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 41 GLN : amide:sc= 1.41 K(o=2.7,f=-2.3) USER MOD Set 1.2: A 42 TYR OH : rot -68:sc= 1.26 USER MOD Set 2.1: A 24 MET CE :methyl 170:sc= -0.0145 (180deg=-0.0871) USER MOD Set 2.2: A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0488) USER MOD Set 3.1: A 15 GLN : amide:sc= 0.68 K(o=1.2,f=-4) USER MOD Set 3.2: A 19 GLN : amide:sc= 0.549 K(o=1.2,f=-2.7!) USER MOD Set 4.1: A 8 GLN : amide:sc= 0.906 K(o=1.7,f=0.92) USER MOD Set 4.2: A 12 CYS SG : rot 82:sc= 0.812 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0729) USER MOD Single : A 10 GLN : amide:sc= 0.761 K(o=0.76,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.565) USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.095) 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= 0.0575 USER MOD Single : A 29 GLN : amide:sc= 1.71 K(o=1.7,f=-0.014) USER MOD Single : A 33 GLN : amide:sc= 0.363 K(o=0.36,f=-3!) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0128) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 99:sc= 1.47 USER MOD Single : A 51 SER OG : rot 98:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 9.145 10.511 0.336 1.00 0.00 N ATOM 74 CA ASP A 5 7.978 9.668 0.171 1.00 0.00 C ATOM 75 C ASP A 5 7.874 8.722 1.375 1.00 0.00 C ATOM 76 O ASP A 5 8.578 7.712 1.387 1.00 0.00 O ATOM 77 CB ASP A 5 8.069 8.939 -1.180 1.00 0.00 C ATOM 78 CG ASP A 5 6.792 8.176 -1.530 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.108 7.669 -0.611 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.456 8.136 -2.733 1.00 0.00 O ATOM 0 HA ASP A 5 7.059 10.254 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.280 9.665 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.907 8.243 -1.156 1.00 0.00 H new ATOM 85 N PRO A 6 7.029 9.008 2.390 1.00 0.00 N ATOM 86 CA PRO A 6 6.962 8.234 3.633 1.00 0.00 C ATOM 87 C PRO A 6 6.677 6.751 3.377 1.00 0.00 C ATOM 88 O PRO A 6 7.199 5.871 4.054 1.00 0.00 O ATOM 89 CB PRO A 6 5.817 8.845 4.452 1.00 0.00 C ATOM 90 CG PRO A 6 5.622 10.230 3.847 1.00 0.00 C ATOM 91 CD PRO A 6 5.970 10.003 2.383 1.00 0.00 C ATOM 0 HA PRO A 6 7.919 8.279 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.909 8.246 4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.072 8.905 5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.599 10.586 3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.275 10.970 4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.104 9.651 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.302 10.927 1.910 1.00 0.00 H new ATOM 99 N CYS A 7 5.853 6.505 2.359 1.00 0.00 N ATOM 100 CA CYS A 7 5.243 5.237 2.043 1.00 0.00 C ATOM 101 C CYS A 7 6.043 4.411 1.053 1.00 0.00 C ATOM 102 O CYS A 7 5.718 3.245 0.823 1.00 0.00 O ATOM 103 CB CYS A 7 3.866 5.555 1.472 1.00 0.00 C ATOM 104 SG CYS A 7 2.725 6.227 2.710 1.00 0.00 S ATOM 0 H CYS A 7 5.585 7.236 1.701 1.00 0.00 H new ATOM 0 HA CYS A 7 5.191 4.629 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.973 6.271 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.437 4.648 1.045 1.00 0.00 H new ATOM 106 N GLN A 8 7.098 4.983 0.469 1.00 0.00 N ATOM 107 CA GLN A 8 7.936 4.280 -0.470 1.00 0.00 C ATOM 108 C GLN A 8 8.604 3.063 0.204 1.00 0.00 C ATOM 109 O GLN A 8 8.884 2.072 -0.475 1.00 0.00 O ATOM 110 CB GLN A 8 8.866 5.324 -1.094 1.00 0.00 C ATOM 111 CG GLN A 8 9.979 4.740 -1.949 1.00 0.00 C ATOM 112 CD GLN A 8 9.465 4.074 -3.225 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.340 4.713 -4.261 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.138 2.790 -3.173 1.00 0.00 N ATOM 0 H GLN A 8 7.385 5.946 0.642 1.00 0.00 H new ATOM 0 HA GLN A 8 7.383 3.821 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.272 6.003 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.311 5.920 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.679 5.532 -2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.535 4.008 -1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.248 2.271 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.777 2.322 -4.004 1.00 0.00 H new ATOM 123 N LYS A 9 8.767 3.096 1.534 1.00 0.00 N ATOM 124 CA LYS A 9 9.135 1.956 2.364 1.00 0.00 C ATOM 125 C LYS A 9 8.122 0.828 2.171 1.00 0.00 C ATOM 126 O LYS A 9 8.485 -0.267 1.750 1.00 0.00 O ATOM 127 CB LYS A 9 9.181 2.409 3.834 1.00 0.00 C ATOM 128 CG LYS A 9 9.557 1.270 4.795 1.00 0.00 C ATOM 129 CD LYS A 9 9.529 1.755 6.252 1.00 0.00 C ATOM 130 CE LYS A 9 9.839 0.621 7.236 1.00 0.00 C ATOM 131 NZ LYS A 9 8.783 -0.411 7.254 1.00 0.00 N ATOM 0 H LYS A 9 8.640 3.952 2.074 1.00 0.00 H new ATOM 0 HA LYS A 9 10.117 1.581 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.903 3.219 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.208 2.811 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.863 0.439 4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.551 0.895 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.255 2.557 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.548 2.173 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.790 0.160 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.957 1.034 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.967 -1.083 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.858 0.041 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.779 -0.919 6.347 1.00 0.00 H new ATOM 145 N GLN A 10 6.850 1.094 2.479 1.00 0.00 N ATOM 146 CA GLN A 10 5.777 0.112 2.415 1.00 0.00 C ATOM 147 C GLN A 10 5.672 -0.463 1.005 1.00 0.00 C ATOM 148 O GLN A 10 5.609 -1.678 0.861 1.00 0.00 O ATOM 149 CB GLN A 10 4.444 0.733 2.853 1.00 0.00 C ATOM 150 CG GLN A 10 4.265 0.855 4.366 1.00 0.00 C ATOM 151 CD GLN A 10 5.190 1.863 5.036 1.00 0.00 C ATOM 152 OE1 GLN A 10 5.666 2.806 4.418 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.454 1.681 6.320 1.00 0.00 N ATOM 0 H GLN A 10 6.537 2.015 2.785 1.00 0.00 H new ATOM 0 HA GLN A 10 6.009 -0.701 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.357 1.725 2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.629 0.131 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.232 1.135 4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.428 -0.124 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.047 0.889 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.064 2.333 6.813 1.00 0.00 H new ATOM 162 N ALA A 11 5.712 0.394 -0.022 1.00 0.00 N ATOM 163 CA ALA A 11 5.763 0.013 -1.431 1.00 0.00 C ATOM 164 C ALA A 11 6.891 -0.971 -1.735 1.00 0.00 C ATOM 165 O ALA A 11 6.676 -1.934 -2.469 1.00 0.00 O ATOM 166 CB ALA A 11 5.893 1.262 -2.291 1.00 0.00 C ATOM 0 H ALA A 11 5.710 1.405 0.114 1.00 0.00 H new ATOM 0 HA ALA A 11 4.832 -0.503 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.931 0.977 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.034 1.911 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.807 1.793 -2.026 1.00 0.00 H new ATOM 172 N CYS A 12 8.077 -0.756 -1.155 1.00 0.00 N ATOM 173 CA CYS A 12 9.155 -1.730 -1.261 1.00 0.00 C ATOM 174 C CYS A 12 8.744 -3.059 -0.626 1.00 0.00 C ATOM 175 O CYS A 12 8.916 -4.113 -1.238 1.00 0.00 O ATOM 176 CB CYS A 12 10.457 -1.224 -0.627 1.00 0.00 C ATOM 177 SG CYS A 12 11.109 0.211 -1.518 1.00 0.00 S ATOM 0 H CYS A 12 8.308 0.077 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 12 9.344 -1.883 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.277 -0.957 0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.199 -2.023 -0.628 1.00 0.00 H new ATOM 0 HG CYS A 12 10.489 1.284 -1.125 1.00 0.00 H new ATOM 182 N GLU A 13 8.182 -3.017 0.587 1.00 0.00 N ATOM 183 CA GLU A 13 7.770 -4.222 1.293 1.00 0.00 C ATOM 184 C GLU A 13 6.684 -4.991 0.541 1.00 0.00 C ATOM 185 O GLU A 13 6.606 -6.201 0.728 1.00 0.00 O ATOM 186 CB GLU A 13 7.283 -3.934 2.726 1.00 0.00 C ATOM 187 CG GLU A 13 8.297 -3.245 3.644 1.00 0.00 C ATOM 188 CD GLU A 13 9.631 -3.992 3.708 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.720 -4.928 4.530 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.530 -3.628 2.918 1.00 0.00 O ATOM 0 H GLU A 13 8.004 -2.152 1.098 1.00 0.00 H new ATOM 0 HA GLU A 13 8.667 -4.839 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.390 -3.311 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.986 -4.876 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.470 -2.228 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.879 -3.167 4.648 1.00 0.00 H new ATOM 197 N ILE A 14 5.882 -4.351 -0.325 1.00 0.00 N ATOM 198 CA ILE A 14 4.940 -5.057 -1.183 1.00 0.00 C ATOM 199 C ILE A 14 5.682 -6.093 -2.012 1.00 0.00 C ATOM 200 O ILE A 14 5.307 -7.267 -2.015 1.00 0.00 O ATOM 201 CB ILE A 14 4.175 -4.112 -2.115 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.510 -2.917 -1.444 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.139 -4.885 -2.940 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.461 -3.222 -0.399 1.00 0.00 C ATOM 0 H ILE A 14 5.874 -3.338 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 14 4.210 -5.540 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 14 4.946 -3.688 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.288 -2.312 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.050 -2.304 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.607 -4.195 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.644 -5.641 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.429 -5.370 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.065 -2.289 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.652 -3.795 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.909 -3.802 0.408 1.00 0.00 H new ATOM 216 N GLN A 15 6.724 -5.639 -2.715 1.00 0.00 N ATOM 217 CA GLN A 15 7.519 -6.503 -3.558 1.00 0.00 C ATOM 218 C GLN A 15 8.108 -7.620 -2.714 1.00 0.00 C ATOM 219 O GLN A 15 7.865 -8.787 -3.001 1.00 0.00 O ATOM 220 CB GLN A 15 8.597 -5.715 -4.325 1.00 0.00 C ATOM 221 CG GLN A 15 8.047 -5.096 -5.618 1.00 0.00 C ATOM 222 CD GLN A 15 7.628 -6.137 -6.666 1.00 0.00 C ATOM 223 OE1 GLN A 15 7.832 -7.339 -6.510 1.00 0.00 O ATOM 224 NE2 GLN A 15 7.018 -5.695 -7.757 1.00 0.00 N ATOM 0 H GLN A 15 7.030 -4.666 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 15 6.879 -6.948 -4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.993 -4.926 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.428 -6.378 -4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.188 -4.471 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.805 -4.443 -6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.852 -4.696 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.714 -6.354 -8.474 1.00 0.00 H new ATOM 233 N LYS A 16 8.817 -7.297 -1.632 1.00 0.00 N ATOM 234 CA LYS A 16 9.484 -8.351 -0.881 1.00 0.00 C ATOM 235 C LYS A 16 8.482 -9.286 -0.211 1.00 0.00 C ATOM 236 O LYS A 16 8.775 -10.476 -0.114 1.00 0.00 O ATOM 237 CB LYS A 16 10.415 -7.775 0.196 1.00 0.00 C ATOM 238 CG LYS A 16 11.730 -7.170 -0.316 1.00 0.00 C ATOM 239 CD LYS A 16 11.566 -5.810 -0.999 1.00 0.00 C ATOM 240 CE LYS A 16 12.934 -5.174 -1.235 1.00 0.00 C ATOM 241 NZ LYS A 16 12.833 -3.975 -2.086 1.00 0.00 N ATOM 0 H LYS A 16 8.940 -6.352 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 16 10.073 -8.914 -1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.872 -7.006 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.653 -8.567 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.419 -7.063 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.188 -7.865 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.044 -5.931 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.953 -5.155 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.381 -4.906 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.598 -5.900 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.640 -3.946 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.946 -4.008 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.842 -3.124 -1.489 1.00 0.00 H new ATOM 255 N CYS A 17 7.305 -8.799 0.204 1.00 0.00 N ATOM 256 CA CYS A 17 6.226 -9.671 0.635 1.00 0.00 C ATOM 257 C CYS A 17 5.906 -10.641 -0.489 1.00 0.00 C ATOM 258 O CYS A 17 5.813 -11.840 -0.245 1.00 0.00 O ATOM 259 CB CYS A 17 4.977 -8.870 1.001 1.00 0.00 C ATOM 260 SG CYS A 17 3.488 -9.867 1.322 1.00 0.00 S ATOM 0 H CYS A 17 7.085 -7.804 0.247 1.00 0.00 H new ATOM 0 HA CYS A 17 6.544 -10.213 1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.194 -8.273 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.761 -8.173 0.192 1.00 0.00 H new ATOM 262 N LEU A 18 5.737 -10.134 -1.713 1.00 0.00 N ATOM 263 CA LEU A 18 5.440 -10.947 -2.873 1.00 0.00 C ATOM 264 C LEU A 18 6.532 -11.994 -3.084 1.00 0.00 C ATOM 265 O LEU A 18 6.205 -13.163 -3.274 1.00 0.00 O ATOM 266 CB LEU A 18 5.222 -10.055 -4.115 1.00 0.00 C ATOM 267 CG LEU A 18 3.775 -10.166 -4.625 1.00 0.00 C ATOM 268 CD1 LEU A 18 2.910 -9.065 -4.003 1.00 0.00 C ATOM 269 CD2 LEU A 18 3.706 -10.002 -6.149 1.00 0.00 C ATOM 0 H LEU A 18 5.805 -9.137 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 18 4.509 -11.489 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.445 -9.018 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.913 -10.349 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 18 3.411 -11.154 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.888 -9.154 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.915 -9.168 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.311 -8.089 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.670 -10.086 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.097 -9.024 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.302 -10.780 -6.626 1.00 0.00 H new ATOM 281 N GLN A 19 7.810 -11.606 -3.023 1.00 0.00 N ATOM 282 CA GLN A 19 8.939 -12.528 -3.086 1.00 0.00 C ATOM 283 C GLN A 19 8.853 -13.586 -1.985 1.00 0.00 C ATOM 284 O GLN A 19 8.962 -14.775 -2.281 1.00 0.00 O ATOM 285 CB GLN A 19 10.275 -11.762 -3.100 1.00 0.00 C ATOM 286 CG GLN A 19 10.648 -11.120 -4.458 1.00 0.00 C ATOM 287 CD GLN A 19 10.009 -9.760 -4.782 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.570 -8.733 -4.417 1.00 0.00 O ATOM 289 NE2 GLN A 19 8.877 -9.699 -5.490 1.00 0.00 N ATOM 0 H GLN A 19 8.089 -10.629 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 19 8.892 -13.075 -4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.235 -10.978 -2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.072 -12.446 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.731 -11.003 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.378 -11.819 -5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.416 -10.558 -5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.474 -8.793 -5.730 1.00 0.00 H new ATOM 298 N ALA A 20 8.567 -13.181 -0.747 1.00 0.00 N ATOM 299 CA ALA A 20 8.360 -14.080 0.379 1.00 0.00 C ATOM 300 C ALA A 20 7.112 -14.970 0.232 1.00 0.00 C ATOM 301 O ALA A 20 6.973 -15.927 0.991 1.00 0.00 O ATOM 302 CB ALA A 20 8.294 -13.256 1.671 1.00 0.00 C ATOM 0 H ALA A 20 8.472 -12.196 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 20 9.206 -14.766 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.139 -13.922 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.229 -12.711 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.467 -12.548 1.609 1.00 0.00 H new ATOM 308 N ASN A 21 6.214 -14.686 -0.723 1.00 0.00 N ATOM 309 CA ASN A 21 4.925 -15.355 -0.876 1.00 0.00 C ATOM 310 C ASN A 21 4.753 -15.965 -2.270 1.00 0.00 C ATOM 311 O ASN A 21 3.660 -16.431 -2.581 1.00 0.00 O ATOM 312 CB ASN A 21 3.797 -14.383 -0.508 1.00 0.00 C ATOM 313 CG ASN A 21 3.693 -14.243 1.007 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.081 -15.066 1.674 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.306 -13.222 1.579 1.00 0.00 N ATOM 0 H ASN A 21 6.374 -13.965 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 21 4.882 -16.199 -0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.986 -13.408 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.851 -14.743 -0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.274 -13.110 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.812 -12.545 1.007 1.00 0.00 H new ATOM 322 N SER A 22 5.799 -15.995 -3.114 1.00 0.00 N ATOM 323 CA SER A 22 5.744 -16.566 -4.464 1.00 0.00 C ATOM 324 C SER A 22 4.673 -15.873 -5.305 1.00 0.00 C ATOM 325 O SER A 22 3.933 -16.491 -6.068 1.00 0.00 O ATOM 326 CB SER A 22 5.552 -18.082 -4.425 1.00 0.00 C ATOM 327 OG SER A 22 6.512 -18.674 -3.573 1.00 0.00 O ATOM 0 H SER A 22 6.715 -15.618 -2.872 1.00 0.00 H new ATOM 0 HA SER A 22 6.705 -16.385 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.548 -18.320 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.644 -18.494 -5.430 1.00 0.00 H new ATOM 0 HG SER A 22 6.378 -19.645 -3.554 1.00 0.00 H new ATOM 333 N TYR A 23 4.613 -14.556 -5.129 1.00 0.00 N ATOM 334 CA TYR A 23 3.884 -13.589 -5.915 1.00 0.00 C ATOM 335 C TYR A 23 2.373 -13.630 -5.731 1.00 0.00 C ATOM 336 O TYR A 23 1.621 -12.977 -6.455 1.00 0.00 O ATOM 337 CB TYR A 23 4.420 -13.624 -7.349 1.00 0.00 C ATOM 338 CG TYR A 23 5.944 -13.595 -7.409 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.659 -12.808 -6.491 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.657 -14.447 -8.271 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.045 -12.807 -6.452 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.063 -14.491 -8.216 1.00 0.00 C ATOM 343 CZ TYR A 23 8.771 -13.654 -7.317 1.00 0.00 C ATOM 344 OH TYR A 23 10.130 -13.689 -7.242 1.00 0.00 O ATOM 0 H TYR A 23 5.120 -14.109 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 23 4.076 -12.585 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.058 -14.524 -7.846 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.022 -12.773 -7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.114 -12.186 -5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.125 -15.068 -8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.567 -12.161 -5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.605 -15.166 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 23 10.478 -14.323 -7.904 1.00 0.00 H new ATOM 354 N MET A 24 1.944 -14.326 -4.680 1.00 0.00 N ATOM 355 CA MET A 24 0.588 -14.336 -4.188 1.00 0.00 C ATOM 356 C MET A 24 0.248 -12.983 -3.568 1.00 0.00 C ATOM 357 O MET A 24 0.331 -12.796 -2.353 1.00 0.00 O ATOM 358 CB MET A 24 0.388 -15.502 -3.209 1.00 0.00 C ATOM 359 CG MET A 24 0.664 -16.845 -3.890 1.00 0.00 C ATOM 360 SD MET A 24 0.030 -18.283 -2.984 1.00 0.00 S ATOM 361 CE MET A 24 1.332 -18.465 -1.738 1.00 0.00 C ATOM 0 H MET A 24 2.566 -14.920 -4.132 1.00 0.00 H new ATOM 0 HA MET A 24 -0.104 -14.494 -5.016 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.052 -15.381 -2.353 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.632 -15.488 -2.825 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.220 -16.833 -4.886 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.740 -16.958 -4.022 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.018 -19.190 -0.987 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.248 -18.812 -2.217 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.515 -17.503 -1.260 1.00 0.00 H new ATOM 371 N GLU A 25 -0.201 -12.039 -4.402 1.00 0.00 N ATOM 372 CA GLU A 25 -0.769 -10.775 -3.952 1.00 0.00 C ATOM 373 C GLU A 25 -1.908 -10.999 -2.945 1.00 0.00 C ATOM 374 O GLU A 25 -2.132 -10.148 -2.089 1.00 0.00 O ATOM 375 CB GLU A 25 -1.260 -9.969 -5.165 1.00 0.00 C ATOM 376 CG GLU A 25 -1.267 -8.473 -4.840 1.00 0.00 C ATOM 377 CD GLU A 25 -2.265 -7.691 -5.697 1.00 0.00 C ATOM 378 OE1 GLU A 25 -1.941 -7.452 -6.879 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.333 -7.346 -5.140 1.00 0.00 O ATOM 0 H GLU A 25 -0.178 -12.137 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 25 0.008 -10.209 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.614 -10.159 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.263 -10.292 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.511 -8.335 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.267 -8.067 -4.991 1.00 0.00 H new ATOM 386 N SER A 26 -2.578 -12.156 -2.999 1.00 0.00 N ATOM 387 CA SER A 26 -3.559 -12.643 -2.038 1.00 0.00 C ATOM 388 C SER A 26 -3.027 -12.648 -0.600 1.00 0.00 C ATOM 389 O SER A 26 -3.760 -12.315 0.326 1.00 0.00 O ATOM 390 CB SER A 26 -3.948 -14.072 -2.441 1.00 0.00 C ATOM 391 OG SER A 26 -4.113 -14.173 -3.845 1.00 0.00 O ATOM 0 H SER A 26 -2.436 -12.814 -3.765 1.00 0.00 H new ATOM 0 HA SER A 26 -4.417 -11.971 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.179 -14.770 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.874 -14.356 -1.940 1.00 0.00 H new ATOM 0 HG SER A 26 -4.359 -15.092 -4.080 1.00 0.00 H new ATOM 397 N LYS A 27 -1.752 -13.006 -0.407 1.00 0.00 N ATOM 398 CA LYS A 27 -1.065 -12.928 0.873 1.00 0.00 C ATOM 399 C LYS A 27 -0.758 -11.462 1.172 1.00 0.00 C ATOM 400 O LYS A 27 -1.036 -10.951 2.258 1.00 0.00 O ATOM 401 CB LYS A 27 0.239 -13.747 0.828 1.00 0.00 C ATOM 402 CG LYS A 27 0.056 -15.245 0.511 1.00 0.00 C ATOM 403 CD LYS A 27 -0.164 -16.089 1.772 1.00 0.00 C ATOM 404 CE LYS A 27 -0.296 -17.583 1.454 1.00 0.00 C ATOM 405 NZ LYS A 27 -1.469 -17.882 0.611 1.00 0.00 N ATOM 0 H LYS A 27 -1.162 -13.365 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.698 -13.340 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.899 -13.310 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.743 -13.653 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.795 -15.370 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.936 -15.611 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.669 -15.938 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.064 -15.747 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.607 -17.924 0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.370 -18.144 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.580 -18.912 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.322 -17.477 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.333 -17.467 -0.333 1.00 0.00 H new ATOM 419 N CYS A 28 -0.202 -10.765 0.177 1.00 0.00 N ATOM 420 CA CYS A 28 0.283 -9.404 0.292 1.00 0.00 C ATOM 421 C CYS A 28 -0.837 -8.359 0.380 1.00 0.00 C ATOM 422 O CYS A 28 -0.539 -7.179 0.540 1.00 0.00 O ATOM 423 CB CYS A 28 1.317 -9.223 -0.814 1.00 0.00 C ATOM 424 SG CYS A 28 2.712 -10.356 -0.521 1.00 0.00 S ATOM 0 H CYS A 28 -0.077 -11.153 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 28 0.777 -9.226 1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.867 -9.425 -1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.669 -8.192 -0.834 1.00 0.00 H new ATOM 426 N GLN A 29 -2.118 -8.760 0.401 1.00 0.00 N ATOM 427 CA GLN A 29 -3.222 -7.861 0.754 1.00 0.00 C ATOM 428 C GLN A 29 -2.958 -7.212 2.131 1.00 0.00 C ATOM 429 O GLN A 29 -3.382 -6.077 2.360 1.00 0.00 O ATOM 430 CB GLN A 29 -4.583 -8.585 0.779 1.00 0.00 C ATOM 431 CG GLN A 29 -5.022 -9.308 -0.508 1.00 0.00 C ATOM 432 CD GLN A 29 -5.184 -8.412 -1.737 1.00 0.00 C ATOM 433 OE1 GLN A 29 -6.255 -7.870 -1.999 1.00 0.00 O ATOM 434 NE2 GLN A 29 -4.135 -8.295 -2.538 1.00 0.00 N ATOM 0 H GLN A 29 -2.414 -9.710 0.175 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.269 -7.094 -0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.561 -9.317 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.350 -7.853 1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.291 -10.083 -0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.970 -9.811 -0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.257 -8.755 -2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.206 -7.745 -3.394 1.00 0.00 H new ATOM 443 N ALA A 30 -2.214 -7.903 3.017 1.00 0.00 N ATOM 444 CA ALA A 30 -1.727 -7.409 4.300 1.00 0.00 C ATOM 445 C ALA A 30 -0.831 -6.184 4.137 1.00 0.00 C ATOM 446 O ALA A 30 -1.076 -5.132 4.720 1.00 0.00 O ATOM 447 CB ALA A 30 -0.906 -8.512 4.987 1.00 0.00 C ATOM 0 H ALA A 30 -1.928 -8.866 2.840 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.596 -7.129 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.539 -8.148 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.535 -9.388 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.061 -8.783 4.355 1.00 0.00 H new ATOM 453 N VAL A 31 0.251 -6.343 3.379 1.00 0.00 N ATOM 454 CA VAL A 31 1.276 -5.334 3.214 1.00 0.00 C ATOM 455 C VAL A 31 0.752 -4.190 2.339 1.00 0.00 C ATOM 456 O VAL A 31 1.116 -3.037 2.561 1.00 0.00 O ATOM 457 CB VAL A 31 2.537 -6.032 2.687 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.372 -6.544 1.264 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.793 -5.189 2.792 1.00 0.00 C ATOM 0 H VAL A 31 0.437 -7.198 2.854 1.00 0.00 H new ATOM 0 HA VAL A 31 1.545 -4.857 4.156 1.00 0.00 H new ATOM 0 HB VAL A 31 2.666 -6.887 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.294 -7.029 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.553 -7.262 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.151 -5.708 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.641 -5.750 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.666 -4.273 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.976 -4.937 3.837 1.00 0.00 H new ATOM 469 N ILE A 32 -0.163 -4.482 1.403 1.00 0.00 N ATOM 470 CA ILE A 32 -0.916 -3.485 0.670 1.00 0.00 C ATOM 471 C ILE A 32 -1.680 -2.672 1.716 1.00 0.00 C ATOM 472 O ILE A 32 -1.533 -1.454 1.761 1.00 0.00 O ATOM 473 CB ILE A 32 -1.770 -4.176 -0.423 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.855 -4.800 -1.506 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.745 -3.220 -1.125 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.552 -5.838 -2.385 1.00 0.00 C ATOM 0 H ILE A 32 -0.396 -5.439 1.138 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.299 -2.785 0.107 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.351 -4.939 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.465 -4.004 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.001 -5.267 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.312 -3.767 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.431 -2.796 -0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.185 -2.417 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.845 -6.228 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.917 -6.655 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.391 -5.372 -2.902 1.00 0.00 H new ATOM 488 N GLN A 33 -2.375 -3.316 2.656 1.00 0.00 N ATOM 489 CA GLN A 33 -3.019 -2.618 3.753 1.00 0.00 C ATOM 490 C GLN A 33 -2.057 -1.776 4.585 1.00 0.00 C ATOM 491 O GLN A 33 -2.478 -0.784 5.183 1.00 0.00 O ATOM 492 CB GLN A 33 -3.739 -3.615 4.669 1.00 0.00 C ATOM 493 CG GLN A 33 -5.203 -3.220 4.741 1.00 0.00 C ATOM 494 CD GLN A 33 -5.949 -3.338 3.400 1.00 0.00 C ATOM 495 OE1 GLN A 33 -6.836 -2.541 3.103 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.611 -4.298 2.544 1.00 0.00 N ATOM 0 H GLN A 33 -2.502 -4.328 2.672 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.734 -1.934 3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.637 -4.629 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.294 -3.607 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.702 -3.847 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.274 -2.192 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.875 -4.962 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.087 -4.371 1.645 1.00 0.00 H new ATOM 505 N GLU A 34 -0.768 -2.122 4.620 1.00 0.00 N ATOM 506 CA GLU A 34 0.169 -1.275 5.299 1.00 0.00 C ATOM 507 C GLU A 34 0.468 -0.016 4.457 1.00 0.00 C ATOM 508 O GLU A 34 0.537 1.087 5.000 1.00 0.00 O ATOM 509 CB GLU A 34 1.436 -2.068 5.647 1.00 0.00 C ATOM 510 CG GLU A 34 2.226 -1.218 6.631 1.00 0.00 C ATOM 511 CD GLU A 34 3.607 -1.760 7.004 1.00 0.00 C ATOM 512 OE1 GLU A 34 3.775 -2.998 7.018 1.00 0.00 O ATOM 513 OE2 GLU A 34 4.486 -0.901 7.261 1.00 0.00 O ATOM 0 H GLU A 34 -0.374 -2.961 4.195 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.264 -0.929 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.181 -3.032 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.024 -2.271 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.348 -0.221 6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.639 -1.108 7.543 1.00 0.00 H new ATOM 520 N LEU A 35 0.596 -0.150 3.128 1.00 0.00 N ATOM 521 CA LEU A 35 0.654 0.995 2.229 1.00 0.00 C ATOM 522 C LEU A 35 -0.610 1.837 2.401 1.00 0.00 C ATOM 523 O LEU A 35 -0.511 3.048 2.274 1.00 0.00 O ATOM 524 CB LEU A 35 0.851 0.608 0.744 1.00 0.00 C ATOM 525 CG LEU A 35 2.183 0.878 0.048 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.078 0.585 -1.453 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.611 2.343 0.178 1.00 0.00 C ATOM 0 H LEU A 35 0.661 -1.052 2.656 1.00 0.00 H new ATOM 0 HA LEU A 35 1.536 1.574 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.654 -0.461 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.078 1.121 0.172 1.00 0.00 H new ATOM 0 HG LEU A 35 2.913 0.229 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.037 0.784 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.808 -0.461 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.313 1.223 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.563 2.490 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.855 2.985 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.720 2.598 1.232 1.00 0.00 H new ATOM 539 N ARG A 36 -1.773 1.249 2.723 1.00 0.00 N ATOM 540 CA ARG A 36 -3.033 1.984 2.884 1.00 0.00 C ATOM 541 C ARG A 36 -2.923 2.904 4.089 1.00 0.00 C ATOM 542 O ARG A 36 -3.108 4.115 3.974 1.00 0.00 O ATOM 543 CB ARG A 36 -4.234 1.047 3.101 1.00 0.00 C ATOM 544 CG ARG A 36 -4.576 0.022 2.032 1.00 0.00 C ATOM 545 CD ARG A 36 -5.352 0.609 0.888 1.00 0.00 C ATOM 546 NE ARG A 36 -5.238 -0.239 -0.305 1.00 0.00 N ATOM 547 CZ ARG A 36 -5.926 -1.358 -0.565 1.00 0.00 C ATOM 548 NH1 ARG A 36 -6.808 -1.868 0.299 1.00 0.00 N ATOM 549 NH2 ARG A 36 -5.715 -1.995 -1.712 1.00 0.00 N ATOM 0 H ARG A 36 -1.864 0.245 2.879 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.201 2.546 1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.064 0.506 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.115 1.671 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.655 -0.420 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.155 -0.785 2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.400 0.712 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.981 1.610 0.666 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.563 0.055 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.976 -1.403 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.314 -2.723 0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.036 -1.630 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.232 -2.849 -1.924 1.00 0.00 H new ATOM 563 N LYS A 37 -2.620 2.307 5.245 1.00 0.00 N ATOM 564 CA LYS A 37 -2.539 3.025 6.512 1.00 0.00 C ATOM 565 C LYS A 37 -1.355 3.991 6.538 1.00 0.00 C ATOM 566 O LYS A 37 -1.355 4.951 7.314 1.00 0.00 O ATOM 567 CB LYS A 37 -2.556 2.044 7.700 1.00 0.00 C ATOM 568 CG LYS A 37 -1.206 1.370 7.985 1.00 0.00 C ATOM 569 CD LYS A 37 -1.310 0.238 9.020 1.00 0.00 C ATOM 570 CE LYS A 37 -1.804 0.701 10.398 1.00 0.00 C ATOM 571 NZ LYS A 37 -0.882 1.664 11.025 1.00 0.00 N ATOM 0 H LYS A 37 -2.424 1.309 5.325 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.427 3.648 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.877 2.580 8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.300 1.272 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.802 0.970 7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.500 2.119 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.987 -0.528 8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.332 -0.229 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.788 1.158 10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.921 -0.165 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.220 1.897 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.068 1.245 11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.842 2.530 10.451 1.00 0.00 H new ATOM 585 N CYS A 38 -0.347 3.746 5.694 1.00 0.00 N ATOM 586 CA CYS A 38 0.683 4.713 5.422 1.00 0.00 C ATOM 587 C CYS A 38 0.103 5.821 4.547 1.00 0.00 C ATOM 588 O CYS A 38 0.245 6.982 4.876 1.00 0.00 O ATOM 589 CB CYS A 38 1.904 4.059 4.783 1.00 0.00 C ATOM 590 SG CYS A 38 3.198 5.288 4.474 1.00 0.00 S ATOM 0 H CYS A 38 -0.236 2.867 5.188 1.00 0.00 H new ATOM 0 HA CYS A 38 1.028 5.150 6.359 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.288 3.276 5.437 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.618 3.581 3.846 1.00 0.00 H new ATOM 592 N CYS A 39 -0.539 5.498 3.429 1.00 0.00 N ATOM 593 CA CYS A 39 -0.965 6.456 2.419 1.00 0.00 C ATOM 594 C CYS A 39 -1.940 7.473 2.972 1.00 0.00 C ATOM 595 O CYS A 39 -1.724 8.681 2.866 1.00 0.00 O ATOM 596 CB CYS A 39 -1.574 5.682 1.263 1.00 0.00 C ATOM 597 SG CYS A 39 -2.282 6.591 -0.127 1.00 0.00 S ATOM 0 H CYS A 39 -0.783 4.536 3.196 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.101 7.025 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.802 5.023 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.358 5.044 1.672 1.00 0.00 H new ATOM 599 N ALA A 40 -2.994 6.966 3.608 1.00 0.00 N ATOM 600 CA ALA A 40 -4.096 7.778 4.088 1.00 0.00 C ATOM 601 C ALA A 40 -3.700 8.664 5.280 1.00 0.00 C ATOM 602 O ALA A 40 -4.539 9.374 5.828 1.00 0.00 O ATOM 603 CB ALA A 40 -5.278 6.863 4.433 1.00 0.00 C ATOM 0 H ALA A 40 -3.102 5.971 3.803 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.389 8.465 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.111 7.466 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.586 6.315 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.978 6.157 5.207 1.00 0.00 H new ATOM 609 N GLN A 41 -2.431 8.614 5.698 1.00 0.00 N ATOM 610 CA GLN A 41 -1.864 9.346 6.801 1.00 0.00 C ATOM 611 C GLN A 41 -1.418 10.747 6.365 1.00 0.00 C ATOM 612 O GLN A 41 -1.080 11.566 7.217 1.00 0.00 O ATOM 613 CB GLN A 41 -0.651 8.521 7.212 1.00 0.00 C ATOM 614 CG GLN A 41 -0.135 8.616 8.630 1.00 0.00 C ATOM 615 CD GLN A 41 1.034 7.640 8.808 1.00 0.00 C ATOM 616 OE1 GLN A 41 2.188 8.044 8.948 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.779 6.337 8.745 1.00 0.00 N ATOM 0 H GLN A 41 -1.742 8.020 5.237 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.582 9.487 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.887 7.474 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.169 8.791 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.190 9.634 8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.931 8.381 9.336 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.180 6.010 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.543 5.664 8.813 1.00 0.00 H new ATOM 626 N TYR A 42 -1.379 11.007 5.048 1.00 0.00 N ATOM 627 CA TYR A 42 -0.773 12.178 4.453 1.00 0.00 C ATOM 628 C TYR A 42 -1.674 12.778 3.375 1.00 0.00 C ATOM 629 O TYR A 42 -2.517 12.071 2.819 1.00 0.00 O ATOM 630 CB TYR A 42 0.567 11.795 3.798 1.00 0.00 C ATOM 631 CG TYR A 42 1.574 11.142 4.716 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.539 9.750 4.878 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.504 11.905 5.446 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.422 9.107 5.754 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.361 11.275 6.366 1.00 0.00 C ATOM 636 CZ TYR A 42 3.299 9.873 6.551 1.00 0.00 C ATOM 637 OH TYR A 42 3.998 9.277 7.555 1.00 0.00 O ATOM 0 H TYR A 42 -1.786 10.377 4.357 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.620 12.911 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.366 11.118 2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.015 12.694 3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.822 9.166 4.320 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.560 12.974 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.432 8.029 5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.068 11.862 6.933 1.00 0.00 H new ATOM 0 HH TYR A 42 3.379 8.991 8.259 1.00 0.00 H new ATOM 647 N PRO A 43 -1.466 14.057 3.011 1.00 0.00 N ATOM 648 CA PRO A 43 -2.055 14.606 1.800 1.00 0.00 C ATOM 649 C PRO A 43 -1.404 13.835 0.644 1.00 0.00 C ATOM 650 O PRO A 43 -0.184 13.850 0.516 1.00 0.00 O ATOM 651 CB PRO A 43 -1.715 16.100 1.815 1.00 0.00 C ATOM 652 CG PRO A 43 -0.452 16.184 2.674 1.00 0.00 C ATOM 653 CD PRO A 43 -0.616 15.040 3.674 1.00 0.00 C ATOM 0 HA PRO A 43 -3.137 14.508 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.539 16.479 0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.527 16.690 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.449 16.064 2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.374 17.148 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.350 14.609 3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.072 15.391 4.600 1.00 0.00 H new ATOM 661 N LYS A 44 -2.197 13.138 -0.179 1.00 0.00 N ATOM 662 CA LYS A 44 -1.738 12.146 -1.164 1.00 0.00 C ATOM 663 C LYS A 44 -0.511 12.559 -1.980 1.00 0.00 C ATOM 664 O LYS A 44 0.392 11.746 -2.180 1.00 0.00 O ATOM 665 CB LYS A 44 -2.889 11.779 -2.115 1.00 0.00 C ATOM 666 CG LYS A 44 -4.146 11.251 -1.401 1.00 0.00 C ATOM 667 CD LYS A 44 -5.271 11.033 -2.418 1.00 0.00 C ATOM 668 CE LYS A 44 -6.538 10.570 -1.697 1.00 0.00 C ATOM 669 NZ LYS A 44 -7.610 10.219 -2.645 1.00 0.00 N ATOM 0 H LYS A 44 -3.211 13.252 -0.179 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.422 11.285 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.158 12.659 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.539 11.024 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.919 10.315 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.466 11.960 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.468 11.958 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.968 10.289 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.307 9.706 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.886 11.359 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.452 9.910 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.849 11.050 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.287 9.448 -3.264 1.00 0.00 H new ATOM 683 N GLY A 45 -0.444 13.829 -2.391 1.00 0.00 N ATOM 684 CA GLY A 45 0.660 14.401 -3.155 1.00 0.00 C ATOM 685 C GLY A 45 2.013 14.344 -2.436 1.00 0.00 C ATOM 686 O GLY A 45 3.034 14.609 -3.066 1.00 0.00 O ATOM 0 H GLY A 45 -1.181 14.505 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.743 13.873 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.427 15.440 -3.387 1.00 0.00 H new ATOM 690 N ARG A 46 2.050 13.982 -1.147 1.00 0.00 N ATOM 691 CA ARG A 46 3.253 13.675 -0.398 1.00 0.00 C ATOM 692 C ARG A 46 3.972 12.445 -0.969 1.00 0.00 C ATOM 693 O ARG A 46 5.184 12.303 -0.799 1.00 0.00 O ATOM 694 CB ARG A 46 2.802 13.436 1.059 1.00 0.00 C ATOM 695 CG ARG A 46 3.909 13.126 2.074 1.00 0.00 C ATOM 696 CD ARG A 46 4.417 14.320 2.900 1.00 0.00 C ATOM 697 NE ARG A 46 4.681 15.532 2.109 1.00 0.00 N ATOM 698 CZ ARG A 46 5.529 15.672 1.080 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.423 14.733 0.768 1.00 0.00 N ATOM 700 NH2 ARG A 46 5.431 16.758 0.313 1.00 0.00 N ATOM 0 H ARG A 46 1.204 13.895 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 46 3.971 14.493 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.264 14.321 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.092 12.609 1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.542 12.364 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.754 12.693 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.681 14.555 3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.333 14.028 3.414 1.00 0.00 H new ATOM 0 HE ARG A 46 4.156 16.365 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.476 13.876 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.054 14.871 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.721 17.462 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.066 16.885 -0.475 1.00 0.00 H new ATOM 714 N SER A 47 3.243 11.531 -1.623 1.00 0.00 N ATOM 715 CA SER A 47 3.769 10.240 -1.995 1.00 0.00 C ATOM 716 C SER A 47 3.315 9.797 -3.374 1.00 0.00 C ATOM 717 O SER A 47 2.135 9.805 -3.732 1.00 0.00 O ATOM 718 CB SER A 47 3.437 9.249 -0.884 1.00 0.00 C ATOM 719 OG SER A 47 3.597 7.904 -1.274 1.00 0.00 O ATOM 0 H SER A 47 2.273 11.680 -1.903 1.00 0.00 H new ATOM 0 HA SER A 47 4.853 10.298 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.076 9.450 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.408 9.407 -0.561 1.00 0.00 H new ATOM 0 HG SER A 47 4.462 7.571 -0.954 1.00 0.00 H new ATOM 725 N VAL A 48 4.315 9.353 -4.126 1.00 0.00 N ATOM 726 CA VAL A 48 4.178 8.779 -5.446 1.00 0.00 C ATOM 727 C VAL A 48 3.476 7.435 -5.314 1.00 0.00 C ATOM 728 O VAL A 48 2.473 7.193 -5.979 1.00 0.00 O ATOM 729 CB VAL A 48 5.548 8.634 -6.144 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.319 8.239 -7.610 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.376 9.926 -6.094 1.00 0.00 C ATOM 0 H VAL A 48 5.285 9.388 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 48 3.582 9.443 -6.073 1.00 0.00 H new ATOM 0 HB VAL A 48 6.110 7.867 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.280 8.134 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.782 7.291 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.732 9.011 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.329 9.767 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.830 10.727 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.558 10.202 -5.055 1.00 0.00 H new ATOM 741 N VAL A 49 3.981 6.558 -4.440 1.00 0.00 N ATOM 742 CA VAL A 49 3.425 5.227 -4.287 1.00 0.00 C ATOM 743 C VAL A 49 1.977 5.309 -3.793 1.00 0.00 C ATOM 744 O VAL A 49 1.133 4.617 -4.348 1.00 0.00 O ATOM 745 CB VAL A 49 4.320 4.343 -3.406 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.774 4.318 -3.896 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.370 4.805 -1.956 1.00 0.00 C ATOM 0 H VAL A 49 4.775 6.755 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 49 3.399 4.739 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 49 3.865 3.355 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.368 3.680 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.809 3.927 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.180 5.329 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.018 4.141 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.762 5.821 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.366 4.785 -1.533 1.00 0.00 H new ATOM 757 N CYS A 50 1.668 6.199 -2.834 1.00 0.00 N ATOM 758 CA CYS A 50 0.327 6.458 -2.311 1.00 0.00 C ATOM 759 C CYS A 50 -0.574 7.021 -3.419 1.00 0.00 C ATOM 760 O CYS A 50 -1.762 6.701 -3.476 1.00 0.00 O ATOM 761 CB CYS A 50 0.454 7.488 -1.184 1.00 0.00 C ATOM 762 SG CYS A 50 -1.055 8.177 -0.458 1.00 0.00 S ATOM 0 H CYS A 50 2.379 6.778 -2.388 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.116 5.533 -1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.027 7.028 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.048 8.320 -1.563 1.00 0.00 H new ATOM 764 N SER A 51 -0.008 7.814 -4.338 1.00 0.00 N ATOM 765 CA SER A 51 -0.708 8.266 -5.527 1.00 0.00 C ATOM 766 C SER A 51 -0.986 7.088 -6.475 1.00 0.00 C ATOM 767 O SER A 51 -2.008 7.096 -7.160 1.00 0.00 O ATOM 768 CB SER A 51 0.071 9.397 -6.210 1.00 0.00 C ATOM 769 OG SER A 51 0.254 10.484 -5.320 1.00 0.00 O ATOM 0 H SER A 51 0.951 8.156 -4.269 1.00 0.00 H new ATOM 0 HA SER A 51 -1.676 8.673 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.040 9.028 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.467 9.732 -7.097 1.00 0.00 H new ATOM 0 HG SER A 51 1.147 10.433 -4.920 1.00 0.00 H new ATOM 775 N GLY A 52 -0.144 6.038 -6.468 1.00 0.00 N ATOM 776 CA GLY A 52 -0.465 4.771 -7.137 1.00 0.00 C ATOM 777 C GLY A 52 -1.606 4.059 -6.447 1.00 0.00 C ATOM 778 O GLY A 52 -2.413 3.350 -7.042 1.00 0.00 O ATOM 0 H GLY A 52 0.765 6.046 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.729 4.963 -8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.415 4.128 -7.145 1.00 0.00 H new ATOM 782 N PHE A 53 -1.618 4.235 -5.141 1.00 0.00 N ATOM 783 CA PHE A 53 -2.379 3.471 -4.216 1.00 0.00 C ATOM 784 C PHE A 53 -3.827 3.853 -4.084 1.00 0.00 C ATOM 785 O PHE A 53 -4.691 2.988 -4.085 1.00 0.00 O ATOM 786 CB PHE A 53 -1.666 3.624 -2.896 1.00 0.00 C ATOM 787 CG PHE A 53 -1.655 2.321 -2.241 1.00 0.00 C ATOM 788 CD1 PHE A 53 -1.002 1.247 -2.873 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.321 2.196 -1.032 1.00 0.00 C ATOM 790 CE1 PHE A 53 -1.033 -0.007 -2.264 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.293 0.962 -0.431 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.690 -0.131 -1.037 1.00 0.00 C ATOM 0 H PHE A 53 -1.061 4.959 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.431 2.443 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.648 3.982 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.172 4.361 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.487 1.391 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.838 3.031 -0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.561 -0.860 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.752 0.839 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.729 -1.095 -0.552 1.00 0.00 H new ATOM 802 N GLU A 54 -4.096 5.145 -4.007 1.00 0.00 N ATOM 803 CA GLU A 54 -5.457 5.638 -4.074 1.00 0.00 C ATOM 804 C GLU A 54 -6.090 5.283 -5.432 1.00 0.00 C ATOM 805 O GLU A 54 -7.310 5.138 -5.497 1.00 0.00 O ATOM 806 CB GLU A 54 -5.480 7.118 -3.666 1.00 0.00 C ATOM 807 CG GLU A 54 -5.239 7.234 -2.140 1.00 0.00 C ATOM 808 CD GLU A 54 -6.491 7.029 -1.277 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.492 6.489 -1.796 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.431 7.450 -0.101 1.00 0.00 O ATOM 0 H GLU A 54 -3.388 5.871 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.106 5.141 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.712 7.669 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.439 7.564 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.488 6.500 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.823 8.218 -1.925 1.00 0.00 H new