USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 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 54 CYS SG : rot -4:sc= 0.526 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.374 X(o=-0.78,f=-1.2) USER MOD Set 1.3: A 57 CYS SG : rot -66:sc= -1.1 USER MOD Set 1.4: A 75 CYS SG : rot -124:sc= -0.261 USER MOD Set 1.5: A 78 CYS SG : rot 84:sc= 0.431 USER MOD Set 2.1: A 28 CYS SG : rot 130:sc= 1.75 USER MOD Set 2.2: A 31 CYS SG : rot -69:sc= 0.354 USER MOD Set 2.3: A 48 HIS : no HD1:sc= -1.06! C(o=1!,f=-3.5!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.764 K(o=0.76,f=-3.9!) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0133) USER MOD Single : A 25 THR OG1 : rot 63:sc= 0.183 USER MOD Single : A 27 MET CE :methyl 143:sc= -2.47 (180deg=-5.73!) USER MOD Single : A 30 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.83) USER MOD Single : A 33 GLN : amide:sc=-0.000901 K(o=-0.0009,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 160:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0652 K(o=-0.065,f=-1.8!) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0823) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -135:sc= -0.661 (180deg=-3.27) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 133:sc= 0.39 USER MOD Single : A 81 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.354) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.397 5.528 8.409 1.00 0.00 N ATOM 122 CA LEU A 12 6.393 6.364 7.760 1.00 0.00 C ATOM 123 C LEU A 12 5.261 5.513 7.193 1.00 0.00 C ATOM 124 O LEU A 12 4.112 5.951 7.132 1.00 0.00 O ATOM 125 CB LEU A 12 7.034 7.191 6.645 1.00 0.00 C ATOM 126 CG LEU A 12 8.045 6.459 5.762 1.00 0.00 C ATOM 127 CD1 LEU A 12 7.332 5.533 4.789 1.00 0.00 C ATOM 128 CD2 LEU A 12 8.917 7.455 5.011 1.00 0.00 C ATOM 0 HA LEU A 12 5.976 7.037 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.241 7.581 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.531 8.049 7.097 1.00 0.00 H new ATOM 0 HG LEU A 12 8.687 5.855 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.068 5.021 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.751 4.798 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.665 6.116 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.631 6.916 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.289 8.086 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.456 8.077 5.725 1.00 0.00 H new ATOM 140 N VAL A 13 5.594 4.294 6.780 1.00 0.00 N ATOM 141 CA VAL A 13 4.605 3.381 6.220 1.00 0.00 C ATOM 142 C VAL A 13 3.254 3.546 6.906 1.00 0.00 C ATOM 143 O VAL A 13 3.132 3.349 8.114 1.00 0.00 O ATOM 144 CB VAL A 13 5.059 1.914 6.350 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.954 0.971 5.899 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.332 1.678 5.552 1.00 0.00 C ATOM 0 H VAL A 13 6.541 3.916 6.823 1.00 0.00 H new ATOM 0 HA VAL A 13 4.505 3.631 5.164 1.00 0.00 H new ATOM 0 HB VAL A 13 5.272 1.709 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.293 -0.060 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.070 1.124 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.706 1.173 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.638 0.637 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.149 1.900 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.123 2.328 5.928 1.00 0.00 H new ATOM 156 N GLN A 14 2.241 3.909 6.125 1.00 0.00 N ATOM 157 CA GLN A 14 0.897 4.101 6.658 1.00 0.00 C ATOM 158 C GLN A 14 -0.035 2.984 6.200 1.00 0.00 C ATOM 159 O GLN A 14 0.340 2.147 5.380 1.00 0.00 O ATOM 160 CB GLN A 14 0.341 5.457 6.221 1.00 0.00 C ATOM 161 CG GLN A 14 1.291 6.616 6.480 1.00 0.00 C ATOM 162 CD GLN A 14 0.746 7.940 5.981 1.00 0.00 C ATOM 163 OE1 GLN A 14 0.244 8.751 6.760 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.841 8.165 4.676 1.00 0.00 N ATOM 0 H GLN A 14 2.325 4.076 5.122 1.00 0.00 H new ATOM 0 HA GLN A 14 0.958 4.075 7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.109 5.419 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.596 5.642 6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.487 6.688 7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.246 6.414 5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.265 7.465 4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.490 9.038 4.282 1.00 0.00 H new ATOM 173 N ARG A 15 -1.251 2.979 6.736 1.00 0.00 N ATOM 174 CA ARG A 15 -2.237 1.964 6.383 1.00 0.00 C ATOM 175 C ARG A 15 -3.625 2.580 6.241 1.00 0.00 C ATOM 176 O ARG A 15 -4.024 3.426 7.040 1.00 0.00 O ATOM 177 CB ARG A 15 -2.263 0.859 7.440 1.00 0.00 C ATOM 178 CG ARG A 15 -0.921 0.175 7.640 1.00 0.00 C ATOM 179 CD ARG A 15 -1.067 -1.120 8.425 1.00 0.00 C ATOM 180 NE ARG A 15 -0.947 -0.904 9.864 1.00 0.00 N ATOM 181 CZ ARG A 15 -0.582 -1.850 10.722 1.00 0.00 C ATOM 182 NH1 ARG A 15 -0.301 -3.071 10.287 1.00 0.00 N ATOM 183 NH2 ARG A 15 -0.496 -1.576 12.017 1.00 0.00 N ATOM 0 H ARG A 15 -1.577 3.666 7.416 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.950 1.533 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.590 1.284 8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.003 0.112 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.470 -0.035 6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.244 0.847 8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.035 -1.570 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.305 -1.829 8.100 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.155 0.025 10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.365 -3.285 9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.021 -3.796 10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.710 -0.638 12.355 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.216 -2.303 12.675 1.00 0.00 H new ATOM 197 N ALA A 16 -4.356 2.151 5.217 1.00 0.00 N ATOM 198 CA ALA A 16 -5.700 2.659 4.971 1.00 0.00 C ATOM 199 C ALA A 16 -6.717 1.986 5.886 1.00 0.00 C ATOM 200 O ALA A 16 -6.752 0.761 5.995 1.00 0.00 O ATOM 201 CB ALA A 16 -6.083 2.455 3.513 1.00 0.00 C ATOM 0 H ALA A 16 -4.040 1.453 4.544 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.704 3.727 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.089 2.839 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.379 2.988 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.056 1.392 3.275 1.00 0.00 H new ATOM 207 N GLU A 17 -7.543 2.795 6.542 1.00 0.00 N ATOM 208 CA GLU A 17 -8.560 2.276 7.449 1.00 0.00 C ATOM 209 C GLU A 17 -9.679 1.586 6.674 1.00 0.00 C ATOM 210 O GLU A 17 -10.464 2.236 5.984 1.00 0.00 O ATOM 211 CB GLU A 17 -9.139 3.407 8.303 1.00 0.00 C ATOM 212 CG GLU A 17 -9.632 2.949 9.665 1.00 0.00 C ATOM 213 CD GLU A 17 -10.087 4.102 10.539 1.00 0.00 C ATOM 214 OE1 GLU A 17 -11.036 4.809 10.140 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.494 4.298 11.620 1.00 0.00 O ATOM 0 H GLU A 17 -7.528 3.812 6.462 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.087 1.542 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.377 4.174 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.965 3.872 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.458 2.251 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.834 2.406 10.172 1.00 0.00 H new ATOM 222 N HIS A 18 -9.744 0.263 6.794 1.00 0.00 N ATOM 223 CA HIS A 18 -10.766 -0.517 6.105 1.00 0.00 C ATOM 224 C HIS A 18 -12.163 -0.111 6.567 1.00 0.00 C ATOM 225 O HIS A 18 -12.478 -0.182 7.756 1.00 0.00 O ATOM 226 CB HIS A 18 -10.549 -2.010 6.349 1.00 0.00 C ATOM 227 CG HIS A 18 -9.493 -2.613 5.474 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.708 -3.730 4.696 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.208 -2.246 5.256 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.601 -4.025 4.038 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.676 -3.139 4.360 1.00 0.00 N ATOM 0 H HIS A 18 -9.102 -0.290 7.361 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.683 -0.316 5.037 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.275 -2.163 7.393 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.489 -2.537 6.185 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.697 -1.407 5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.474 -4.850 3.353 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.721 -3.121 4.001 1.00 0.00 H new ATOM 240 N ILE A 19 -12.994 0.313 5.622 1.00 0.00 N ATOM 241 CA ILE A 19 -14.356 0.729 5.933 1.00 0.00 C ATOM 242 C ILE A 19 -15.376 -0.203 5.289 1.00 0.00 C ATOM 243 O ILE A 19 -15.408 -0.383 4.071 1.00 0.00 O ATOM 244 CB ILE A 19 -14.626 2.171 5.463 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.628 3.136 6.107 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.054 2.577 5.794 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.819 3.294 7.600 1.00 0.00 C ATOM 0 H ILE A 19 -12.748 0.378 4.634 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.460 0.684 7.017 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.498 2.215 4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.616 2.782 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.720 4.112 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.230 3.598 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.749 1.904 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.208 2.520 6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.078 3.992 7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.819 3.678 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.697 2.326 8.087 1.00 0.00 H new ATOM 259 N PRO A 20 -16.233 -0.811 6.124 1.00 0.00 N ATOM 260 CA PRO A 20 -17.272 -1.733 5.658 1.00 0.00 C ATOM 261 C PRO A 20 -18.377 -1.019 4.886 1.00 0.00 C ATOM 262 O PRO A 20 -18.437 0.210 4.864 1.00 0.00 O ATOM 263 CB PRO A 20 -17.825 -2.329 6.955 1.00 0.00 C ATOM 264 CG PRO A 20 -17.541 -1.301 7.995 1.00 0.00 C ATOM 265 CD PRO A 20 -16.252 -0.643 7.586 1.00 0.00 C ATOM 0 HA PRO A 20 -16.877 -2.476 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.894 -2.527 6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.342 -3.277 7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.349 -0.572 8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.450 -1.758 8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.230 0.409 7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.391 -1.118 8.056 1.00 0.00 H new ATOM 273 N ALA A 21 -19.250 -1.798 4.255 1.00 0.00 N ATOM 274 CA ALA A 21 -20.354 -1.240 3.485 1.00 0.00 C ATOM 275 C ALA A 21 -21.415 -0.640 4.402 1.00 0.00 C ATOM 276 O ALA A 21 -21.580 -1.071 5.542 1.00 0.00 O ATOM 277 CB ALA A 21 -20.968 -2.308 2.592 1.00 0.00 C ATOM 0 H ALA A 21 -19.214 -2.817 4.262 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.959 -0.441 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.791 -1.877 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.211 -2.687 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.342 -3.126 3.208 1.00 0.00 H new ATOM 283 N GLY A 22 -22.133 0.358 3.895 1.00 0.00 N ATOM 284 CA GLY A 22 -23.168 1.001 4.683 1.00 0.00 C ATOM 285 C GLY A 22 -22.633 2.144 5.523 1.00 0.00 C ATOM 286 O GLY A 22 -23.173 3.250 5.497 1.00 0.00 O ATOM 0 H GLY A 22 -22.016 0.732 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.946 1.376 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.635 0.263 5.335 1.00 0.00 H new ATOM 290 N LYS A 23 -21.567 1.877 6.271 1.00 0.00 N ATOM 291 CA LYS A 23 -20.957 2.891 7.123 1.00 0.00 C ATOM 292 C LYS A 23 -20.926 4.245 6.421 1.00 0.00 C ATOM 293 O LYS A 23 -21.344 5.256 6.985 1.00 0.00 O ATOM 294 CB LYS A 23 -19.537 2.473 7.512 1.00 0.00 C ATOM 295 CG LYS A 23 -19.468 1.693 8.813 1.00 0.00 C ATOM 296 CD LYS A 23 -19.734 2.586 10.013 1.00 0.00 C ATOM 297 CE LYS A 23 -20.149 1.775 11.231 1.00 0.00 C ATOM 298 NZ LYS A 23 -21.567 1.328 11.142 1.00 0.00 N ATOM 0 H LYS A 23 -21.108 0.967 6.304 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.562 2.983 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.114 1.866 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.916 3.364 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.197 0.883 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.484 1.233 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.838 3.161 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.518 3.303 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.499 0.905 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.013 2.375 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.847 0.882 12.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.179 2.149 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.666 0.641 10.368 1.00 0.00 H new ATOM 312 N ARG A 24 -20.430 4.256 5.189 1.00 0.00 N ATOM 313 CA ARG A 24 -20.345 5.486 4.410 1.00 0.00 C ATOM 314 C ARG A 24 -20.162 5.178 2.927 1.00 0.00 C ATOM 315 O ARG A 24 -19.562 4.167 2.560 1.00 0.00 O ATOM 316 CB ARG A 24 -19.186 6.351 4.909 1.00 0.00 C ATOM 317 CG ARG A 24 -19.323 7.821 4.546 1.00 0.00 C ATOM 318 CD ARG A 24 -17.974 8.522 4.544 1.00 0.00 C ATOM 319 NE ARG A 24 -18.080 9.912 4.109 1.00 0.00 N ATOM 320 CZ ARG A 24 -18.583 10.882 4.865 1.00 0.00 C ATOM 321 NH1 ARG A 24 -19.023 10.615 6.087 1.00 0.00 N ATOM 322 NH2 ARG A 24 -18.646 12.123 4.398 1.00 0.00 N ATOM 0 H ARG A 24 -20.081 3.427 4.708 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.279 6.033 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.115 6.258 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.253 5.968 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.783 7.913 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.988 8.312 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.546 8.487 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.289 7.988 3.886 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.750 10.151 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.976 9.663 6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.409 11.362 6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.308 12.332 3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.032 12.867 4.979 1.00 0.00 H new ATOM 336 N THR A 25 -20.683 6.058 2.077 1.00 0.00 N ATOM 337 CA THR A 25 -20.579 5.881 0.634 1.00 0.00 C ATOM 338 C THR A 25 -19.936 7.096 -0.025 1.00 0.00 C ATOM 339 O THR A 25 -20.574 7.836 -0.774 1.00 0.00 O ATOM 340 CB THR A 25 -21.960 5.636 -0.003 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.872 6.666 0.394 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.511 4.278 0.406 1.00 0.00 C ATOM 0 H THR A 25 -21.181 6.901 2.364 1.00 0.00 H new ATOM 0 HA THR A 25 -19.950 5.006 0.468 1.00 0.00 H new ATOM 0 HB THR A 25 -21.844 5.652 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.554 7.531 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.487 4.127 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.829 3.494 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.613 4.238 1.491 1.00 0.00 H new ATOM 350 N PRO A 26 -18.643 7.309 0.259 1.00 0.00 N ATOM 351 CA PRO A 26 -17.885 8.434 -0.297 1.00 0.00 C ATOM 352 C PRO A 26 -17.633 8.280 -1.793 1.00 0.00 C ATOM 353 O PRO A 26 -17.777 7.191 -2.347 1.00 0.00 O ATOM 354 CB PRO A 26 -16.565 8.389 0.475 1.00 0.00 C ATOM 355 CG PRO A 26 -16.423 6.969 0.901 1.00 0.00 C ATOM 356 CD PRO A 26 -17.820 6.468 1.144 1.00 0.00 C ATOM 0 HA PRO A 26 -18.422 9.377 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.729 8.700 -0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.586 9.060 1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.925 6.379 0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.818 6.891 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.916 5.411 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.111 6.579 2.189 1.00 0.00 H new ATOM 364 N MET A 27 -17.256 9.377 -2.441 1.00 0.00 N ATOM 365 CA MET A 27 -16.982 9.363 -3.873 1.00 0.00 C ATOM 366 C MET A 27 -15.514 9.046 -4.143 1.00 0.00 C ATOM 367 O MET A 27 -14.620 9.738 -3.656 1.00 0.00 O ATOM 368 CB MET A 27 -17.348 10.710 -4.498 1.00 0.00 C ATOM 369 CG MET A 27 -17.853 10.600 -5.928 1.00 0.00 C ATOM 370 SD MET A 27 -19.645 10.423 -6.019 1.00 0.00 S ATOM 371 CE MET A 27 -19.842 9.836 -7.700 1.00 0.00 C ATOM 0 H MET A 27 -17.133 10.287 -1.997 1.00 0.00 H new ATOM 0 HA MET A 27 -17.593 8.583 -4.326 1.00 0.00 H new ATOM 0 HB2 MET A 27 -18.113 11.189 -3.887 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.473 11.360 -4.479 1.00 0.00 H new ATOM 0 HG2 MET A 27 -17.550 11.486 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 27 -17.382 9.744 -6.411 1.00 0.00 H new ATOM 0 HE1 MET A 27 -20.648 9.103 -7.737 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.085 10.675 -8.352 1.00 0.00 H new ATOM 0 HE3 MET A 27 -18.914 9.373 -8.035 1.00 0.00 H new ATOM 381 N CYS A 28 -15.274 7.995 -4.920 1.00 0.00 N ATOM 382 CA CYS A 28 -13.915 7.585 -5.254 1.00 0.00 C ATOM 383 C CYS A 28 -13.070 8.787 -5.666 1.00 0.00 C ATOM 384 O CYS A 28 -13.601 9.835 -6.035 1.00 0.00 O ATOM 385 CB CYS A 28 -13.934 6.551 -6.381 1.00 0.00 C ATOM 386 SG CYS A 28 -12.475 5.461 -6.415 1.00 0.00 S ATOM 0 H CYS A 28 -16.003 7.412 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.469 7.137 -4.366 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.830 5.938 -6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.008 7.071 -7.336 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.861 4.222 -6.496 1.00 0.00 H new ATOM 391 N ALA A 29 -11.753 8.628 -5.602 1.00 0.00 N ATOM 392 CA ALA A 29 -10.834 9.698 -5.970 1.00 0.00 C ATOM 393 C ALA A 29 -10.184 9.422 -7.321 1.00 0.00 C ATOM 394 O ALA A 29 -9.665 10.332 -7.969 1.00 0.00 O ATOM 395 CB ALA A 29 -9.771 9.874 -4.896 1.00 0.00 C ATOM 0 H ALA A 29 -11.298 7.767 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.406 10.622 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.092 10.676 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.249 10.126 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.210 8.946 -4.784 1.00 0.00 H new ATOM 401 N HIS A 30 -10.214 8.161 -7.741 1.00 0.00 N ATOM 402 CA HIS A 30 -9.627 7.766 -9.017 1.00 0.00 C ATOM 403 C HIS A 30 -10.688 7.718 -10.112 1.00 0.00 C ATOM 404 O HIS A 30 -10.622 8.466 -11.088 1.00 0.00 O ATOM 405 CB HIS A 30 -8.948 6.402 -8.888 1.00 0.00 C ATOM 406 CG HIS A 30 -8.589 5.785 -10.205 1.00 0.00 C ATOM 407 ND1 HIS A 30 -7.382 6.003 -10.834 1.00 0.00 N ATOM 408 CD2 HIS A 30 -9.287 4.951 -11.012 1.00 0.00 C ATOM 409 CE1 HIS A 30 -7.353 5.331 -11.972 1.00 0.00 C ATOM 410 NE2 HIS A 30 -8.497 4.684 -12.103 1.00 0.00 N ATOM 0 H HIS A 30 -10.638 7.396 -7.217 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.881 8.511 -9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.044 6.510 -8.288 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.610 5.725 -8.347 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.280 4.567 -10.831 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.533 5.314 -12.675 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.752 4.084 -12.887 1.00 0.00 H new ATOM 419 N CYS A 31 -11.665 6.833 -9.944 1.00 0.00 N ATOM 420 CA CYS A 31 -12.740 6.686 -10.918 1.00 0.00 C ATOM 421 C CYS A 31 -13.807 7.758 -10.716 1.00 0.00 C ATOM 422 O CYS A 31 -14.627 8.006 -11.599 1.00 0.00 O ATOM 423 CB CYS A 31 -13.369 5.296 -10.808 1.00 0.00 C ATOM 424 SG CYS A 31 -14.198 4.979 -9.218 1.00 0.00 S ATOM 0 H CYS A 31 -11.734 6.207 -9.142 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.314 6.806 -11.914 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.092 5.171 -11.614 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.593 4.545 -10.957 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.308 4.886 -8.275 1.00 0.00 H new ATOM 429 N ASN A 32 -13.790 8.389 -9.546 1.00 0.00 N ATOM 430 CA ASN A 32 -14.757 9.433 -9.227 1.00 0.00 C ATOM 431 C ASN A 32 -16.180 8.885 -9.258 1.00 0.00 C ATOM 432 O ASN A 32 -17.104 9.557 -9.715 1.00 0.00 O ATOM 433 CB ASN A 32 -14.625 10.597 -10.212 1.00 0.00 C ATOM 434 CG ASN A 32 -13.193 11.074 -10.355 1.00 0.00 C ATOM 435 OD1 ASN A 32 -12.429 10.548 -11.164 1.00 0.00 O ATOM 436 ND2 ASN A 32 -12.822 12.077 -9.567 1.00 0.00 N ATOM 0 H ASN A 32 -13.118 8.196 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.547 9.792 -8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.001 10.288 -11.187 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.249 11.425 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.871 12.441 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.489 12.483 -8.911 1.00 0.00 H new ATOM 443 N GLN A 33 -16.348 7.661 -8.767 1.00 0.00 N ATOM 444 CA GLN A 33 -17.658 7.023 -8.739 1.00 0.00 C ATOM 445 C GLN A 33 -18.043 6.634 -7.315 1.00 0.00 C ATOM 446 O GLN A 33 -17.248 6.041 -6.586 1.00 0.00 O ATOM 447 CB GLN A 33 -17.666 5.786 -9.638 1.00 0.00 C ATOM 448 CG GLN A 33 -17.146 6.051 -11.042 1.00 0.00 C ATOM 449 CD GLN A 33 -17.320 4.859 -11.963 1.00 0.00 C ATOM 450 OE1 GLN A 33 -18.040 3.913 -11.644 1.00 0.00 O ATOM 451 NE2 GLN A 33 -16.660 4.900 -13.115 1.00 0.00 N ATOM 0 H GLN A 33 -15.593 7.092 -8.383 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.391 7.739 -9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.059 5.007 -9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.684 5.401 -9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.669 6.910 -11.463 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.090 6.314 -10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.074 5.704 -13.339 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.739 4.127 -13.776 1.00 0.00 H new ATOM 460 N VAL A 34 -19.268 6.971 -6.926 1.00 0.00 N ATOM 461 CA VAL A 34 -19.760 6.657 -5.589 1.00 0.00 C ATOM 462 C VAL A 34 -19.501 5.196 -5.239 1.00 0.00 C ATOM 463 O VAL A 34 -19.722 4.302 -6.056 1.00 0.00 O ATOM 464 CB VAL A 34 -21.268 6.944 -5.463 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.059 6.075 -6.428 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.733 6.726 -4.032 1.00 0.00 C ATOM 0 H VAL A 34 -19.939 7.462 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.217 7.297 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.445 7.988 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.122 6.292 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.743 6.286 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.879 5.024 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.801 6.933 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.544 5.693 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.188 7.396 -3.366 1.00 0.00 H new ATOM 476 N ILE A 35 -19.031 4.960 -4.018 1.00 0.00 N ATOM 477 CA ILE A 35 -18.744 3.607 -3.559 1.00 0.00 C ATOM 478 C ILE A 35 -19.933 3.017 -2.808 1.00 0.00 C ATOM 479 O ILE A 35 -20.207 3.389 -1.667 1.00 0.00 O ATOM 480 CB ILE A 35 -17.506 3.574 -2.643 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.316 4.244 -3.333 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.167 2.141 -2.262 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.286 4.789 -2.369 1.00 0.00 C ATOM 0 H ILE A 35 -18.841 5.688 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.545 3.008 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.732 4.127 -1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.837 3.522 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.681 5.057 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.290 2.134 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.011 1.695 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.957 1.565 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.472 5.249 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.750 5.535 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.893 3.976 -1.759 1.00 0.00 H new ATOM 495 N ARG A 36 -20.636 2.094 -3.457 1.00 0.00 N ATOM 496 CA ARG A 36 -21.796 1.451 -2.851 1.00 0.00 C ATOM 497 C ARG A 36 -21.379 0.225 -2.045 1.00 0.00 C ATOM 498 O ARG A 36 -22.134 -0.739 -1.926 1.00 0.00 O ATOM 499 CB ARG A 36 -22.803 1.048 -3.929 1.00 0.00 C ATOM 500 CG ARG A 36 -23.694 2.190 -4.388 1.00 0.00 C ATOM 501 CD ARG A 36 -24.989 1.676 -4.999 1.00 0.00 C ATOM 502 NE ARG A 36 -25.682 2.710 -5.762 1.00 0.00 N ATOM 503 CZ ARG A 36 -26.563 2.449 -6.721 1.00 0.00 C ATOM 504 NH1 ARG A 36 -26.857 1.195 -7.032 1.00 0.00 N ATOM 505 NH2 ARG A 36 -27.153 3.445 -7.371 1.00 0.00 N ATOM 0 H ARG A 36 -20.423 1.775 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.265 2.166 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.263 0.652 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.429 0.242 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.922 2.838 -3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -23.161 2.797 -5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.772 0.829 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.643 1.310 -4.208 1.00 0.00 H new ATOM 0 HE ARG A 36 -25.478 3.686 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -26.406 0.427 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -27.534 0.998 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -26.930 4.412 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -27.829 3.244 -8.107 1.00 0.00 H new ATOM 519 N GLY A 37 -20.170 0.269 -1.492 1.00 0.00 N ATOM 520 CA GLY A 37 -19.673 -0.844 -0.705 1.00 0.00 C ATOM 521 C GLY A 37 -18.506 -0.454 0.180 1.00 0.00 C ATOM 522 O GLY A 37 -18.324 0.715 0.524 1.00 0.00 O ATOM 0 H GLY A 37 -19.526 1.056 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.480 -1.235 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.365 -1.648 -1.373 1.00 0.00 H new ATOM 526 N PRO A 38 -17.691 -1.447 0.565 1.00 0.00 N ATOM 527 CA PRO A 38 -16.523 -1.226 1.422 1.00 0.00 C ATOM 528 C PRO A 38 -15.414 -0.463 0.704 1.00 0.00 C ATOM 529 O PRO A 38 -14.995 -0.840 -0.391 1.00 0.00 O ATOM 530 CB PRO A 38 -16.060 -2.644 1.765 1.00 0.00 C ATOM 531 CG PRO A 38 -16.554 -3.486 0.639 1.00 0.00 C ATOM 532 CD PRO A 38 -17.848 -2.863 0.193 1.00 0.00 C ATOM 0 HA PRO A 38 -16.767 -0.620 2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.975 -2.696 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.472 -2.976 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.831 -3.510 -0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.707 -4.516 0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -18.003 -2.982 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.705 -3.317 0.691 1.00 0.00 H new ATOM 540 N PHE A 39 -14.942 0.611 1.328 1.00 0.00 N ATOM 541 CA PHE A 39 -13.882 1.428 0.748 1.00 0.00 C ATOM 542 C PHE A 39 -12.738 1.618 1.740 1.00 0.00 C ATOM 543 O PHE A 39 -12.835 1.219 2.901 1.00 0.00 O ATOM 544 CB PHE A 39 -14.433 2.789 0.320 1.00 0.00 C ATOM 545 CG PHE A 39 -14.827 3.666 1.475 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.889 4.472 2.101 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.133 3.684 1.935 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.248 5.280 3.163 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.498 4.490 2.997 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.554 5.288 3.612 1.00 0.00 C ATOM 0 H PHE A 39 -15.277 0.936 2.235 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.496 0.909 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.681 3.305 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.300 2.635 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.866 4.468 1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.875 3.061 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.508 5.905 3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.520 4.496 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.836 5.917 4.443 1.00 0.00 H new ATOM 560 N LEU A 40 -11.655 2.229 1.274 1.00 0.00 N ATOM 561 CA LEU A 40 -10.491 2.473 2.119 1.00 0.00 C ATOM 562 C LEU A 40 -10.175 3.963 2.193 1.00 0.00 C ATOM 563 O LEU A 40 -9.955 4.614 1.172 1.00 0.00 O ATOM 564 CB LEU A 40 -9.278 1.709 1.583 1.00 0.00 C ATOM 565 CG LEU A 40 -9.579 0.400 0.852 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.504 0.108 -0.184 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.694 -0.749 1.842 1.00 0.00 C ATOM 0 H LEU A 40 -11.558 2.565 0.316 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.721 2.119 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.732 2.364 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.613 1.491 2.419 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.533 0.505 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.735 -0.827 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.470 0.919 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.536 0.022 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.908 -1.673 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.756 -0.856 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.500 -0.543 2.546 1.00 0.00 H new ATOM 579 N VAL A 41 -10.151 4.498 3.410 1.00 0.00 N ATOM 580 CA VAL A 41 -9.858 5.911 3.619 1.00 0.00 C ATOM 581 C VAL A 41 -8.378 6.128 3.913 1.00 0.00 C ATOM 582 O VAL A 41 -7.871 5.699 4.949 1.00 0.00 O ATOM 583 CB VAL A 41 -10.691 6.491 4.778 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.841 5.467 5.893 1.00 0.00 C ATOM 585 CG2 VAL A 41 -10.056 7.771 5.301 1.00 0.00 C ATOM 0 H VAL A 41 -10.331 3.974 4.266 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.122 6.429 2.697 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.686 6.732 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.432 5.895 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.343 4.580 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.856 5.192 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.657 8.167 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.049 7.557 5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.006 8.507 4.498 1.00 0.00 H new ATOM 595 N ALA A 42 -7.690 6.796 2.993 1.00 0.00 N ATOM 596 CA ALA A 42 -6.268 7.073 3.154 1.00 0.00 C ATOM 597 C ALA A 42 -5.894 8.409 2.522 1.00 0.00 C ATOM 598 O ALA A 42 -6.463 8.808 1.505 1.00 0.00 O ATOM 599 CB ALA A 42 -5.440 5.950 2.548 1.00 0.00 C ATOM 0 H ALA A 42 -8.094 7.155 2.128 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.053 7.133 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.380 6.170 2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.678 5.011 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.667 5.863 1.486 1.00 0.00 H new ATOM 605 N LEU A 43 -4.934 9.098 3.131 1.00 0.00 N ATOM 606 CA LEU A 43 -4.484 10.391 2.628 1.00 0.00 C ATOM 607 C LEU A 43 -5.615 11.414 2.666 1.00 0.00 C ATOM 608 O LEU A 43 -5.627 12.370 1.892 1.00 0.00 O ATOM 609 CB LEU A 43 -3.958 10.249 1.198 1.00 0.00 C ATOM 610 CG LEU A 43 -2.478 9.891 1.061 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.631 10.755 1.982 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.256 8.415 1.359 1.00 0.00 C ATOM 0 H LEU A 43 -4.453 8.783 3.973 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.678 10.743 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.545 9.484 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.135 11.187 0.672 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.172 10.084 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.581 10.485 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.766 11.805 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.938 10.595 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.197 8.178 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.580 8.197 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.832 7.812 0.658 1.00 0.00 H new ATOM 624 N GLY A 44 -6.563 11.207 3.575 1.00 0.00 N ATOM 625 CA GLY A 44 -7.684 12.121 3.699 1.00 0.00 C ATOM 626 C GLY A 44 -8.727 11.908 2.620 1.00 0.00 C ATOM 627 O GLY A 44 -9.695 12.663 2.524 1.00 0.00 O ATOM 0 H GLY A 44 -6.575 10.423 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.147 11.993 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.319 13.147 3.650 1.00 0.00 H new ATOM 631 N LYS A 45 -8.530 10.879 1.804 1.00 0.00 N ATOM 632 CA LYS A 45 -9.461 10.568 0.725 1.00 0.00 C ATOM 633 C LYS A 45 -9.845 9.092 0.746 1.00 0.00 C ATOM 634 O LYS A 45 -9.313 8.314 1.537 1.00 0.00 O ATOM 635 CB LYS A 45 -8.843 10.927 -0.628 1.00 0.00 C ATOM 636 CG LYS A 45 -9.137 12.349 -1.073 1.00 0.00 C ATOM 637 CD LYS A 45 -8.440 12.678 -2.383 1.00 0.00 C ATOM 638 CE LYS A 45 -8.986 13.958 -2.998 1.00 0.00 C ATOM 639 NZ LYS A 45 -8.121 14.454 -4.105 1.00 0.00 N ATOM 0 H LYS A 45 -7.733 10.245 1.869 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.363 11.161 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.763 10.788 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.215 10.235 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.213 12.480 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.812 13.047 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.369 12.784 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.570 11.852 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.993 13.779 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.066 14.725 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.527 15.327 -4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.167 14.649 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.065 13.732 -4.852 1.00 0.00 H new ATOM 653 N SER A 46 -10.770 8.714 -0.130 1.00 0.00 N ATOM 654 CA SER A 46 -11.226 7.331 -0.211 1.00 0.00 C ATOM 655 C SER A 46 -10.797 6.693 -1.529 1.00 0.00 C ATOM 656 O SER A 46 -10.427 7.388 -2.475 1.00 0.00 O ATOM 657 CB SER A 46 -12.748 7.265 -0.071 1.00 0.00 C ATOM 658 OG SER A 46 -13.388 7.664 -1.271 1.00 0.00 O ATOM 0 H SER A 46 -11.218 9.346 -0.794 1.00 0.00 H new ATOM 0 HA SER A 46 -10.768 6.775 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.049 6.249 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.069 7.909 0.748 1.00 0.00 H new ATOM 0 HG SER A 46 -14.306 7.321 -1.282 1.00 0.00 H new ATOM 664 N TRP A 47 -10.850 5.367 -1.581 1.00 0.00 N ATOM 665 CA TRP A 47 -10.467 4.634 -2.783 1.00 0.00 C ATOM 666 C TRP A 47 -11.082 3.239 -2.789 1.00 0.00 C ATOM 667 O TRP A 47 -11.292 2.638 -1.734 1.00 0.00 O ATOM 668 CB TRP A 47 -8.944 4.534 -2.880 1.00 0.00 C ATOM 669 CG TRP A 47 -8.235 5.755 -2.377 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.180 6.198 -1.086 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.482 6.691 -3.156 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.438 7.352 -1.016 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.998 7.675 -2.272 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.168 6.792 -4.514 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.219 8.745 -2.704 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.395 7.855 -4.941 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.927 8.820 -4.039 1.00 0.00 C ATOM 0 H TRP A 47 -11.154 4.778 -0.806 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.844 5.180 -3.648 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.607 3.667 -2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.664 4.362 -3.919 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.651 5.712 -0.244 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.246 7.882 -0.166 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.523 6.053 -5.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.858 9.490 -2.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.147 7.944 -5.988 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.324 9.638 -4.404 1.00 0.00 H new ATOM 688 N HIS A 48 -11.368 2.728 -3.982 1.00 0.00 N ATOM 689 CA HIS A 48 -11.959 1.402 -4.124 1.00 0.00 C ATOM 690 C HIS A 48 -10.945 0.316 -3.777 1.00 0.00 C ATOM 691 O HIS A 48 -9.778 0.376 -4.163 1.00 0.00 O ATOM 692 CB HIS A 48 -12.472 1.200 -5.550 1.00 0.00 C ATOM 693 CG HIS A 48 -13.882 1.665 -5.750 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.223 2.679 -6.621 1.00 0.00 N ATOM 695 CD2 HIS A 48 -15.040 1.248 -5.188 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.530 2.867 -6.584 1.00 0.00 C ATOM 697 NE2 HIS A 48 -16.050 2.011 -5.723 1.00 0.00 N ATOM 0 H HIS A 48 -11.200 3.212 -4.864 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.797 1.328 -3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.820 1.734 -6.241 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.407 0.142 -5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -15.150 0.462 -4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.080 3.597 -7.160 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -17.040 1.930 -5.493 1.00 0.00 H new ATOM 705 N PRO A 49 -11.399 -0.701 -3.029 1.00 0.00 N ATOM 706 CA PRO A 49 -10.548 -1.820 -2.614 1.00 0.00 C ATOM 707 C PRO A 49 -10.163 -2.721 -3.782 1.00 0.00 C ATOM 708 O PRO A 49 -9.342 -3.625 -3.635 1.00 0.00 O ATOM 709 CB PRO A 49 -11.424 -2.581 -1.616 1.00 0.00 C ATOM 710 CG PRO A 49 -12.822 -2.246 -2.008 1.00 0.00 C ATOM 711 CD PRO A 49 -12.779 -0.838 -2.533 1.00 0.00 C ATOM 0 HA PRO A 49 -9.601 -1.478 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.244 -3.655 -1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.216 -2.274 -0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.190 -2.935 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.496 -2.324 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.509 -0.683 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.999 -0.111 -1.751 1.00 0.00 H new ATOM 719 N GLU A 50 -10.763 -2.468 -4.941 1.00 0.00 N ATOM 720 CA GLU A 50 -10.482 -3.258 -6.134 1.00 0.00 C ATOM 721 C GLU A 50 -9.544 -2.507 -7.076 1.00 0.00 C ATOM 722 O GLU A 50 -8.894 -3.109 -7.929 1.00 0.00 O ATOM 723 CB GLU A 50 -11.783 -3.604 -6.861 1.00 0.00 C ATOM 724 CG GLU A 50 -12.292 -2.491 -7.761 1.00 0.00 C ATOM 725 CD GLU A 50 -13.801 -2.508 -7.914 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.501 -2.453 -6.881 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.280 -2.575 -9.065 1.00 0.00 O ATOM 0 H GLU A 50 -11.446 -1.723 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.992 -4.180 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.627 -4.501 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.549 -3.842 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.983 -1.529 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.830 -2.584 -8.744 1.00 0.00 H new ATOM 734 N GLU A 51 -9.482 -1.190 -6.913 1.00 0.00 N ATOM 735 CA GLU A 51 -8.625 -0.357 -7.749 1.00 0.00 C ATOM 736 C GLU A 51 -7.356 0.041 -7.001 1.00 0.00 C ATOM 737 O GLU A 51 -6.267 0.069 -7.575 1.00 0.00 O ATOM 738 CB GLU A 51 -9.378 0.896 -8.201 1.00 0.00 C ATOM 739 CG GLU A 51 -10.514 0.608 -9.169 1.00 0.00 C ATOM 740 CD GLU A 51 -11.294 1.853 -9.541 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.243 2.836 -8.772 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.955 1.846 -10.600 1.00 0.00 O ATOM 0 H GLU A 51 -10.014 -0.677 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.342 -0.938 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.779 1.405 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.675 1.582 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.109 0.154 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.191 -0.120 -8.722 1.00 0.00 H new ATOM 749 N PHE A 52 -7.505 0.350 -5.717 1.00 0.00 N ATOM 750 CA PHE A 52 -6.372 0.749 -4.890 1.00 0.00 C ATOM 751 C PHE A 52 -5.191 -0.195 -5.095 1.00 0.00 C ATOM 752 O PHE A 52 -5.092 -1.233 -4.443 1.00 0.00 O ATOM 753 CB PHE A 52 -6.773 0.769 -3.414 1.00 0.00 C ATOM 754 CG PHE A 52 -5.829 1.551 -2.547 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.405 2.815 -2.925 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.364 1.022 -1.353 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.535 3.536 -2.129 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.495 1.738 -0.553 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.080 2.997 -0.941 1.00 0.00 C ATOM 0 H PHE A 52 -8.399 0.332 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.070 1.752 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.773 1.193 -3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.827 -0.256 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.758 3.242 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.685 0.038 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.211 4.520 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.140 1.314 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.401 3.559 -0.317 1.00 0.00 H new ATOM 769 N ASN A 53 -4.297 0.176 -6.006 1.00 0.00 N ATOM 770 CA ASN A 53 -3.122 -0.638 -6.299 1.00 0.00 C ATOM 771 C ASN A 53 -1.865 0.225 -6.364 1.00 0.00 C ATOM 772 O ASN A 53 -1.926 1.405 -6.710 1.00 0.00 O ATOM 773 CB ASN A 53 -3.310 -1.385 -7.620 1.00 0.00 C ATOM 774 CG ASN A 53 -4.194 -2.608 -7.472 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.971 -3.447 -6.599 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.204 -2.714 -8.328 1.00 0.00 N ATOM 0 H ASN A 53 -4.363 1.034 -6.554 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.003 -1.363 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.748 -0.711 -8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.336 -1.688 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.833 -3.515 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.351 -1.994 -9.035 1.00 0.00 H new ATOM 783 N CYS A 54 -0.726 -0.372 -6.029 1.00 0.00 N ATOM 784 CA CYS A 54 0.546 0.341 -6.049 1.00 0.00 C ATOM 785 C CYS A 54 0.722 1.102 -7.359 1.00 0.00 C ATOM 786 O CYS A 54 -0.110 1.007 -8.261 1.00 0.00 O ATOM 787 CB CYS A 54 1.705 -0.638 -5.855 1.00 0.00 C ATOM 788 SG CYS A 54 3.196 0.111 -5.124 1.00 0.00 S ATOM 0 H CYS A 54 -0.658 -1.348 -5.740 1.00 0.00 H new ATOM 0 HA CYS A 54 0.545 1.060 -5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.372 -1.456 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.965 -1.072 -6.820 1.00 0.00 H new ATOM 0 HG CYS A 54 3.013 1.390 -4.979 1.00 0.00 H new ATOM 793 N ALA A 55 1.811 1.858 -7.456 1.00 0.00 N ATOM 794 CA ALA A 55 2.098 2.634 -8.656 1.00 0.00 C ATOM 795 C ALA A 55 3.174 1.959 -9.501 1.00 0.00 C ATOM 796 O ALA A 55 3.368 2.304 -10.668 1.00 0.00 O ATOM 797 CB ALA A 55 2.526 4.045 -8.282 1.00 0.00 C ATOM 0 H ALA A 55 2.509 1.949 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 55 1.186 2.689 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.737 4.613 -9.188 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.725 4.533 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.423 4.001 -7.664 1.00 0.00 H new ATOM 803 N HIS A 56 3.871 0.997 -8.906 1.00 0.00 N ATOM 804 CA HIS A 56 4.928 0.275 -9.605 1.00 0.00 C ATOM 805 C HIS A 56 4.576 -1.203 -9.743 1.00 0.00 C ATOM 806 O HIS A 56 4.494 -1.732 -10.852 1.00 0.00 O ATOM 807 CB HIS A 56 6.256 0.427 -8.864 1.00 0.00 C ATOM 808 CG HIS A 56 7.309 -0.537 -9.316 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.255 -0.225 -10.270 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.564 -1.811 -8.938 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.044 -1.267 -10.461 1.00 0.00 C ATOM 812 NE2 HIS A 56 8.646 -2.243 -9.664 1.00 0.00 N ATOM 0 H HIS A 56 3.723 0.699 -7.942 1.00 0.00 H new ATOM 0 HA HIS A 56 5.027 0.702 -10.603 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.624 1.444 -9.000 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.084 0.290 -7.796 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.018 -2.382 -8.202 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.873 -1.313 -11.151 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.073 -3.167 -9.599 1.00 0.00 H new ATOM 821 N CYS A 57 4.370 -1.866 -8.610 1.00 0.00 N ATOM 822 CA CYS A 57 4.028 -3.283 -8.603 1.00 0.00 C ATOM 823 C CYS A 57 2.532 -3.483 -8.828 1.00 0.00 C ATOM 824 O CYS A 57 2.054 -4.612 -8.937 1.00 0.00 O ATOM 825 CB CYS A 57 4.445 -3.923 -7.277 1.00 0.00 C ATOM 826 SG CYS A 57 3.429 -3.416 -5.853 1.00 0.00 S ATOM 0 H CYS A 57 4.434 -1.444 -7.684 1.00 0.00 H new ATOM 0 HA CYS A 57 4.568 -3.765 -9.418 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.395 -5.007 -7.378 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.486 -3.670 -7.075 1.00 0.00 H new ATOM 0 HG CYS A 57 3.609 -2.150 -5.621 1.00 0.00 H new ATOM 831 N LYS A 58 1.797 -2.378 -8.896 1.00 0.00 N ATOM 832 CA LYS A 58 0.355 -2.429 -9.110 1.00 0.00 C ATOM 833 C LYS A 58 -0.271 -3.574 -8.319 1.00 0.00 C ATOM 834 O LYS A 58 -1.209 -4.220 -8.784 1.00 0.00 O ATOM 835 CB LYS A 58 0.045 -2.594 -10.599 1.00 0.00 C ATOM 836 CG LYS A 58 0.657 -1.512 -11.472 1.00 0.00 C ATOM 837 CD LYS A 58 -0.258 -0.304 -11.585 1.00 0.00 C ATOM 838 CE LYS A 58 -1.219 -0.441 -12.757 1.00 0.00 C ATOM 839 NZ LYS A 58 -0.534 -0.232 -14.063 1.00 0.00 N ATOM 0 H LYS A 58 2.176 -1.435 -8.806 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.073 -1.490 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.409 -3.566 -10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.036 -2.593 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.616 -1.205 -11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.855 -1.914 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.824 -0.187 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.342 0.598 -11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.674 -1.431 -12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.027 0.283 -12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.245 -0.114 -14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.060 0.620 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.062 -1.056 -14.278 1.00 0.00 H new ATOM 853 N ASN A 59 0.253 -3.816 -7.122 1.00 0.00 N ATOM 854 CA ASN A 59 -0.257 -4.882 -6.267 1.00 0.00 C ATOM 855 C ASN A 59 -1.292 -4.344 -5.285 1.00 0.00 C ATOM 856 O ASN A 59 -1.401 -3.134 -5.081 1.00 0.00 O ATOM 857 CB ASN A 59 0.892 -5.544 -5.503 1.00 0.00 C ATOM 858 CG ASN A 59 0.633 -7.014 -5.230 1.00 0.00 C ATOM 859 OD1 ASN A 59 0.233 -7.390 -4.128 1.00 0.00 O ATOM 860 ND2 ASN A 59 0.863 -7.851 -6.234 1.00 0.00 N ATOM 0 H ASN A 59 1.030 -3.289 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.738 -5.625 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.813 -5.440 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.044 -5.023 -4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.709 -8.852 -6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.194 -7.494 -7.130 1.00 0.00 H new ATOM 867 N THR A 60 -2.051 -5.250 -4.676 1.00 0.00 N ATOM 868 CA THR A 60 -3.077 -4.867 -3.716 1.00 0.00 C ATOM 869 C THR A 60 -2.471 -4.131 -2.527 1.00 0.00 C ATOM 870 O THR A 60 -1.604 -4.661 -1.833 1.00 0.00 O ATOM 871 CB THR A 60 -3.853 -6.095 -3.203 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.883 -5.681 -2.298 1.00 0.00 O ATOM 873 CG2 THR A 60 -2.919 -7.071 -2.503 1.00 0.00 C ATOM 0 H THR A 60 -1.974 -6.255 -4.831 1.00 0.00 H new ATOM 0 HA THR A 60 -3.766 -4.203 -4.238 1.00 0.00 H new ATOM 0 HB THR A 60 -4.303 -6.597 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.373 -6.467 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.489 -7.930 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.153 -7.407 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.445 -6.576 -1.655 1.00 0.00 H new ATOM 881 N MET A 61 -2.932 -2.905 -2.298 1.00 0.00 N ATOM 882 CA MET A 61 -2.435 -2.097 -1.191 1.00 0.00 C ATOM 883 C MET A 61 -3.520 -1.889 -0.139 1.00 0.00 C ATOM 884 O MET A 61 -3.619 -0.819 0.461 1.00 0.00 O ATOM 885 CB MET A 61 -1.938 -0.743 -1.702 1.00 0.00 C ATOM 886 CG MET A 61 -0.710 -0.843 -2.593 1.00 0.00 C ATOM 887 SD MET A 61 0.279 0.664 -2.584 1.00 0.00 S ATOM 888 CE MET A 61 -0.910 1.852 -3.205 1.00 0.00 C ATOM 0 H MET A 61 -3.648 -2.450 -2.864 1.00 0.00 H new ATOM 0 HA MET A 61 -1.604 -2.631 -0.730 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.740 -0.256 -2.256 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.707 -0.105 -0.849 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.094 -1.679 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.023 -1.061 -3.614 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.436 2.481 -3.959 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.753 1.324 -3.651 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.265 2.475 -2.384 1.00 0.00 H new ATOM 898 N ALA A 62 -4.332 -2.919 0.079 1.00 0.00 N ATOM 899 CA ALA A 62 -5.408 -2.849 1.059 1.00 0.00 C ATOM 900 C ALA A 62 -4.927 -3.295 2.435 1.00 0.00 C ATOM 901 O ALA A 62 -5.113 -2.590 3.427 1.00 0.00 O ATOM 902 CB ALA A 62 -6.588 -3.699 0.609 1.00 0.00 C ATOM 0 H ALA A 62 -4.264 -3.811 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.730 -1.810 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.385 -3.637 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.956 -3.333 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.270 -4.736 0.503 1.00 0.00 H new ATOM 908 N TYR A 63 -4.309 -4.469 2.489 1.00 0.00 N ATOM 909 CA TYR A 63 -3.804 -5.010 3.745 1.00 0.00 C ATOM 910 C TYR A 63 -2.422 -4.449 4.064 1.00 0.00 C ATOM 911 O TYR A 63 -2.156 -4.024 5.189 1.00 0.00 O ATOM 912 CB TYR A 63 -3.743 -6.537 3.679 1.00 0.00 C ATOM 913 CG TYR A 63 -4.980 -7.167 3.081 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.088 -7.371 1.711 1.00 0.00 C ATOM 915 CD2 TYR A 63 -6.042 -7.560 3.887 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.217 -7.945 1.160 1.00 0.00 C ATOM 917 CE2 TYR A 63 -7.175 -8.137 3.345 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.258 -8.327 1.981 1.00 0.00 C ATOM 919 OH TYR A 63 -8.384 -8.901 1.437 1.00 0.00 O ATOM 0 H TYR A 63 -4.146 -5.065 1.677 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.489 -4.714 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.874 -6.832 3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.595 -6.930 4.685 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.274 -7.075 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.981 -7.412 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.285 -8.094 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.991 -8.437 3.986 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.021 -9.112 2.151 1.00 0.00 H new ATOM 929 N ILE A 64 -1.545 -4.448 3.065 1.00 0.00 N ATOM 930 CA ILE A 64 -0.191 -3.937 3.237 1.00 0.00 C ATOM 931 C ILE A 64 -0.192 -2.421 3.398 1.00 0.00 C ATOM 932 O ILE A 64 -1.217 -1.767 3.208 1.00 0.00 O ATOM 933 CB ILE A 64 0.709 -4.316 2.047 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.101 -3.808 0.738 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.911 -5.823 1.993 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.049 -3.884 -0.439 1.00 0.00 C ATOM 0 H ILE A 64 -1.749 -4.796 2.128 1.00 0.00 H new ATOM 0 HA ILE A 64 0.207 -4.395 4.142 1.00 0.00 H new ATOM 0 HB ILE A 64 1.682 -3.844 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.793 -4.390 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.217 -2.774 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.549 -6.074 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.383 -6.160 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.055 -6.316 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.551 -3.508 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.932 -3.279 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.348 -4.920 -0.599 1.00 0.00 H new ATOM 948 N GLY A 65 0.965 -1.867 3.748 1.00 0.00 N ATOM 949 CA GLY A 65 1.076 -0.431 3.926 1.00 0.00 C ATOM 950 C GLY A 65 1.396 0.291 2.632 1.00 0.00 C ATOM 951 O GLY A 65 1.266 -0.277 1.547 1.00 0.00 O ATOM 0 H GLY A 65 1.827 -2.387 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.141 -0.045 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.854 -0.218 4.659 1.00 0.00 H new ATOM 955 N PHE A 66 1.813 1.547 2.745 1.00 0.00 N ATOM 956 CA PHE A 66 2.149 2.349 1.574 1.00 0.00 C ATOM 957 C PHE A 66 2.818 3.658 1.985 1.00 0.00 C ATOM 958 O PHE A 66 2.693 4.100 3.127 1.00 0.00 O ATOM 959 CB PHE A 66 0.892 2.642 0.752 1.00 0.00 C ATOM 960 CG PHE A 66 -0.199 3.306 1.542 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.133 4.658 1.839 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.292 2.579 1.986 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.136 5.271 2.566 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.298 3.187 2.714 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.220 4.535 3.003 1.00 0.00 C ATOM 0 H PHE A 66 1.927 2.032 3.635 1.00 0.00 H new ATOM 0 HA PHE A 66 2.849 1.779 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.159 3.280 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.513 1.708 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.711 5.239 1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.359 1.525 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.072 6.325 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.143 2.609 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.005 5.013 3.570 1.00 0.00 H new ATOM 975 N VAL A 67 3.530 4.272 1.045 1.00 0.00 N ATOM 976 CA VAL A 67 4.219 5.530 1.308 1.00 0.00 C ATOM 977 C VAL A 67 3.954 6.543 0.200 1.00 0.00 C ATOM 978 O VAL A 67 4.107 6.239 -0.982 1.00 0.00 O ATOM 979 CB VAL A 67 5.738 5.320 1.443 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.414 6.598 1.916 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.034 4.168 2.392 1.00 0.00 C ATOM 0 H VAL A 67 3.645 3.919 0.095 1.00 0.00 H new ATOM 0 HA VAL A 67 3.828 5.915 2.250 1.00 0.00 H new ATOM 0 HB VAL A 67 6.141 5.066 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.487 6.430 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.230 7.395 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.010 6.886 2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.112 4.033 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.619 4.390 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.583 3.254 2.006 1.00 0.00 H new ATOM 991 N GLU A 68 3.556 7.750 0.592 1.00 0.00 N ATOM 992 CA GLU A 68 3.269 8.808 -0.369 1.00 0.00 C ATOM 993 C GLU A 68 4.530 9.602 -0.697 1.00 0.00 C ATOM 994 O GLU A 68 5.185 10.141 0.194 1.00 0.00 O ATOM 995 CB GLU A 68 2.191 9.747 0.179 1.00 0.00 C ATOM 996 CG GLU A 68 2.070 11.050 -0.592 1.00 0.00 C ATOM 997 CD GLU A 68 0.997 11.963 -0.030 1.00 0.00 C ATOM 998 OE1 GLU A 68 1.192 12.491 1.084 1.00 0.00 O ATOM 999 OE2 GLU A 68 -0.038 12.148 -0.704 1.00 0.00 O ATOM 0 H GLU A 68 3.425 8.019 1.567 1.00 0.00 H new ATOM 0 HA GLU A 68 2.905 8.342 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.230 9.233 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.413 9.971 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.029 11.568 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.845 10.831 -1.636 1.00 0.00 H new ATOM 1006 N GLU A 69 4.864 9.666 -1.982 1.00 0.00 N ATOM 1007 CA GLU A 69 6.048 10.392 -2.427 1.00 0.00 C ATOM 1008 C GLU A 69 5.830 10.989 -3.815 1.00 0.00 C ATOM 1009 O GLU A 69 5.449 10.287 -4.752 1.00 0.00 O ATOM 1010 CB GLU A 69 7.265 9.465 -2.444 1.00 0.00 C ATOM 1011 CG GLU A 69 8.493 10.085 -3.089 1.00 0.00 C ATOM 1012 CD GLU A 69 9.450 9.046 -3.641 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.990 7.935 -3.978 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.659 9.345 -3.736 1.00 0.00 O ATOM 0 H GLU A 69 4.332 9.225 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 69 6.230 11.206 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.508 9.179 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.007 8.550 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.179 10.749 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.014 10.699 -2.354 1.00 0.00 H new ATOM 1021 N LYS A 70 6.074 12.289 -3.938 1.00 0.00 N ATOM 1022 CA LYS A 70 5.906 12.982 -5.210 1.00 0.00 C ATOM 1023 C LYS A 70 4.638 12.518 -5.920 1.00 0.00 C ATOM 1024 O LYS A 70 4.673 12.140 -7.090 1.00 0.00 O ATOM 1025 CB LYS A 70 7.122 12.745 -6.108 1.00 0.00 C ATOM 1026 CG LYS A 70 8.291 13.666 -5.805 1.00 0.00 C ATOM 1027 CD LYS A 70 9.273 13.721 -6.963 1.00 0.00 C ATOM 1028 CE LYS A 70 10.560 14.431 -6.570 1.00 0.00 C ATOM 1029 NZ LYS A 70 11.658 14.167 -7.540 1.00 0.00 N ATOM 0 H LYS A 70 6.389 12.884 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 70 5.816 14.049 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.448 11.711 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.826 12.878 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.920 14.669 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.804 13.320 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.502 12.709 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.814 14.237 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.379 15.504 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.867 14.103 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.517 14.668 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.849 13.145 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.376 14.503 -8.483 1.00 0.00 H new ATOM 1043 N GLY A 71 3.519 12.549 -5.203 1.00 0.00 N ATOM 1044 CA GLY A 71 2.256 12.130 -5.782 1.00 0.00 C ATOM 1045 C GLY A 71 2.287 10.693 -6.263 1.00 0.00 C ATOM 1046 O GLY A 71 1.877 10.398 -7.385 1.00 0.00 O ATOM 0 H GLY A 71 3.464 12.857 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.464 12.245 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.008 12.784 -6.618 1.00 0.00 H new ATOM 1050 N ALA A 72 2.776 9.796 -5.412 1.00 0.00 N ATOM 1051 CA ALA A 72 2.859 8.382 -5.757 1.00 0.00 C ATOM 1052 C ALA A 72 2.864 7.512 -4.505 1.00 0.00 C ATOM 1053 O ALA A 72 3.537 7.824 -3.521 1.00 0.00 O ATOM 1054 CB ALA A 72 4.102 8.115 -6.592 1.00 0.00 C ATOM 0 H ALA A 72 3.120 10.024 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 72 1.978 8.124 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.151 7.055 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.058 8.703 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.989 8.395 -6.024 1.00 0.00 H new ATOM 1060 N LEU A 73 2.108 6.420 -4.546 1.00 0.00 N ATOM 1061 CA LEU A 73 2.025 5.503 -3.414 1.00 0.00 C ATOM 1062 C LEU A 73 2.845 4.243 -3.672 1.00 0.00 C ATOM 1063 O LEU A 73 2.611 3.526 -4.644 1.00 0.00 O ATOM 1064 CB LEU A 73 0.567 5.130 -3.142 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.359 6.281 -2.749 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.805 5.812 -2.705 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.056 6.865 -1.407 1.00 0.00 C ATOM 0 H LEU A 73 1.544 6.148 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 73 2.435 6.007 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.162 4.654 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.546 4.386 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.276 7.063 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.449 6.645 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.098 5.443 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.906 5.012 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.614 7.683 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.003 6.091 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.077 7.240 -1.474 1.00 0.00 H new ATOM 1079 N TYR A 74 3.806 3.980 -2.793 1.00 0.00 N ATOM 1080 CA TYR A 74 4.661 2.806 -2.925 1.00 0.00 C ATOM 1081 C TYR A 74 4.578 1.928 -1.680 1.00 0.00 C ATOM 1082 O TYR A 74 4.820 2.388 -0.564 1.00 0.00 O ATOM 1083 CB TYR A 74 6.111 3.231 -3.167 1.00 0.00 C ATOM 1084 CG TYR A 74 6.278 4.176 -4.335 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.100 3.737 -5.641 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.614 5.509 -4.133 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.253 4.597 -6.711 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.766 6.377 -5.197 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.585 5.916 -6.484 1.00 0.00 C ATOM 1090 OH TYR A 74 6.738 6.777 -7.547 1.00 0.00 O ATOM 0 H TYR A 74 4.012 4.563 -1.982 1.00 0.00 H new ATOM 0 HA TYR A 74 4.311 2.227 -3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.496 3.709 -2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.717 2.342 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.837 2.705 -5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.759 5.873 -3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.113 4.238 -7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.025 7.411 -5.022 1.00 0.00 H new ATOM 0 HH TYR A 74 6.971 7.669 -7.215 1.00 0.00 H new ATOM 1100 N CYS A 75 4.234 0.661 -1.880 1.00 0.00 N ATOM 1101 CA CYS A 75 4.117 -0.284 -0.776 1.00 0.00 C ATOM 1102 C CYS A 75 5.456 -0.456 -0.065 1.00 0.00 C ATOM 1103 O CYS A 75 6.516 -0.273 -0.663 1.00 0.00 O ATOM 1104 CB CYS A 75 3.621 -1.638 -1.286 1.00 0.00 C ATOM 1105 SG CYS A 75 4.749 -2.447 -2.466 1.00 0.00 S ATOM 0 H CYS A 75 4.031 0.264 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 75 3.395 0.115 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.467 -2.301 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.651 -1.501 -1.763 1.00 0.00 H new ATOM 0 HG CYS A 75 4.112 -2.703 -3.570 1.00 0.00 H new ATOM 1110 N GLU A 76 5.399 -0.809 1.216 1.00 0.00 N ATOM 1111 CA GLU A 76 6.607 -1.005 2.009 1.00 0.00 C ATOM 1112 C GLU A 76 7.667 -1.755 1.208 1.00 0.00 C ATOM 1113 O GLU A 76 8.857 -1.448 1.292 1.00 0.00 O ATOM 1114 CB GLU A 76 6.283 -1.774 3.292 1.00 0.00 C ATOM 1115 CG GLU A 76 5.612 -3.114 3.045 1.00 0.00 C ATOM 1116 CD GLU A 76 5.553 -3.975 4.292 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.587 -3.828 5.070 1.00 0.00 O ATOM 1118 OE2 GLU A 76 6.472 -4.797 4.489 1.00 0.00 O ATOM 0 H GLU A 76 4.530 -0.965 1.726 1.00 0.00 H new ATOM 0 HA GLU A 76 7.001 -0.023 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.205 -1.936 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.634 -1.162 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.600 -2.947 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.153 -3.649 2.264 1.00 0.00 H new ATOM 1125 N LEU A 77 7.228 -2.740 0.432 1.00 0.00 N ATOM 1126 CA LEU A 77 8.138 -3.535 -0.384 1.00 0.00 C ATOM 1127 C LEU A 77 8.912 -2.650 -1.356 1.00 0.00 C ATOM 1128 O LEU A 77 10.137 -2.550 -1.280 1.00 0.00 O ATOM 1129 CB LEU A 77 7.362 -4.603 -1.156 1.00 0.00 C ATOM 1130 CG LEU A 77 7.029 -5.881 -0.385 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.944 -6.669 -1.101 1.00 0.00 C ATOM 1132 CD2 LEU A 77 8.277 -6.733 -0.202 1.00 0.00 C ATOM 0 H LEU A 77 6.247 -3.007 0.351 1.00 0.00 H new ATOM 0 HA LEU A 77 8.851 -4.023 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.430 -4.162 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.940 -4.876 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 77 6.656 -5.602 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.720 -7.575 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.044 -6.059 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.289 -6.938 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.022 -7.638 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.679 -7.003 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.025 -6.168 0.355 1.00 0.00 H new ATOM 1144 N CYS A 78 8.189 -2.009 -2.268 1.00 0.00 N ATOM 1145 CA CYS A 78 8.806 -1.130 -3.254 1.00 0.00 C ATOM 1146 C CYS A 78 9.758 -0.144 -2.584 1.00 0.00 C ATOM 1147 O CYS A 78 10.922 -0.029 -2.969 1.00 0.00 O ATOM 1148 CB CYS A 78 7.732 -0.370 -4.034 1.00 0.00 C ATOM 1149 SG CYS A 78 6.818 -1.394 -5.232 1.00 0.00 S ATOM 0 H CYS A 78 7.175 -2.082 -2.345 1.00 0.00 H new ATOM 0 HA CYS A 78 9.379 -1.747 -3.946 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.024 0.063 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.201 0.459 -4.564 1.00 0.00 H new ATOM 0 HG CYS A 78 5.853 -2.017 -4.623 1.00 0.00 H new ATOM 1154 N TYR A 79 9.255 0.566 -1.580 1.00 0.00 N ATOM 1155 CA TYR A 79 10.059 1.544 -0.858 1.00 0.00 C ATOM 1156 C TYR A 79 11.292 0.889 -0.242 1.00 0.00 C ATOM 1157 O TYR A 79 12.423 1.195 -0.617 1.00 0.00 O ATOM 1158 CB TYR A 79 9.225 2.214 0.235 1.00 0.00 C ATOM 1159 CG TYR A 79 9.987 3.249 1.031 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.996 2.875 1.909 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.699 4.603 0.903 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.695 3.817 2.638 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.394 5.553 1.627 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.390 5.155 2.493 1.00 0.00 C ATOM 1165 OH TYR A 79 12.085 6.097 3.217 1.00 0.00 O ATOM 0 H TYR A 79 8.294 0.482 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 79 10.389 2.301 -1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.356 2.687 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.851 1.449 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.238 1.829 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.919 4.918 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.476 3.508 3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.158 6.601 1.515 1.00 0.00 H new ATOM 0 HH TYR A 79 12.363 6.826 2.624 1.00 0.00 H new ATOM 1175 N GLU A 80 11.062 -0.016 0.705 1.00 0.00 N ATOM 1176 CA GLU A 80 12.153 -0.715 1.373 1.00 0.00 C ATOM 1177 C GLU A 80 13.096 -1.352 0.355 1.00 0.00 C ATOM 1178 O GLU A 80 14.240 -1.677 0.670 1.00 0.00 O ATOM 1179 CB GLU A 80 11.601 -1.788 2.313 1.00 0.00 C ATOM 1180 CG GLU A 80 12.677 -2.655 2.946 1.00 0.00 C ATOM 1181 CD GLU A 80 12.101 -3.805 3.750 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.010 -3.634 4.333 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.743 -4.875 3.796 1.00 0.00 O ATOM 0 H GLU A 80 10.131 -0.282 1.026 1.00 0.00 H new ATOM 0 HA GLU A 80 12.715 0.015 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.024 -1.306 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.912 -2.425 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.325 -3.052 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.300 -2.039 3.595 1.00 0.00 H new ATOM 1190 N LYS A 81 12.605 -1.527 -0.868 1.00 0.00 N ATOM 1191 CA LYS A 81 13.401 -2.124 -1.934 1.00 0.00 C ATOM 1192 C LYS A 81 14.342 -1.095 -2.551 1.00 0.00 C ATOM 1193 O LYS A 81 15.535 -1.350 -2.716 1.00 0.00 O ATOM 1194 CB LYS A 81 12.488 -2.709 -3.014 1.00 0.00 C ATOM 1195 CG LYS A 81 12.114 -4.161 -2.773 1.00 0.00 C ATOM 1196 CD LYS A 81 10.920 -4.577 -3.615 1.00 0.00 C ATOM 1197 CE LYS A 81 11.350 -5.056 -4.993 1.00 0.00 C ATOM 1198 NZ LYS A 81 11.443 -3.934 -5.967 1.00 0.00 N ATOM 0 H LYS A 81 11.659 -1.264 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 81 14.000 -2.925 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.577 -2.113 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.984 -2.626 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.965 -4.800 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.885 -4.308 -1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.374 -5.371 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.235 -3.735 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.317 -5.553 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.638 -5.796 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.994 -4.214 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.957 -3.099 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.443 -3.704 -6.138 1.00 0.00 H new ATOM 1212 N PHE A 82 13.798 0.070 -2.890 1.00 0.00 N ATOM 1213 CA PHE A 82 14.590 1.138 -3.489 1.00 0.00 C ATOM 1214 C PHE A 82 15.165 2.057 -2.415 1.00 0.00 C ATOM 1215 O PHE A 82 16.376 2.263 -2.342 1.00 0.00 O ATOM 1216 CB PHE A 82 13.735 1.949 -4.465 1.00 0.00 C ATOM 1217 CG PHE A 82 13.013 1.103 -5.475 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.714 0.430 -6.463 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.634 0.980 -5.436 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.052 -0.348 -7.393 1.00 0.00 C ATOM 1221 CE2 PHE A 82 10.966 0.203 -6.364 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.677 -0.463 -7.343 1.00 0.00 C ATOM 0 H PHE A 82 12.812 0.298 -2.760 1.00 0.00 H new ATOM 0 HA PHE A 82 15.417 0.682 -4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.005 2.529 -3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.372 2.661 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.790 0.515 -6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.074 1.497 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.610 -0.866 -8.159 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.890 0.117 -6.324 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.158 -1.073 -8.068 1.00 0.00 H new ATOM 1232 N PHE A 83 14.286 2.607 -1.583 1.00 0.00 N ATOM 1233 CA PHE A 83 14.705 3.505 -0.513 1.00 0.00 C ATOM 1234 C PHE A 83 15.738 2.834 0.387 1.00 0.00 C ATOM 1235 O PHE A 83 16.861 3.317 0.528 1.00 0.00 O ATOM 1236 CB PHE A 83 13.496 3.943 0.316 1.00 0.00 C ATOM 1237 CG PHE A 83 12.782 5.137 -0.249 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.988 5.016 -1.378 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.904 6.381 0.349 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.329 6.113 -1.900 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.247 7.481 -0.169 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.459 7.347 -1.295 1.00 0.00 C ATOM 0 H PHE A 83 13.280 2.447 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 83 15.162 4.384 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.795 3.111 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.825 4.172 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.883 4.053 -1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.519 6.492 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.713 6.005 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.350 8.445 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.945 8.206 -1.701 1.00 0.00 H new ATOM 1252 N ALA A 84 15.349 1.718 0.994 1.00 0.00 N ATOM 1253 CA ALA A 84 16.241 0.979 1.880 1.00 0.00 C ATOM 1254 C ALA A 84 17.146 0.041 1.089 1.00 0.00 C ATOM 1255 O ALA A 84 16.818 -1.127 0.884 1.00 0.00 O ATOM 1256 CB ALA A 84 15.436 0.198 2.907 1.00 0.00 C ATOM 0 H ALA A 84 14.422 1.305 0.889 1.00 0.00 H new ATOM 0 HA ALA A 84 16.873 1.698 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.114 -0.349 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.836 0.888 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.779 -0.506 2.396 1.00 0.00 H new