O ATOM 379 OE2 GLU A 25 0.574 -8.117 -4.795 1.00 0.00 O ATOM 0 H GLU A 25 1.459 -12.895 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 25 1.138 -10.644 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.957 -11.413 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.675 -10.899 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.856 -9.241 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.618 -9.039 -7.847 1.00 0.00 H new ATOM 386 N SER A 26 -1.472 -12.621 -4.545 1.00 0.00 N ATOM 387 CA SER A 26 -2.665 -13.018 -3.808 1.00 0.00 C ATOM 388 C SER A 26 -2.493 -12.938 -2.284 1.00 0.00 C ATOM 389 O SER A 26 -3.435 -12.574 -1.585 1.00 0.00 O ATOM 390 CB SER A 26 -3.020 -14.456 -4.205 1.00 0.00 C ATOM 391 OG SER A 26 -2.874 -14.646 -5.602 1.00 0.00 O ATOM 0 H SER A 26 -1.149 -13.361 -5.168 1.00 0.00 H new ATOM 0 HA SER A 26 -3.461 -12.320 -4.067 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.377 -15.155 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.046 -14.676 -3.909 1.00 0.00 H new ATOM 0 HG SER A 26 -3.104 -15.570 -5.832 1.00 0.00 H new ATOM 397 N LYS A 27 -1.303 -13.254 -1.755 1.00 0.00 N ATOM 398 CA LYS A 27 -0.957 -13.030 -0.358 1.00 0.00 C ATOM 399 C LYS A 27 -0.752 -11.535 -0.134 1.00 0.00 C ATOM 400 O LYS A 27 -1.232 -10.966 0.849 1.00 0.00 O ATOM 401 CB LYS A 27 0.330 -13.787 0.024 1.00 0.00 C ATOM 402 CG LYS A 27 0.244 -15.319 -0.093 1.00 0.00 C ATOM 403 CD LYS A 27 -0.260 -15.974 1.198 1.00 0.00 C ATOM 404 CE LYS A 27 -0.336 -17.501 1.083 1.00 0.00 C ATOM 405 NZ LYS A 27 -1.299 -17.945 0.058 1.00 0.00 N ATOM 0 H LYS A 27 -0.550 -13.677 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.768 -13.401 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.143 -13.434 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.593 -13.530 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.422 -15.581 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.228 -15.718 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.402 -15.706 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.247 -15.580 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.652 -17.893 0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.619 -17.921 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.413 -18.977 0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.218 -17.486 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.946 -17.685 -0.885 1.00 0.00 H new ATOM 419 N CYS A 28 -0.051 -10.883 -1.068 1.00 0.00 N ATOM 420 CA CYS A 28 0.407 -9.521 -0.926 1.00 0.00 C ATOM 421 C CYS A 28 -0.722 -8.489 -1.055 1.00 0.00 C ATOM 422 O CYS A 28 -0.485 -7.302 -0.853 1.00 0.00 O ATOM 423 CB CYS A 28 1.635 -9.377 -1.822 1.00 0.00 C ATOM 424 SG CYS A 28 2.954 -10.486 -1.217 1.00 0.00 S ATOM 0 H CYS A 28 0.213 -11.307 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 28 0.734 -9.288 0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.379 -9.625 -2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.983 -8.344 -1.820 1.00 0.00 H new ATOM 426 N GLN A 29 -1.973 -8.926 -1.248 1.00 0.00 N ATOM 427 CA GLN A 29 -3.146 -8.071 -1.083 1.00 0.00 C ATOM 428 C GLN A 29 -3.149 -7.450 0.328 1.00 0.00 C ATOM 429 O GLN A 29 -3.568 -6.305 0.492 1.00 0.00 O ATOM 430 CB GLN A 29 -4.445 -8.863 -1.318 1.00 0.00 C ATOM 431 CG GLN A 29 -4.520 -9.594 -2.668 1.00 0.00 C ATOM 432 CD GLN A 29 -4.342 -8.669 -3.866 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.249 -7.926 -4.224 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.184 -8.713 -4.501 1.00 0.00 N ATOM 0 H GLN A 29 -2.196 -9.883 -1.523 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.097 -7.275 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.557 -9.595 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.290 -8.178 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.752 -10.367 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.483 -10.098 -2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.449 -9.342 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.025 -8.118 -5.314 1.00 0.00 H new ATOM 443 N ALA A 30 -2.615 -8.171 1.331 1.00 0.00 N ATOM 444 CA ALA A 30 -2.414 -7.677 2.688 1.00 0.00 C ATOM 445 C ALA A 30 -1.532 -6.434 2.710 1.00 0.00 C ATOM 446 O ALA A 30 -1.872 -5.415 3.304 1.00 0.00 O ATOM 447 CB ALA A 30 -1.721 -8.755 3.527 1.00 0.00 C ATOM 0 H ALA A 30 -2.307 -9.136 1.208 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.395 -7.428 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.571 -8.386 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.343 -9.650 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.756 -8.998 3.082 1.00 0.00 H new ATOM 453 N VAL A 31 -0.355 -6.535 2.098 1.00 0.00 N ATOM 454 CA VAL A 31 0.635 -5.484 2.125 1.00 0.00 C ATOM 455 C VAL A 31 0.232 -4.351 1.174 1.00 0.00 C ATOM 456 O VAL A 31 0.591 -3.201 1.417 1.00 0.00 O ATOM 457 CB VAL A 31 2.003 -6.127 1.878 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.155 -6.628 0.454 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.173 -5.244 2.256 1.00 0.00 C ATOM 0 H VAL A 31 -0.068 -7.358 1.568 1.00 0.00 H new ATOM 0 HA VAL A 31 0.702 -4.989 3.094 1.00 0.00 H new ATOM 0 HB VAL A 31 2.029 -6.985 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.141 -7.075 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.389 -7.375 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.044 -5.794 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.106 -5.769 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.139 -4.325 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.118 -5.001 3.317 1.00 0.00 H new ATOM 469 N ILE A 32 -0.583 -4.629 0.143 1.00 0.00 N ATOM 470 CA ILE A 32 -1.215 -3.593 -0.644 1.00 0.00 C ATOM 471 C ILE A 32 -2.126 -2.817 0.308 1.00 0.00 C ATOM 472 O ILE A 32 -1.996 -1.601 0.395 1.00 0.00 O ATOM 473 CB ILE A 32 -1.935 -4.186 -1.878 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.903 -4.796 -2.860 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.775 -3.131 -2.632 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.471 -5.896 -3.762 1.00 0.00 C ATOM 0 H ILE A 32 -0.812 -5.577 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.488 -2.904 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.609 -4.958 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.499 -4.000 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.070 -5.205 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.260 -3.597 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.533 -2.724 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.125 -2.326 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.685 -6.270 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.849 -6.712 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.284 -5.489 -4.364 1.00 0.00 H new ATOM 488 N GLN A 33 -2.969 -3.496 1.095 1.00 0.00 N ATOM 489 CA GLN A 33 -3.789 -2.858 2.102 1.00 0.00 C ATOM 490 C GLN A 33 -2.928 -2.047 3.087 1.00 0.00 C ATOM 491 O GLN A 33 -3.377 -1.018 3.589 1.00 0.00 O ATOM 492 CB GLN A 33 -4.591 -3.956 2.816 1.00 0.00 C ATOM 493 CG GLN A 33 -5.931 -3.469 3.346 1.00 0.00 C ATOM 494 CD GLN A 33 -6.879 -2.930 2.275 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.588 -1.957 2.497 1.00 0.00 O ATOM 496 NE2 GLN A 33 -6.906 -3.528 1.089 1.00 0.00 N ATOM 0 H GLN A 33 -3.094 -4.507 1.042 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.472 -2.146 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.759 -4.782 2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.001 -4.348 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.422 -4.291 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.753 -2.686 4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.312 -4.338 0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.521 -3.177 0.355 1.00 0.00 H new ATOM 505 N GLU A 34 -1.676 -2.453 3.334 1.00 0.00 N ATOM 506 CA GLU A 34 -0.764 -1.697 4.164 1.00 0.00 C ATOM 507 C GLU A 34 -0.285 -0.408 3.479 1.00 0.00 C ATOM 508 O GLU A 34 -0.287 0.646 4.118 1.00 0.00 O ATOM 509 CB GLU A 34 0.396 -2.602 4.593 1.00 0.00 C ATOM 510 CG GLU A 34 1.151 -1.899 5.703 1.00 0.00 C ATOM 511 CD GLU A 34 2.321 -2.742 6.208 1.00 0.00 C ATOM 512 OE1 GLU A 34 3.384 -2.693 5.551 1.00 0.00 O ATOM 513 OE2 GLU A 34 2.133 -3.421 7.240 1.00 0.00 O ATOM 0 H GLU A 34 -1.279 -3.315 2.959 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.293 -1.366 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.021 -3.565 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.057 -2.801 3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.522 -0.940 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.472 -1.687 6.528 1.00 0.00 H new ATOM 520 N LEU A 35 0.084 -0.454 2.189 1.00 0.00 N ATOM 521 CA LEU A 35 0.388 0.753 1.426 1.00 0.00 C ATOM 522 C LEU A 35 -0.831 1.664 1.396 1.00 0.00 C ATOM 523 O LEU A 35 -0.680 2.875 1.441 1.00 0.00 O ATOM 524 CB LEU A 35 0.885 0.465 -0.002 1.00 0.00 C ATOM 525 CG LEU A 35 2.307 0.890 -0.350 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.586 0.680 -1.839 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.555 2.371 -0.064 1.00 0.00 C ATOM 0 H LEU A 35 0.177 -1.319 1.657 1.00 0.00 H new ATOM 0 HA LEU A 35 1.212 1.252 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.802 -0.608 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.207 0.956 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 35 2.960 0.276 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.606 0.990 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.463 -0.374 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.887 1.275 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.581 2.626 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.868 2.976 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.393 2.569 0.996 1.00 0.00 H new ATOM 539 N ARG A 36 -2.031 1.087 1.380 1.00 0.00 N ATOM 540 CA ARG A 36 -3.311 1.775 1.390 1.00 0.00 C ATOM 541 C ARG A 36 -3.473 2.587 2.666 1.00 0.00 C ATOM 542 O ARG A 36 -3.664 3.799 2.627 1.00 0.00 O ATOM 543 CB ARG A 36 -4.402 0.706 1.283 1.00 0.00 C ATOM 544 CG ARG A 36 -5.491 1.041 0.286 1.00 0.00 C ATOM 545 CD ARG A 36 -6.101 -0.286 -0.175 1.00 0.00 C ATOM 546 NE ARG A 36 -7.308 -0.120 -0.987 1.00 0.00 N ATOM 547 CZ ARG A 36 -8.590 -0.113 -0.585 1.00 0.00 C ATOM 548 NH1 ARG A 36 -8.940 -0.461 0.654 1.00 0.00 N ATOM 549 NH2 ARG A 36 -9.564 0.243 -1.427 1.00 0.00 N ATOM 0 H ARG A 36 -2.137 0.073 1.359 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.379 2.473 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.943 -0.241 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.853 0.561 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.250 1.676 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.082 1.592 -0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.358 -0.838 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.341 -0.891 0.700 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.156 0.007 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.226 -0.742 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.922 -0.446 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.337 0.513 -2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.534 0.245 -1.113 1.00 0.00 H new ATOM 563 N LYS A 37 -3.368 1.897 3.801 1.00 0.00 N ATOM 564 CA LYS A 37 -3.498 2.475 5.134 1.00 0.00 C ATOM 565 C LYS A 37 -2.401 3.502 5.390 1.00 0.00 C ATOM 566 O LYS A 37 -2.654 4.521 6.039 1.00 0.00 O ATOM 567 CB LYS A 37 -3.443 1.362 6.189 1.00 0.00 C ATOM 568 CG LYS A 37 -4.691 0.464 6.173 1.00 0.00 C ATOM 569 CD LYS A 37 -4.410 -0.894 6.827 1.00 0.00 C ATOM 570 CE LYS A 37 -4.116 -0.754 8.324 1.00 0.00 C ATOM 571 NZ LYS A 37 -3.856 -2.064 8.947 1.00 0.00 N ATOM 0 H LYS A 37 -3.185 0.894 3.817 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.459 2.985 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.558 0.749 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.335 1.809 7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.506 0.961 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.020 0.314 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.268 -1.551 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.562 -1.367 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.253 -0.104 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.961 -0.276 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.661 -1.934 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.689 -2.675 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.034 -2.509 8.490 1.00 0.00 H new ATOM 585 N CYS A 38 -1.197 3.251 4.864 1.00 0.00 N ATOM 586 CA CYS A 38 -0.146 4.242 4.847 1.00 0.00 C ATOM 587 C CYS A 38 -0.585 5.437 4.015 1.00 0.00 C ATOM 588 O CYS A 38 -0.468 6.568 4.459 1.00 0.00 O ATOM 589 CB CYS A 38 1.150 3.660 4.284 1.00 0.00 C ATOM 590 SG CYS A 38 2.482 4.894 4.265 1.00 0.00 S ATOM 0 H CYS A 38 -0.937 2.358 4.444 1.00 0.00 H new ATOM 0 HA CYS A 38 0.045 4.561 5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.456 2.803 4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.976 3.295 3.272 1.00 0.00 H new ATOM 592 N CYS A 39 -1.070 5.203 2.801 1.00 0.00 N ATOM 593 CA CYS A 39 -1.332 6.251 1.836 1.00 0.00 C ATOM 594 C CYS A 39 -2.414 7.198 2.316 1.00 0.00 C ATOM 595 O CYS A 39 -2.233 8.415 2.340 1.00 0.00 O ATOM 596 CB CYS A 39 -1.714 5.587 0.531 1.00 0.00 C ATOM 597 SG CYS A 39 -2.056 6.677 -0.854 1.00 0.00 S ATOM 0 H CYS A 39 -1.293 4.268 2.460 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.440 6.862 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.908 4.912 0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.597 4.972 0.707 1.00 0.00 H new ATOM 599 N ALA A 40 -3.517 6.608 2.767 1.00 0.00 N ATOM 600 CA ALA A 40 -4.690 7.310 3.233 1.00 0.00 C ATOM 601 C ALA A 40 -4.430 8.060 4.545 1.00 0.00 C ATOM 602 O ALA A 40 -5.334 8.722 5.051 1.00 0.00 O ATOM 603 CB ALA A 40 -5.845 6.313 3.376 1.00 0.00 C ATOM 0 H ALA A 40 -3.614 5.594 2.816 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.958 8.070 2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.735 6.835 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.052 5.854 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.571 5.539 4.093 1.00 0.00 H new ATOM 609 N GLN A 41 -3.213 7.981 5.102 1.00 0.00 N ATOM 610 CA GLN A 41 -2.809 8.743 6.251 1.00 0.00 C ATOM 611 C GLN A 41 -2.424 10.174 5.853 1.00 0.00 C ATOM 612 O GLN A 41 -2.168 10.992 6.735 1.00 0.00 O ATOM 613 CB GLN A 41 -1.628 7.991 6.865 1.00 0.00 C ATOM 614 CG GLN A 41 -1.640 7.925 8.369 1.00 0.00 C ATOM 615 CD GLN A 41 -2.808 7.129 8.963 1.00 0.00 C ATOM 616 OE1 GLN A 41 -3.347 7.505 9.997 1.00 0.00 O ATOM 617 NE2 GLN A 41 -3.233 6.020 8.362 1.00 0.00 N ATOM 0 H GLN A 41 -2.480 7.368 4.745 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.622 8.841 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.616 6.975 6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.703 8.469 6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.704 7.480 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.671 8.940 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.787 5.704 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.005 5.487 8.762 1.00 0.00 H new ATOM 626 N TYR A 42 -2.359 10.475 4.545 1.00 0.00 N ATOM 627 CA TYR A 42 -1.792 11.694 4.018 1.00 0.00 C ATOM 628 C TYR A 42 -2.557 12.216 2.799 1.00 0.00 C ATOM 629 O TYR A 42 -3.244 11.445 2.128 1.00 0.00 O ATOM 630 CB TYR A 42 -0.353 11.418 3.565 1.00 0.00 C ATOM 631 CG TYR A 42 0.569 10.853 4.618 1.00 0.00 C ATOM 632 CD1 TYR A 42 0.659 9.463 4.773 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.337 11.697 5.433 1.00 0.00 C ATOM 634 CE1 TYR A 42 1.564 8.895 5.676 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.233 11.144 6.362 1.00 0.00 C ATOM 636 CZ TYR A 42 2.362 9.740 6.484 1.00 0.00 C ATOM 637 OH TYR A 42 3.238 9.219 7.385 1.00 0.00 O ATOM 0 H TYR A 42 -2.713 9.851 3.820 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.842 12.440 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.383 10.724 2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.076 12.349 3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.020 8.820 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.240 12.769 5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.653 7.822 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.827 11.794 6.987 1.00 0.00 H new ATOM 0 HH TYR A 42 3.701 9.947 7.850 1.00 0.00 H new ATOM 647 N PRO A 43 -2.388 13.504 2.449 1.00 0.00 N ATOM 648 CA PRO A 43 -2.800 14.006 1.147 1.00 0.00 C ATOM 649 C PRO A 43 -1.834 13.363 0.141 1.00 0.00 C ATOM 650 O PRO A 43 -0.648 13.683 0.151 1.00 0.00 O ATOM 651 CB PRO A 43 -2.673 15.532 1.239 1.00 0.00 C ATOM 652 CG PRO A 43 -1.598 15.753 2.309 1.00 0.00 C ATOM 653 CD PRO A 43 -1.765 14.555 3.246 1.00 0.00 C ATOM 0 HA PRO A 43 -3.819 13.769 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.379 15.966 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.619 15.995 1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.600 15.784 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.745 16.696 2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.801 14.229 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.386 14.814 4.104 1.00 0.00 H new ATOM 661 N LYS A 44 -2.316 12.430 -0.691 1.00 0.00 N ATOM 662 CA LYS A 44 -1.492 11.527 -1.507 1.00 0.00 C ATOM 663 C LYS A 44 -0.283 12.121 -2.236 1.00 0.00 C ATOM 664 O LYS A 44 0.725 11.427 -2.344 1.00 0.00 O ATOM 665 CB LYS A 44 -2.352 10.655 -2.438 1.00 0.00 C ATOM 666 CG LYS A 44 -2.964 11.329 -3.677 1.00 0.00 C ATOM 667 CD LYS A 44 -4.037 12.379 -3.347 1.00 0.00 C ATOM 668 CE LYS A 44 -4.863 12.773 -4.576 1.00 0.00 C ATOM 669 NZ LYS A 44 -5.690 11.654 -5.065 1.00 0.00 N ATOM 0 H LYS A 44 -3.317 12.278 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.017 10.901 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.739 9.820 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.166 10.234 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.168 11.804 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.403 10.563 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.701 11.987 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.558 13.267 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.506 13.617 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.195 13.105 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.645 12.000 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.258 11.251 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.752 10.921 -4.330 1.00 0.00 H new ATOM 683 N GLY A 45 -0.318 13.397 -2.643 1.00 0.00 N ATOM 684 CA GLY A 45 0.831 14.110 -3.207 1.00 0.00 C ATOM 685 C GLY A 45 2.076 14.107 -2.304 1.00 0.00 C ATOM 686 O GLY A 45 3.177 14.353 -2.789 1.00 0.00 O ATOM 0 H GLY A 45 -1.160 13.970 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.089 13.660 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.542 15.142 -3.407 1.00 0.00 H new ATOM 690 N ARG A 46 1.924 13.784 -1.012 1.00 0.00 N ATOM 691 CA ARG A 46 2.977 13.494 -0.051 1.00 0.00 C ATOM 692 C ARG A 46 3.917 12.389 -0.552 1.00 0.00 C ATOM 693 O ARG A 46 5.075 12.343 -0.139 1.00 0.00 O ATOM 694 CB ARG A 46 2.232 13.050 1.221 1.00 0.00 C ATOM 695 CG ARG A 46 3.078 12.616 2.420 1.00 0.00 C ATOM 696 CD ARG A 46 3.419 13.766 3.369 1.00 0.00 C ATOM 697 NE ARG A 46 4.014 13.255 4.617 1.00 0.00 N ATOM 698 CZ ARG A 46 4.837 13.920 5.438 1.00 0.00 C ATOM 699 NH1 ARG A 46 5.262 15.143 5.128 1.00 0.00 N ATOM 700 NH2 ARG A 46 5.245 13.380 6.585 1.00 0.00 N ATOM 0 H ARG A 46 0.997 13.716 -0.591 1.00 0.00 H new ATOM 0 HA ARG A 46 3.615 14.361 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.593 13.873 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.576 12.221 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.542 11.844 2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.003 12.166 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.114 14.451 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.518 14.335 3.597 1.00 0.00 H new ATOM 0 HE ARG A 46 3.775 12.299 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.961 15.582 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.889 15.641 5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.931 12.446 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.872 13.900 7.199 1.00 0.00 H new ATOM 714 N SER A 47 3.433 11.467 -1.395 1.00 0.00 N ATOM 715 CA SER A 47 4.159 10.272 -1.754 1.00 0.00 C ATOM 716 C SER A 47 3.883 9.835 -3.185 1.00 0.00 C ATOM 717 O SER A 47 2.756 9.863 -3.679 1.00 0.00 O ATOM 718 CB SER A 47 3.826 9.201 -0.717 1.00 0.00 C ATOM 719 OG SER A 47 4.043 7.885 -1.174 1.00 0.00 O ATOM 0 H SER A 47 2.519 11.543 -1.842 1.00 0.00 H new ATOM 0 HA SER A 47 5.232 10.463 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.429 9.371 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.782 9.306 -0.421 1.00 0.00 H new ATOM 0 HG SER A 47 4.790 7.486 -0.681 1.00 0.00 H new ATOM 725 N VAL A 48 4.953 9.376 -3.829 1.00 0.00 N ATOM 726 CA VAL A 48 4.944 8.864 -5.183 1.00 0.00 C ATOM 727 C VAL A 48 4.190 7.538 -5.206 1.00 0.00 C ATOM 728 O VAL A 48 3.218 7.394 -5.944 1.00 0.00 O ATOM 729 CB VAL A 48 6.377 8.712 -5.736 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.282 8.456 -7.247 1.00 0.00 C ATOM 731 CG2 VAL A 48 7.262 9.942 -5.474 1.00 0.00 C ATOM 0 H VAL A 48 5.879 9.353 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 48 4.434 9.575 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 48 6.850 7.878 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.284 8.345 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.712 7.544 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.782 9.297 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.256 9.770 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.818 10.817 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.341 10.112 -4.400 1.00 0.00 H new ATOM 741 N VAL A 49 4.616 6.577 -4.380 1.00 0.00 N ATOM 742 CA VAL A 49 4.018 5.251 -4.335 1.00 0.00 C ATOM 743 C VAL A 49 2.529 5.361 -3.983 1.00 0.00 C ATOM 744 O VAL A 49 1.706 4.709 -4.620 1.00 0.00 O ATOM 745 CB VAL A 49 4.802 4.333 -3.372 1.00 0.00 C ATOM 746 CG1 VAL A 49 6.312 4.330 -3.648 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.662 4.744 -1.910 1.00 0.00 C ATOM 0 H VAL A 49 5.387 6.703 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 49 4.080 4.786 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 49 4.364 3.351 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.810 3.667 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.496 3.980 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.704 5.341 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.235 4.061 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.039 5.759 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.612 4.707 -1.621 1.00 0.00 H new ATOM 757 N CYS A 50 2.177 6.233 -3.028 1.00 0.00 N ATOM 758 CA CYS A 50 0.815 6.476 -2.583 1.00 0.00 C ATOM 759 C CYS A 50 0.005 7.142 -3.706 1.00 0.00 C ATOM 760 O CYS A 50 -1.168 6.821 -3.901 1.00 0.00 O ATOM 761 CB CYS A 50 0.887 7.399 -1.365 1.00 0.00 C ATOM 762 SG CYS A 50 -0.643 8.127 -0.735 1.00 0.00 S ATOM 0 H CYS A 50 2.863 6.803 -2.533 1.00 0.00 H new ATOM 0 HA CYS A 50 0.322 5.539 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.345 6.837 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.566 8.216 -1.609 1.00 0.00 H new ATOM 764 N SER A 51 0.637 8.014 -4.501 1.00 0.00 N ATOM 765 CA SER A 51 0.013 8.579 -5.687 1.00 0.00 C ATOM 766 C SER A 51 -0.244 7.499 -6.745 1.00 0.00 C ATOM 767 O SER A 51 -1.170 7.658 -7.540 1.00 0.00 O ATOM 768 CB SER A 51 0.857 9.726 -6.252 1.00 0.00 C ATOM 769 OG SER A 51 0.998 10.761 -5.299 1.00 0.00 O ATOM 0 H SER A 51 1.589 8.341 -4.336 1.00 0.00 H new ATOM 0 HA SER A 51 -0.955 8.989 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.840 9.353 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.389 10.118 -7.155 1.00 0.00 H new ATOM 0 HG SER A 51 1.662 10.499 -4.627 1.00 0.00 H new ATOM 775 N GLY A 52 0.497 6.377 -6.728 1.00 0.00 N ATOM 776 CA GLY A 52 0.135 5.215 -7.550 1.00 0.00 C ATOM 777 C GLY A 52 -1.015 4.437 -6.949 1.00 0.00 C ATOM 778 O GLY A 52 -1.771 3.746 -7.630 1.00 0.00 O ATOM 0 H GLY A 52 1.337 6.253 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.136 5.549 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.000 4.561 -7.656 1.00 0.00 H new ATOM 782 N PHE A 53 -1.116 4.544 -5.640 1.00 0.00 N ATOM 783 CA PHE A 53 -1.931 3.709 -4.831 1.00 0.00 C ATOM 784 C PHE A 53 -3.371 4.083 -4.818 1.00 0.00 C ATOM 785 O PHE A 53 -4.214 3.202 -4.858 1.00 0.00 O ATOM 786 CB PHE A 53 -1.383 3.803 -3.430 1.00 0.00 C ATOM 787 CG PHE A 53 -1.331 2.436 -2.924 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.350 1.620 -3.490 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.326 1.950 -2.079 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.309 0.280 -3.142 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.260 0.611 -1.714 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.253 -0.208 -2.233 1.00 0.00 C ATOM 0 H PHE A 53 -0.606 5.247 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.897 2.700 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.392 4.257 -3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.020 4.427 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.366 2.027 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.119 2.590 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.438 -0.376 -3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.988 0.202 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.203 -1.242 -1.925 1.00 0.00 H new ATOM 802 N GLU A 54 -3.655 5.372 -4.749 1.00 0.00 N ATOM 803 CA GLU A 54 -5.032 5.818 -4.776 1.00 0.00 C ATOM 804 C GLU A 54 -5.713 5.435 -6.098 1.00 0.00 C ATOM 805 O GLU A 54 -6.935 5.283 -6.115 1.00 0.00 O ATOM 806 CB GLU A 54 -5.169 7.279 -4.353 1.00 0.00 C ATOM 807 CG GLU A 54 -4.653 7.429 -2.905 1.00 0.00 C ATOM 808 CD GLU A 54 -5.350 8.541 -2.114 1.00 0.00 C ATOM 809 OE1 GLU A 54 -5.796 9.524 -2.750 1.00 0.00 O ATOM 810 OE2 GLU A 54 -5.396 8.409 -0.873 1.00 0.00 O ATOM 0 H GLU A 54 -2.961 6.116 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.596 5.280 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.600 7.921 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.210 7.594 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.788 6.483 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.582 7.629 -2.929 1.00 0.00 H new