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 173:sc= -0.228 (180deg=-0.289) USER MOD Set 1.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 GLN : amide:sc= 0.834 K(o=1.6,f=0.8) USER MOD Set 2.2: A 12 CYS SG : rot 80:sc= 0.717 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0.585 (180deg=0.571) USER MOD Single : A 10 GLN : amide:sc= 0.031 K(o=0.031,f=-0.79) USER MOD Single : A 15 GLN : amide:sc= 0.878 K(o=0.88,f=-0.035) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0232) USER MOD Single : A 19 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.84) USER MOD Single : A 21 ASN : amide:sc= 1.02 K(o=1,f=-4.7!) 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= 0.0534 USER MOD Single : A 29 GLN : amide:sc= 1.6 K(o=1.6,f=-0.1) USER MOD Single : A 33 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.18) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0276) USER MOD Single : A 41 GLN : amide:sc= 0.738 K(o=0.74,f=-0.078) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00949) USER MOD Single : A 47 SER OG : rot 119:sc= 1.44 USER MOD Single : A 51 SER OG : rot 91:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 9.162 10.292 0.196 1.00 0.00 N ATOM 74 CA ASP A 5 8.012 9.412 0.124 1.00 0.00 C ATOM 75 C ASP A 5 7.919 8.491 1.353 1.00 0.00 C ATOM 76 O ASP A 5 8.596 7.465 1.386 1.00 0.00 O ATOM 77 CB ASP A 5 8.085 8.639 -1.200 1.00 0.00 C ATOM 78 CG ASP A 5 6.796 7.886 -1.513 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.026 7.559 -0.577 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.531 7.689 -2.718 1.00 0.00 O ATOM 0 HA ASP A 5 7.092 9.996 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.301 9.335 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.913 7.932 -1.158 1.00 0.00 H new ATOM 85 N PRO A 6 7.077 8.802 2.361 1.00 0.00 N ATOM 86 CA PRO A 6 6.989 8.040 3.610 1.00 0.00 C ATOM 87 C PRO A 6 6.504 6.602 3.392 1.00 0.00 C ATOM 88 O PRO A 6 6.852 5.695 4.150 1.00 0.00 O ATOM 89 CB PRO A 6 6.000 8.791 4.500 1.00 0.00 C ATOM 90 CG PRO A 6 5.800 10.134 3.802 1.00 0.00 C ATOM 91 CD PRO A 6 6.018 9.787 2.337 1.00 0.00 C ATOM 0 HA PRO A 6 7.978 7.960 4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.059 8.248 4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.394 8.922 5.508 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.803 10.537 3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.512 10.882 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.111 9.387 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.303 10.665 1.758 1.00 0.00 H new ATOM 99 N CYS A 7 5.704 6.386 2.340 1.00 0.00 N ATOM 100 CA CYS A 7 5.114 5.101 2.039 1.00 0.00 C ATOM 101 C CYS A 7 5.987 4.273 1.105 1.00 0.00 C ATOM 102 O CYS A 7 5.685 3.098 0.893 1.00 0.00 O ATOM 103 CB CYS A 7 3.754 5.274 1.360 1.00 0.00 C ATOM 104 SG CYS A 7 2.322 5.567 2.417 1.00 0.00 S ATOM 0 H CYS A 7 5.453 7.116 1.673 1.00 0.00 H new ATOM 0 HA CYS A 7 5.010 4.585 2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.831 6.107 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.558 4.379 0.769 1.00 0.00 H new ATOM 106 N GLN A 8 7.063 4.839 0.547 1.00 0.00 N ATOM 107 CA GLN A 8 7.926 4.108 -0.357 1.00 0.00 C ATOM 108 C GLN A 8 8.595 2.932 0.370 1.00 0.00 C ATOM 109 O GLN A 8 8.901 1.921 -0.264 1.00 0.00 O ATOM 110 CB GLN A 8 8.890 5.112 -0.992 1.00 0.00 C ATOM 111 CG GLN A 8 10.025 4.502 -1.796 1.00 0.00 C ATOM 112 CD GLN A 8 9.567 3.793 -3.068 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.470 4.399 -4.128 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.266 2.505 -2.989 1.00 0.00 N ATOM 0 H GLN A 8 7.348 5.804 0.713 1.00 0.00 H new ATOM 0 HA GLN A 8 7.368 3.638 -1.167 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.321 5.775 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.317 5.730 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.732 5.288 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.562 3.791 -1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.352 2.015 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.948 2.004 -3.819 1.00 0.00 H new ATOM 123 N LYS A 9 8.742 3.023 1.697 1.00 0.00 N ATOM 124 CA LYS A 9 9.148 1.924 2.558 1.00 0.00 C ATOM 125 C LYS A 9 8.135 0.780 2.443 1.00 0.00 C ATOM 126 O LYS A 9 8.506 -0.346 2.129 1.00 0.00 O ATOM 127 CB LYS A 9 9.304 2.452 3.999 1.00 0.00 C ATOM 128 CG LYS A 9 10.307 1.673 4.866 1.00 0.00 C ATOM 129 CD LYS A 9 9.928 0.216 5.151 1.00 0.00 C ATOM 130 CE LYS A 9 10.873 -0.354 6.210 1.00 0.00 C ATOM 131 NZ LYS A 9 10.569 -1.763 6.512 1.00 0.00 N ATOM 0 H LYS A 9 8.575 3.890 2.208 1.00 0.00 H new ATOM 0 HA LYS A 9 10.113 1.520 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.615 3.496 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.329 2.430 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.279 1.689 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.423 2.194 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.896 0.158 5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.990 -0.374 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.902 -0.271 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.797 0.238 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.252 -2.124 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.607 -1.835 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.634 -2.327 5.640 1.00 0.00 H new ATOM 145 N GLN A 10 6.844 1.066 2.625 1.00 0.00 N ATOM 146 CA GLN A 10 5.788 0.063 2.553 1.00 0.00 C ATOM 147 C GLN A 10 5.683 -0.496 1.128 1.00 0.00 C ATOM 148 O GLN A 10 5.533 -1.701 0.967 1.00 0.00 O ATOM 149 CB GLN A 10 4.451 0.633 3.064 1.00 0.00 C ATOM 150 CG GLN A 10 4.386 0.729 4.601 1.00 0.00 C ATOM 151 CD GLN A 10 5.466 1.631 5.202 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.434 1.154 5.777 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.354 2.942 5.031 1.00 0.00 N ATOM 0 H GLN A 10 6.504 2.006 2.827 1.00 0.00 H new ATOM 0 HA GLN A 10 6.042 -0.769 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.298 1.624 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.635 0.003 2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.406 1.106 4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.482 -0.271 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.541 3.326 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.081 3.566 5.381 1.00 0.00 H new ATOM 162 N ALA A 11 5.838 0.347 0.098 1.00 0.00 N ATOM 163 CA ALA A 11 5.923 -0.072 -1.298 1.00 0.00 C ATOM 164 C ALA A 11 7.107 -1.017 -1.558 1.00 0.00 C ATOM 165 O ALA A 11 6.981 -1.941 -2.364 1.00 0.00 O ATOM 166 CB ALA A 11 5.992 1.158 -2.199 1.00 0.00 C ATOM 0 H ALA A 11 5.909 1.357 0.220 1.00 0.00 H new ATOM 0 HA ALA A 11 5.023 -0.640 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.055 0.843 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.097 1.764 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.873 1.747 -1.944 1.00 0.00 H new ATOM 172 N CYS A 12 8.241 -0.815 -0.874 1.00 0.00 N ATOM 173 CA CYS A 12 9.342 -1.775 -0.866 1.00 0.00 C ATOM 174 C CYS A 12 8.921 -3.086 -0.191 1.00 0.00 C ATOM 175 O CYS A 12 9.223 -4.165 -0.700 1.00 0.00 O ATOM 176 CB CYS A 12 10.589 -1.226 -0.162 1.00 0.00 C ATOM 177 SG CYS A 12 11.302 0.165 -1.073 1.00 0.00 S ATOM 0 H CYS A 12 8.416 0.019 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 12 9.593 -1.962 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.328 -0.907 0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.332 -2.018 -0.064 1.00 0.00 H new ATOM 0 HG CYS A 12 10.623 1.244 -0.818 1.00 0.00 H new ATOM 182 N GLU A 13 8.214 -3.006 0.946 1.00 0.00 N ATOM 183 CA GLU A 13 7.732 -4.185 1.653 1.00 0.00 C ATOM 184 C GLU A 13 6.745 -4.994 0.819 1.00 0.00 C ATOM 185 O GLU A 13 6.682 -6.200 1.022 1.00 0.00 O ATOM 186 CB GLU A 13 7.100 -3.857 3.015 1.00 0.00 C ATOM 187 CG GLU A 13 8.069 -3.248 4.032 1.00 0.00 C ATOM 188 CD GLU A 13 9.341 -4.077 4.217 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.209 -5.288 4.499 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.434 -3.490 4.058 1.00 0.00 O ATOM 0 H GLU A 13 7.965 -2.124 1.393 1.00 0.00 H new ATOM 0 HA GLU A 13 8.623 -4.787 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.272 -3.165 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.678 -4.770 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.341 -2.243 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.564 -3.149 4.993 1.00 0.00 H new ATOM 197 N ILE A 14 6.029 -4.398 -0.142 1.00 0.00 N ATOM 198 CA ILE A 14 5.248 -5.163 -1.103 1.00 0.00 C ATOM 199 C ILE A 14 6.158 -6.144 -1.829 1.00 0.00 C ATOM 200 O ILE A 14 5.846 -7.334 -1.915 1.00 0.00 O ATOM 201 CB ILE A 14 4.560 -4.246 -2.116 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.706 -3.132 -1.524 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.744 -5.053 -3.134 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.591 -3.592 -0.617 1.00 0.00 C ATOM 0 H ILE A 14 5.979 -3.387 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 14 4.474 -5.707 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 14 5.387 -3.739 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.354 -2.458 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.274 -2.554 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.268 -4.373 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.404 -5.732 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.979 -5.629 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.042 -2.726 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.914 -4.240 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.011 -4.142 0.225 1.00 0.00 H new ATOM 216 N GLN A 15 7.279 -5.628 -2.347 1.00 0.00 N ATOM 217 CA GLN A 15 8.206 -6.402 -3.143 1.00 0.00 C ATOM 218 C GLN A 15 8.716 -7.539 -2.272 1.00 0.00 C ATOM 219 O GLN A 15 8.569 -8.703 -2.630 1.00 0.00 O ATOM 220 CB GLN A 15 9.368 -5.551 -3.696 1.00 0.00 C ATOM 221 CG GLN A 15 8.985 -4.168 -4.247 1.00 0.00 C ATOM 222 CD GLN A 15 7.741 -4.188 -5.132 1.00 0.00 C ATOM 223 OE1 GLN A 15 7.657 -4.932 -6.099 1.00 0.00 O ATOM 224 NE2 GLN A 15 6.742 -3.379 -4.803 1.00 0.00 N ATOM 0 H GLN A 15 7.559 -4.656 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 15 7.692 -6.791 -4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.102 -5.414 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.859 -6.114 -4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.817 -3.487 -3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.822 -3.769 -4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.829 -2.765 -3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.887 -3.371 -5.360 1.00 0.00 H new ATOM 233 N LYS A 16 9.253 -7.211 -1.098 1.00 0.00 N ATOM 234 CA LYS A 16 9.902 -8.191 -0.244 1.00 0.00 C ATOM 235 C LYS A 16 8.895 -9.154 0.371 1.00 0.00 C ATOM 236 O LYS A 16 9.235 -10.323 0.555 1.00 0.00 O ATOM 237 CB LYS A 16 10.674 -7.454 0.861 1.00 0.00 C ATOM 238 CG LYS A 16 11.770 -6.504 0.337 1.00 0.00 C ATOM 239 CD LYS A 16 11.922 -5.290 1.268 1.00 0.00 C ATOM 240 CE LYS A 16 12.994 -4.313 0.775 1.00 0.00 C ATOM 241 NZ LYS A 16 14.347 -4.896 0.833 1.00 0.00 N ATOM 0 H LYS A 16 9.248 -6.264 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 16 10.588 -8.782 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.968 -6.881 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.132 -8.190 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.718 -7.037 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.518 -6.169 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.967 -4.771 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.179 -5.633 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.771 -4.018 -0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.964 -3.407 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.049 -4.169 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.533 -5.247 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.415 -5.684 0.158 1.00 0.00 H new ATOM 255 N CYS A 17 7.654 -8.717 0.630 1.00 0.00 N ATOM 256 CA CYS A 17 6.578 -9.622 0.985 1.00 0.00 C ATOM 257 C CYS A 17 6.439 -10.641 -0.128 1.00 0.00 C ATOM 258 O CYS A 17 6.344 -11.830 0.156 1.00 0.00 O ATOM 259 CB CYS A 17 5.257 -8.876 1.170 1.00 0.00 C ATOM 260 SG CYS A 17 3.802 -9.943 1.381 1.00 0.00 S ATOM 0 H CYS A 17 7.381 -7.735 0.597 1.00 0.00 H new ATOM 0 HA CYS A 17 6.814 -10.107 1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.342 -8.226 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.095 -8.232 0.305 1.00 0.00 H new ATOM 262 N LEU A 18 6.441 -10.194 -1.385 1.00 0.00 N ATOM 263 CA LEU A 18 6.320 -11.087 -2.513 1.00 0.00 C ATOM 264 C LEU A 18 7.458 -12.108 -2.508 1.00 0.00 C ATOM 265 O LEU A 18 7.180 -13.291 -2.690 1.00 0.00 O ATOM 266 CB LEU A 18 6.208 -10.291 -3.832 1.00 0.00 C ATOM 267 CG LEU A 18 4.810 -10.457 -4.445 1.00 0.00 C ATOM 268 CD1 LEU A 18 3.880 -9.351 -3.938 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.857 -10.365 -5.976 1.00 0.00 C ATOM 0 H LEU A 18 6.526 -9.209 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 18 5.395 -11.657 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.406 -9.236 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.964 -10.637 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 18 4.442 -11.439 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.891 -9.477 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.804 -9.409 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.282 -8.379 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.851 -10.487 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.251 -9.392 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.502 -11.151 -6.368 1.00 0.00 H new ATOM 281 N GLN A 19 8.707 -11.701 -2.250 1.00 0.00 N ATOM 282 CA GLN A 19 9.820 -12.636 -2.082 1.00 0.00 C ATOM 283 C GLN A 19 9.548 -13.618 -0.940 1.00 0.00 C ATOM 284 O GLN A 19 9.676 -14.825 -1.142 1.00 0.00 O ATOM 285 CB GLN A 19 11.176 -11.915 -1.952 1.00 0.00 C ATOM 286 CG GLN A 19 11.719 -11.324 -3.273 1.00 0.00 C ATOM 287 CD GLN A 19 11.075 -9.990 -3.655 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.486 -8.949 -3.157 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.039 -9.972 -4.490 1.00 0.00 N ATOM 0 H GLN A 19 8.971 -10.720 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 19 9.895 -13.229 -2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.077 -11.111 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.909 -12.617 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.797 -11.186 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.555 -12.041 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.701 -10.842 -4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.583 -9.089 -4.718 1.00 0.00 H new ATOM 298 N ALA A 20 9.089 -13.129 0.214 1.00 0.00 N ATOM 299 CA ALA A 20 8.709 -13.958 1.350 1.00 0.00 C ATOM 300 C ALA A 20 7.503 -14.874 1.067 1.00 0.00 C ATOM 301 O ALA A 20 7.277 -15.813 1.828 1.00 0.00 O ATOM 302 CB ALA A 20 8.442 -13.053 2.560 1.00 0.00 C ATOM 0 H ALA A 20 8.971 -12.130 0.384 1.00 0.00 H new ATOM 0 HA ALA A 20 9.540 -14.632 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.157 -13.665 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.345 -12.491 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.635 -12.359 2.325 1.00 0.00 H new ATOM 308 N ASN A 21 6.734 -14.635 -0.006 1.00 0.00 N ATOM 309 CA ASN A 21 5.485 -15.327 -0.310 1.00 0.00 C ATOM 310 C ASN A 21 5.536 -15.995 -1.689 1.00 0.00 C ATOM 311 O ASN A 21 4.504 -16.463 -2.159 1.00 0.00 O ATOM 312 CB ASN A 21 4.306 -14.363 -0.118 1.00 0.00 C ATOM 313 CG ASN A 21 4.074 -14.094 1.372 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.359 -14.819 2.047 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.694 -13.071 1.929 1.00 0.00 N ATOM 0 H ASN A 21 6.977 -13.932 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 21 5.336 -16.150 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.506 -13.425 -0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.405 -14.787 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.577 -12.884 2.925 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.291 -12.467 1.364 1.00 0.00 H new ATOM 322 N SER A 22 6.714 -16.079 -2.335 1.00 0.00 N ATOM 323 CA SER A 22 6.901 -16.743 -3.630 1.00 0.00 C ATOM 324 C SER A 22 5.961 -16.156 -4.682 1.00 0.00 C ATOM 325 O SER A 22 5.370 -16.852 -5.501 1.00 0.00 O ATOM 326 CB SER A 22 6.760 -18.259 -3.501 1.00 0.00 C ATOM 327 OG SER A 22 7.601 -18.735 -2.470 1.00 0.00 O ATOM 0 H SER A 22 7.575 -15.679 -1.962 1.00 0.00 H new ATOM 0 HA SER A 22 7.919 -16.553 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.724 -18.519 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.020 -18.739 -4.445 1.00 0.00 H new ATOM 0 HG SER A 22 7.504 -19.707 -2.392 1.00 0.00 H new ATOM 333 N TYR A 23 5.844 -14.832 -4.615 1.00 0.00 N ATOM 334 CA TYR A 23 5.216 -13.937 -5.558 1.00 0.00 C ATOM 335 C TYR A 23 3.694 -14.023 -5.578 1.00 0.00 C ATOM 336 O TYR A 23 3.029 -13.427 -6.426 1.00 0.00 O ATOM 337 CB TYR A 23 5.944 -14.049 -6.900 1.00 0.00 C ATOM 338 CG TYR A 23 7.461 -13.988 -6.755 1.00 0.00 C ATOM 339 CD1 TYR A 23 8.026 -13.146 -5.785 1.00 0.00 C ATOM 340 CD2 TYR A 23 8.303 -14.863 -7.465 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.389 -13.117 -5.542 1.00 0.00 C ATOM 342 CE2 TYR A 23 9.689 -14.874 -7.208 1.00 0.00 C ATOM 343 CZ TYR A 23 10.245 -13.984 -6.253 1.00 0.00 C ATOM 344 OH TYR A 23 11.580 -13.989 -5.978 1.00 0.00 O ATOM 0 H TYR A 23 6.226 -14.320 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 23 5.337 -12.904 -5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.667 -14.987 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.613 -13.244 -7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.378 -12.501 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.887 -15.527 -8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.795 -12.433 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.330 -15.562 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 23 12.030 -14.643 -6.553 1.00 0.00 H new ATOM 354 N MET A 24 3.148 -14.696 -4.568 1.00 0.00 N ATOM 355 CA MET A 24 1.742 -14.778 -4.285 1.00 0.00 C ATOM 356 C MET A 24 1.267 -13.444 -3.716 1.00 0.00 C ATOM 357 O MET A 24 1.144 -13.266 -2.502 1.00 0.00 O ATOM 358 CB MET A 24 1.458 -15.973 -3.362 1.00 0.00 C ATOM 359 CG MET A 24 1.950 -17.276 -4.000 1.00 0.00 C ATOM 360 SD MET A 24 1.342 -18.789 -3.207 1.00 0.00 S ATOM 361 CE MET A 24 2.501 -18.889 -1.817 1.00 0.00 C ATOM 0 H MET A 24 3.713 -15.220 -3.900 1.00 0.00 H new ATOM 0 HA MET A 24 1.175 -14.958 -5.198 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.951 -15.823 -2.402 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.388 -16.040 -3.164 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.650 -17.286 -5.048 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.040 -17.285 -3.980 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.198 -19.694 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.504 -19.088 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.498 -17.945 -1.272 1.00 0.00 H new ATOM 371 N GLU A 25 0.958 -12.506 -4.617 1.00 0.00 N ATOM 372 CA GLU A 25 0.333 -11.232 -4.286 1.00 0.00 C ATOM 373 C GLU A 25 -0.954 -11.432 -3.473 1.00 0.00 C ATOM 374 O GLU A 25 -1.330 -10.549 -2.708 1.00 0.00 O ATOM 375 CB GLU A 25 0.052 -10.444 -5.575 1.00 0.00 C ATOM 376 CG GLU A 25 0.006 -8.938 -5.295 1.00 0.00 C ATOM 377 CD GLU A 25 -0.831 -8.179 -6.324 1.00 0.00 C ATOM 378 OE1 GLU A 25 -0.334 -8.015 -7.460 1.00 0.00 O ATOM 379 OE2 GLU A 25 -1.959 -7.782 -5.951 1.00 0.00 O ATOM 0 H GLU A 25 1.141 -12.618 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 25 1.021 -10.661 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.826 -10.658 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.896 -10.767 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.406 -8.769 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.021 -8.541 -5.292 1.00 0.00 H new ATOM 386 N SER A 26 -1.597 -12.600 -3.583 1.00 0.00 N ATOM 387 CA SER A 26 -2.703 -13.053 -2.751 1.00 0.00 C ATOM 388 C SER A 26 -2.385 -12.952 -1.255 1.00 0.00 C ATOM 389 O SER A 26 -3.237 -12.526 -0.478 1.00 0.00 O ATOM 390 CB SER A 26 -3.016 -14.507 -3.125 1.00 0.00 C ATOM 391 OG SER A 26 -3.051 -14.666 -4.532 1.00 0.00 O ATOM 0 H SER A 26 -1.342 -13.286 -4.294 1.00 0.00 H new ATOM 0 HA SER A 26 -3.563 -12.409 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.262 -15.168 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.975 -14.799 -2.697 1.00 0.00 H new ATOM 0 HG SER A 26 -3.250 -15.600 -4.751 1.00 0.00 H new ATOM 397 N LYS A 27 -1.163 -13.312 -0.843 1.00 0.00 N ATOM 398 CA LYS A 27 -0.714 -13.177 0.534 1.00 0.00 C ATOM 399 C LYS A 27 -0.375 -11.715 0.826 1.00 0.00 C ATOM 400 O LYS A 27 -0.760 -11.170 1.860 1.00 0.00 O ATOM 401 CB LYS A 27 0.478 -14.110 0.826 1.00 0.00 C ATOM 402 CG LYS A 27 0.206 -15.573 0.422 1.00 0.00 C ATOM 403 CD LYS A 27 1.024 -16.610 1.199 1.00 0.00 C ATOM 404 CE LYS A 27 0.471 -18.013 0.943 1.00 0.00 C ATOM 405 NZ LYS A 27 1.261 -19.038 1.648 1.00 0.00 N ATOM 0 H LYS A 27 -0.459 -13.707 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.521 -13.481 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.356 -13.748 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.713 -14.069 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.854 -15.785 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.414 -15.688 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.070 -16.562 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.991 -16.386 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.567 -18.062 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.477 -18.219 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.861 -19.978 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.246 -19.006 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.234 -18.854 2.671 1.00 0.00 H new ATOM 419 N CYS A 28 0.301 -11.047 -0.116 1.00 0.00 N ATOM 420 CA CYS A 28 0.725 -9.667 0.010 1.00 0.00 C ATOM 421 C CYS A 28 -0.438 -8.666 -0.059 1.00 0.00 C ATOM 422 O CYS A 28 -0.205 -7.478 0.135 1.00 0.00 O ATOM 423 CB CYS A 28 1.867 -9.465 -0.982 1.00 0.00 C ATOM 424 SG CYS A 28 3.259 -10.535 -0.511 1.00 0.00 S ATOM 0 H CYS A 28 0.570 -11.470 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 28 1.109 -9.452 1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.534 -9.703 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.180 -8.421 -0.988 1.00 0.00 H new ATOM 426 N GLN A 29 -1.696 -9.110 -0.207 1.00 0.00 N ATOM 427 CA GLN A 29 -2.857 -8.238 -0.003 1.00 0.00 C ATOM 428 C GLN A 29 -2.817 -7.591 1.394 1.00 0.00 C ATOM 429 O GLN A 29 -3.312 -6.472 1.553 1.00 0.00 O ATOM 430 CB GLN A 29 -4.188 -8.986 -0.190 1.00 0.00 C ATOM 431 CG GLN A 29 -4.421 -9.559 -1.595 1.00 0.00 C ATOM 432 CD GLN A 29 -4.253 -8.539 -2.718 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.043 -7.616 -2.867 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.212 -8.699 -3.523 1.00 0.00 N ATOM 0 H GLN A 29 -1.932 -10.068 -0.467 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.801 -7.460 -0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.232 -9.803 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.006 -8.306 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.727 -10.383 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.427 -9.975 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.569 -9.477 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.054 -8.044 -4.289 1.00 0.00 H new ATOM 443 N ALA A 30 -2.177 -8.257 2.372 1.00 0.00 N ATOM 444 CA ALA A 30 -1.881 -7.737 3.699 1.00 0.00 C ATOM 445 C ALA A 30 -1.046 -6.468 3.626 1.00 0.00 C ATOM 446 O ALA A 30 -1.439 -5.419 4.124 1.00 0.00 O ATOM 447 CB ALA A 30 -1.078 -8.778 4.492 1.00 0.00 C ATOM 0 H ALA A 30 -1.842 -9.212 2.243 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.832 -7.517 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.857 -8.387 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.661 -9.694 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.145 -8.992 3.971 1.00 0.00 H new ATOM 453 N VAL A 31 0.143 -6.585 3.041 1.00 0.00 N ATOM 454 CA VAL A 31 1.116 -5.518 2.985 1.00 0.00 C ATOM 455 C VAL A 31 0.639 -4.426 2.028 1.00 0.00 C ATOM 456 O VAL A 31 0.925 -3.257 2.267 1.00 0.00 O ATOM 457 CB VAL A 31 2.480 -6.122 2.635 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.504 -6.715 1.236 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.622 -5.140 2.805 1.00 0.00 C ATOM 0 H VAL A 31 0.455 -7.443 2.587 1.00 0.00 H new ATOM 0 HA VAL A 31 1.229 -5.024 3.950 1.00 0.00 H new ATOM 0 HB VAL A 31 2.630 -6.929 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.491 -7.131 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.756 -7.504 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.282 -5.936 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.562 -5.626 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.463 -4.281 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.664 -4.806 3.842 1.00 0.00 H new ATOM 469 N ILE A 32 -0.145 -4.775 0.996 1.00 0.00 N ATOM 470 CA ILE A 32 -0.843 -3.814 0.169 1.00 0.00 C ATOM 471 C ILE A 32 -1.739 -3.023 1.115 1.00 0.00 C ATOM 472 O ILE A 32 -1.595 -1.808 1.185 1.00 0.00 O ATOM 473 CB ILE A 32 -1.555 -4.519 -1.008 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.524 -5.139 -1.986 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.444 -3.548 -1.801 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.085 -6.211 -2.921 1.00 0.00 C ATOM 0 H ILE A 32 -0.305 -5.744 0.721 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.180 -3.110 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.176 -5.300 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.093 -4.341 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.289 -5.574 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.927 -4.082 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.205 -3.130 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.832 -2.742 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.289 -6.584 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.489 -7.033 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.877 -5.781 -3.534 1.00 0.00 H new ATOM 488 N GLN A 33 -2.571 -3.675 1.931 1.00 0.00 N ATOM 489 CA GLN A 33 -3.384 -2.983 2.913 1.00 0.00 C ATOM 490 C GLN A 33 -2.563 -2.175 3.909 1.00 0.00 C ATOM 491 O GLN A 33 -3.037 -1.149 4.394 1.00 0.00 O ATOM 492 CB GLN A 33 -4.227 -4.005 3.693 1.00 0.00 C ATOM 493 CG GLN A 33 -5.686 -3.603 3.622 1.00 0.00 C ATOM 494 CD GLN A 33 -6.273 -3.617 2.202 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.173 -2.833 1.906 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.801 -4.472 1.300 1.00 0.00 N ATOM 0 H GLN A 33 -2.694 -4.688 1.924 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.013 -2.285 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.091 -5.002 3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.899 -4.048 4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.268 -4.277 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.797 -2.602 4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.054 -5.119 1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.185 -4.481 0.355 1.00 0.00 H new ATOM 505 N GLU A 34 -1.337 -2.596 4.220 1.00 0.00 N ATOM 506 CA GLU A 34 -0.514 -1.813 5.101 1.00 0.00 C ATOM 507 C GLU A 34 -0.051 -0.538 4.381 1.00 0.00 C ATOM 508 O GLU A 34 -0.018 0.540 4.973 1.00 0.00 O ATOM 509 CB GLU A 34 0.657 -2.675 5.579 1.00 0.00 C ATOM 510 CG GLU A 34 1.461 -1.885 6.595 1.00 0.00 C ATOM 511 CD GLU A 34 2.638 -2.697 7.132 1.00 0.00 C ATOM 512 OE1 GLU A 34 3.668 -2.739 6.422 1.00 0.00 O ATOM 513 OE2 GLU A 34 2.483 -3.273 8.230 1.00 0.00 O ATOM 0 H GLU A 34 -0.911 -3.457 3.877 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.078 -1.496 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.289 -3.599 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.287 -2.957 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.830 -0.968 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.815 -1.589 7.421 1.00 0.00 H new ATOM 520 N LEU A 35 0.253 -0.642 3.084 1.00 0.00 N ATOM 521 CA LEU A 35 0.551 0.475 2.213 1.00 0.00 C ATOM 522 C LEU A 35 -0.690 1.367 2.107 1.00 0.00 C ATOM 523 O LEU A 35 -0.552 2.580 2.002 1.00 0.00 O ATOM 524 CB LEU A 35 1.035 -0.088 0.864 1.00 0.00 C ATOM 525 CG LEU A 35 2.060 0.705 0.049 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.020 0.377 -1.444 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.030 2.228 0.204 1.00 0.00 C ATOM 0 H LEU A 35 0.297 -1.541 2.605 1.00 0.00 H new ATOM 0 HA LEU A 35 1.349 1.106 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.458 -1.075 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.157 -0.233 0.235 1.00 0.00 H new ATOM 0 HG LEU A 35 2.993 0.363 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.769 0.971 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.230 -0.683 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.032 0.608 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.803 2.673 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.054 2.606 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.212 2.491 1.246 1.00 0.00 H new ATOM 539 N ARG A 36 -1.904 0.808 2.207 1.00 0.00 N ATOM 540 CA ARG A 36 -3.151 1.567 2.119 1.00 0.00 C ATOM 541 C ARG A 36 -3.282 2.415 3.371 1.00 0.00 C ATOM 542 O ARG A 36 -3.523 3.620 3.292 1.00 0.00 O ATOM 543 CB ARG A 36 -4.377 0.648 2.019 1.00 0.00 C ATOM 544 CG ARG A 36 -4.513 -0.316 0.850 1.00 0.00 C ATOM 545 CD ARG A 36 -5.079 0.348 -0.373 1.00 0.00 C ATOM 546 NE ARG A 36 -5.159 -0.609 -1.492 1.00 0.00 N ATOM 547 CZ ARG A 36 -6.162 -1.478 -1.690 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.337 -1.303 -1.088 1.00 0.00 N ATOM 549 NH2 ARG A 36 -5.995 -2.527 -2.490 1.00 0.00 N ATOM 0 H ARG A 36 -2.045 -0.192 2.352 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.116 2.181 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.413 0.056 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.261 1.286 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.536 -0.737 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.156 -1.147 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.071 0.743 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.454 1.195 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.394 -0.610 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.480 -0.504 -0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.094 -1.968 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.100 -2.675 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.761 -3.184 -2.636 1.00 0.00 H new ATOM 563 N LYS A 37 -3.098 1.766 4.519 1.00 0.00 N ATOM 564 CA LYS A 37 -3.119 2.399 5.832 1.00 0.00 C ATOM 565 C LYS A 37 -2.012 3.444 5.958 1.00 0.00 C ATOM 566 O LYS A 37 -2.243 4.497 6.556 1.00 0.00 O ATOM 567 CB LYS A 37 -3.001 1.328 6.926 1.00 0.00 C ATOM 568 CG LYS A 37 -4.289 0.502 7.051 1.00 0.00 C ATOM 569 CD LYS A 37 -4.032 -0.787 7.841 1.00 0.00 C ATOM 570 CE LYS A 37 -5.323 -1.555 8.152 1.00 0.00 C ATOM 571 NZ LYS A 37 -6.076 -1.908 6.934 1.00 0.00 N ATOM 0 H LYS A 37 -2.926 0.761 4.561 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.069 2.920 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.165 0.667 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.780 1.805 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.058 1.092 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.667 0.257 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.359 -1.429 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.525 -0.542 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.078 -2.465 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.954 -0.950 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.894 -2.497 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.408 -1.040 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.458 -2.436 6.285 1.00 0.00 H new ATOM 585 N CYS A 38 -0.839 3.184 5.366 1.00 0.00 N ATOM 586 CA CYS A 38 0.213 4.172 5.215 1.00 0.00 C ATOM 587 C CYS A 38 -0.311 5.340 4.385 1.00 0.00 C ATOM 588 O CYS A 38 -0.207 6.487 4.790 1.00 0.00 O ATOM 589 CB CYS A 38 1.451 3.565 4.538 1.00 0.00 C ATOM 590 SG CYS A 38 2.753 4.786 4.252 1.00 0.00 S ATOM 0 H CYS A 38 -0.601 2.271 4.978 1.00 0.00 H new ATOM 0 HA CYS A 38 0.508 4.521 6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.843 2.760 5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.159 3.120 3.587 1.00 0.00 H new ATOM 592 N CYS A 39 -0.841 5.054 3.200 1.00 0.00 N ATOM 593 CA CYS A 39 -1.188 6.043 2.194 1.00 0.00 C ATOM 594 C CYS A 39 -2.241 7.015 2.686 1.00 0.00 C ATOM 595 O CYS A 39 -2.101 8.227 2.533 1.00 0.00 O ATOM 596 CB CYS A 39 -1.630 5.266 0.973 1.00 0.00 C ATOM 597 SG CYS A 39 -2.105 6.136 -0.529 1.00 0.00 S ATOM 0 H CYS A 39 -1.046 4.098 2.908 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.333 6.675 1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.819 4.587 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.478 4.649 1.271 1.00 0.00 H new ATOM 599 N ALA A 40 -3.258 6.464 3.337 1.00 0.00 N ATOM 600 CA ALA A 40 -4.383 7.211 3.857 1.00 0.00 C ATOM 601 C ALA A 40 -4.018 8.090 5.057 1.00 0.00 C ATOM 602 O ALA A 40 -4.878 8.807 5.563 1.00 0.00 O ATOM 603 CB ALA A 40 -5.497 6.230 4.234 1.00 0.00 C ATOM 0 H ALA A 40 -3.319 5.462 3.519 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.720 7.891 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.350 6.782 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.803 5.670 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.131 5.538 4.993 1.00 0.00 H new ATOM 609 N GLN A 41 -2.768 8.038 5.533 1.00 0.00 N ATOM 610 CA GLN A 41 -2.318 8.743 6.704 1.00 0.00 C ATOM 611 C GLN A 41 -1.818 10.153 6.351 1.00 0.00 C ATOM 612 O GLN A 41 -1.404 10.907 7.229 1.00 0.00 O ATOM 613 CB GLN A 41 -1.226 7.865 7.318 1.00 0.00 C ATOM 614 CG GLN A 41 -1.267 7.806 8.825 1.00 0.00 C ATOM 615 CD GLN A 41 -2.511 7.113 9.394 1.00 0.00 C ATOM 616 OE1 GLN A 41 -3.082 7.573 10.374 1.00 0.00 O ATOM 617 NE2 GLN A 41 -2.966 6.001 8.822 1.00 0.00 N ATOM 0 H GLN A 41 -2.034 7.485 5.091 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.126 8.906 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.320 6.854 6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.252 8.241 7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.379 7.284 9.181 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.219 8.821 9.219 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.491 5.617 8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.790 5.533 9.200 1.00 0.00 H new ATOM 626 N TYR A 42 -1.824 10.485 5.056 1.00 0.00 N ATOM 627 CA TYR A 42 -1.210 11.639 4.445 1.00 0.00 C ATOM 628 C TYR A 42 -2.078 12.178 3.311 1.00 0.00 C ATOM 629 O TYR A 42 -2.937 11.456 2.801 1.00 0.00 O ATOM 630 CB TYR A 42 0.147 11.247 3.880 1.00 0.00 C ATOM 631 CG TYR A 42 1.143 10.661 4.851 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.039 9.307 5.185 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.233 11.415 5.316 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.024 8.676 5.954 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.220 10.802 6.105 1.00 0.00 C ATOM 636 CZ TYR A 42 3.115 9.429 6.441 1.00 0.00 C ATOM 637 OH TYR A 42 4.074 8.816 7.188 1.00 0.00 O ATOM 0 H TYR A 42 -2.298 9.901 4.367 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.098 12.413 5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.014 10.524 3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.595 12.131 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.186 8.739 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.312 12.463 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.950 7.621 6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.062 11.379 6.457 1.00 0.00 H new ATOM 0 HH TYR A 42 4.756 9.471 7.445 1.00 0.00 H new ATOM 647 N PRO A 43 -1.845 13.428 2.871 1.00 0.00 N ATOM 648 CA PRO A 43 -2.409 13.915 1.620 1.00 0.00 C ATOM 649 C PRO A 43 -1.835 13.008 0.525 1.00 0.00 C ATOM 650 O PRO A 43 -0.619 12.974 0.365 1.00 0.00 O ATOM 651 CB PRO A 43 -1.938 15.374 1.482 1.00 0.00 C ATOM 652 CG PRO A 43 -1.382 15.742 2.861 1.00 0.00 C ATOM 653 CD PRO A 43 -0.934 14.407 3.449 1.00 0.00 C ATOM 0 HA PRO A 43 -3.497 13.893 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.175 15.471 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.762 16.030 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.550 16.442 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.141 16.217 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.102 14.187 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.996 14.412 4.537 1.00 0.00 H new ATOM 661 N LYS A 44 -2.644 12.236 -0.211 1.00 0.00 N ATOM 662 CA LYS A 44 -2.117 11.188 -1.095 1.00 0.00 C ATOM 663 C LYS A 44 -1.025 11.659 -2.067 1.00 0.00 C ATOM 664 O LYS A 44 -0.051 10.942 -2.293 1.00 0.00 O ATOM 665 CB LYS A 44 -3.267 10.464 -1.812 1.00 0.00 C ATOM 666 CG LYS A 44 -4.113 11.377 -2.719 1.00 0.00 C ATOM 667 CD LYS A 44 -5.295 10.600 -3.309 1.00 0.00 C ATOM 668 CE LYS A 44 -6.156 11.464 -4.238 1.00 0.00 C ATOM 669 NZ LYS A 44 -6.878 12.521 -3.506 1.00 0.00 N ATOM 0 H LYS A 44 -3.661 12.316 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.603 10.476 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.854 9.654 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.917 10.008 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.480 12.229 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.494 11.775 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.921 9.739 -3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.914 10.214 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.522 11.920 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.874 10.830 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.486 13.047 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.465 12.090 -2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.193 13.172 -3.072 1.00 0.00 H new ATOM 683 N GLY A 45 -1.143 12.897 -2.558 1.00 0.00 N ATOM 684 CA GLY A 45 -0.188 13.520 -3.462 1.00 0.00 C ATOM 685 C GLY A 45 1.154 13.869 -2.812 1.00 0.00 C ATOM 686 O GLY A 45 2.054 14.298 -3.530 1.00 0.00 O ATOM 0 H GLY A 45 -1.929 13.505 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.009 12.849 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.630 14.430 -3.869 1.00 0.00 H new ATOM 690 N ARG A 46 1.332 13.681 -1.493 1.00 0.00 N ATOM 691 CA ARG A 46 2.612 13.876 -0.808 1.00 0.00 C ATOM 692 C ARG A 46 3.655 12.798 -1.213 1.00 0.00 C ATOM 693 O ARG A 46 4.814 12.872 -0.808 1.00 0.00 O ATOM 694 CB ARG A 46 2.393 14.027 0.735 1.00 0.00 C ATOM 695 CG ARG A 46 2.895 12.892 1.624 1.00 0.00 C ATOM 696 CD ARG A 46 2.208 11.570 1.299 1.00 0.00 C ATOM 697 NE ARG A 46 2.766 10.523 2.139 1.00 0.00 N ATOM 698 CZ ARG A 46 2.403 9.246 2.135 1.00 0.00 C ATOM 699 NH1 ARG A 46 1.498 8.798 1.272 1.00 0.00 N ATOM 700 NH2 ARG A 46 2.934 8.439 3.040 1.00 0.00 N ATOM 0 H ARG A 46 0.580 13.386 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 46 3.053 14.816 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.878 14.948 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.325 14.150 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.972 12.782 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.720 13.145 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.134 11.654 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.348 11.322 0.247 1.00 0.00 H new ATOM 0 HE ARG A 46 3.503 10.794 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.073 9.438 0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.229 7.814 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.604 8.803 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.673 7.453 3.060 1.00 0.00 H new ATOM 714 N SER A 47 3.253 11.773 -1.982 1.00 0.00 N ATOM 715 CA SER A 47 4.007 10.566 -2.262 1.00 0.00 C ATOM 716 C SER A 47 3.813 10.143 -3.713 1.00 0.00 C ATOM 717 O SER A 47 2.790 10.442 -4.335 1.00 0.00 O ATOM 718 CB SER A 47 3.535 9.488 -1.273 1.00 0.00 C ATOM 719 OG SER A 47 3.737 8.144 -1.671 1.00 0.00 O ATOM 0 H SER A 47 2.344 11.776 -2.444 1.00 0.00 H new ATOM 0 HA SER A 47 5.077 10.730 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.048 9.645 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.471 9.635 -1.088 1.00 0.00 H new ATOM 0 HG SER A 47 4.328 7.698 -1.029 1.00 0.00 H new ATOM 725 N VAL A 48 4.795 9.404 -4.231 1.00 0.00 N ATOM 726 CA VAL A 48 4.743 8.743 -5.518 1.00 0.00 C ATOM 727 C VAL A 48 3.931 7.460 -5.379 1.00 0.00 C ATOM 728 O VAL A 48 2.908 7.314 -6.041 1.00 0.00 O ATOM 729 CB VAL A 48 6.153 8.459 -6.078 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.043 7.825 -7.472 1.00 0.00 C ATOM 731 CG2 VAL A 48 7.003 9.733 -6.185 1.00 0.00 C ATOM 0 H VAL A 48 5.676 9.249 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 48 4.258 9.405 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 48 6.642 7.778 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.042 7.627 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.488 6.889 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.521 8.508 -8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.986 9.482 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.512 10.443 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.115 10.179 -5.197 1.00 0.00 H new ATOM 741 N VAL A 49 4.377 6.525 -4.532 1.00 0.00 N ATOM 742 CA VAL A 49 3.804 5.188 -4.492 1.00 0.00 C ATOM 743 C VAL A 49 2.318 5.265 -4.140 1.00 0.00 C ATOM 744 O VAL A 49 1.510 4.647 -4.826 1.00 0.00 O ATOM 745 CB VAL A 49 4.602 4.261 -3.554 1.00 0.00 C ATOM 746 CG1 VAL A 49 6.100 4.255 -3.880 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.454 4.646 -2.081 1.00 0.00 C ATOM 0 H VAL A 49 5.135 6.677 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 49 3.878 4.739 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 49 4.179 3.270 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.619 3.588 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.248 3.909 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.499 5.264 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.036 3.960 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.816 5.663 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.404 4.589 -1.794 1.00 0.00 H new ATOM 757 N CYS A 50 1.949 6.084 -3.146 1.00 0.00 N ATOM 758 CA CYS A 50 0.583 6.274 -2.679 1.00 0.00 C ATOM 759 C CYS A 50 -0.268 6.930 -3.778 1.00 0.00 C ATOM 760 O CYS A 50 -1.463 6.642 -3.877 1.00 0.00 O ATOM 761 CB CYS A 50 0.648 7.161 -1.434 1.00 0.00 C ATOM 762 SG CYS A 50 -0.900 7.753 -0.706 1.00 0.00 S ATOM 0 H CYS A 50 2.624 6.650 -2.631 1.00 0.00 H new ATOM 0 HA CYS A 50 0.117 5.319 -2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.186 6.609 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.252 8.034 -1.681 1.00 0.00 H new ATOM 764 N SER A 51 0.347 7.745 -4.652 1.00 0.00 N ATOM 765 CA SER A 51 -0.311 8.284 -5.832 1.00 0.00 C ATOM 766 C SER A 51 -0.579 7.187 -6.871 1.00 0.00 C ATOM 767 O SER A 51 -1.486 7.355 -7.680 1.00 0.00 O ATOM 768 CB SER A 51 0.480 9.452 -6.432 1.00 0.00 C ATOM 769 OG SER A 51 0.554 10.525 -5.513 1.00 0.00 O ATOM 0 H SER A 51 1.317 8.043 -4.551 1.00 0.00 H new ATOM 0 HA SER A 51 -1.278 8.678 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.485 9.121 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.003 9.787 -7.353 1.00 0.00 H new ATOM 0 HG SER A 51 1.358 10.428 -4.961 1.00 0.00 H new ATOM 775 N GLY A 52 0.145 6.055 -6.837 1.00 0.00 N ATOM 776 CA GLY A 52 -0.237 4.862 -7.607 1.00 0.00 C ATOM 777 C GLY A 52 -1.403 4.156 -6.954 1.00 0.00 C ATOM 778 O GLY A 52 -2.316 3.608 -7.567 1.00 0.00 O ATOM 0 H GLY A 52 0.996 5.943 -6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.503 5.149 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.612 4.182 -7.679 1.00 0.00 H new ATOM 782 N PHE A 53 -1.302 4.155 -5.647 1.00 0.00 N ATOM 783 CA PHE A 53 -2.035 3.314 -4.770 1.00 0.00 C ATOM 784 C PHE A 53 -3.472 3.685 -4.521 1.00 0.00 C ATOM 785 O PHE A 53 -4.331 2.814 -4.456 1.00 0.00 O ATOM 786 CB PHE A 53 -1.233 3.360 -3.497 1.00 0.00 C ATOM 787 CG PHE A 53 -1.242 2.034 -2.895 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.758 0.932 -3.623 1.00 0.00 C ATOM 789 CD2 PHE A 53 -1.758 1.928 -1.619 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.818 -0.339 -3.044 1.00 0.00 C ATOM 791 CE2 PHE A 53 -1.787 0.676 -1.061 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.338 -0.443 -1.747 1.00 0.00 C ATOM 0 H PHE A 53 -0.667 4.781 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.142 2.326 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.210 3.674 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.657 4.091 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.347 1.066 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.123 2.793 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.475 -1.212 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.171 0.558 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.390 -1.412 -1.273 1.00 0.00 H new ATOM 802 N GLU A 54 -3.749 4.973 -4.409 1.00 0.00 N ATOM 803 CA GLU A 54 -5.125 5.432 -4.391 1.00 0.00 C ATOM 804 C GLU A 54 -5.814 5.159 -5.740 1.00 0.00 C ATOM 805 O GLU A 54 -7.037 5.037 -5.763 1.00 0.00 O ATOM 806 CB GLU A 54 -5.197 6.881 -3.896 1.00 0.00 C ATOM 807 CG GLU A 54 -4.936 6.909 -2.373 1.00 0.00 C ATOM 808 CD GLU A 54 -6.164 6.653 -1.494 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.126 6.020 -1.982 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.100 7.062 -0.313 1.00 0.00 O ATOM 0 H GLU A 54 -3.049 5.710 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.704 4.856 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.459 7.493 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.176 7.306 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.178 6.162 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.518 7.881 -2.110 1.00 0.00 H new