USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 429 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 50 SER OG : rot 34:sc= 0.0199 USER MOD Set 1.2: A 60 HIS : no HE2:sc= 1.55 K(o=3.1,f=-5.1!) USER MOD Set 1.3: A 64 LYS NZ :NH3+ -128:sc= 1.5 (180deg=-1.08) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -177:sc= 1.83 (180deg=0.77) USER MOD Set 2.2: A 43 ASN : amide:sc= 1.29 K(o=3.1,f=-5.4!) USER MOD Set 3.1: A 14 ASN : amide:sc= 1.35 K(o=1.7,f=0) USER MOD Set 3.2: A 22 TYR OH : rot 30:sc= 0.303 USER MOD Single : A 11 MET CE :methyl -168:sc= -0.297 (180deg=-0.875) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.356 K(o=-0.36,f=-0.93) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 171:sc= 0 (180deg=-0.136) USER MOD Single : A 39 SER OG : rot 13:sc= 0.208 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.276 F(o=-3.4!,f=-0.28) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.052) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N ALA A 9 -1.809 6.976 -2.503 1.00 0.00 N ATOM 122 CA ALA A 9 -0.491 7.015 -1.881 1.00 0.00 C ATOM 123 C ALA A 9 0.626 7.397 -2.857 1.00 0.00 C ATOM 124 O ALA A 9 1.369 8.338 -2.590 1.00 0.00 O ATOM 125 CB ALA A 9 -0.181 5.687 -1.196 1.00 0.00 C ATOM 0 HA ALA A 9 -0.526 7.805 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.807 5.736 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.928 5.491 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.200 4.884 -1.933 1.00 0.00 H new ATOM 131 N LEU A 10 0.807 6.657 -3.958 1.00 0.00 N ATOM 132 CA LEU A 10 2.011 6.814 -4.762 1.00 0.00 C ATOM 133 C LEU A 10 2.046 8.197 -5.367 1.00 0.00 C ATOM 134 O LEU A 10 3.091 8.829 -5.307 1.00 0.00 O ATOM 135 CB LEU A 10 2.178 5.711 -5.804 1.00 0.00 C ATOM 136 CG LEU A 10 2.749 4.387 -5.253 1.00 0.00 C ATOM 137 CD1 LEU A 10 4.246 4.489 -4.943 1.00 0.00 C ATOM 138 CD2 LEU A 10 2.077 3.838 -3.996 1.00 0.00 C ATOM 0 H LEU A 10 0.147 5.960 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 10 2.873 6.708 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.209 5.511 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.835 6.073 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 10 2.544 3.696 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.604 3.534 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.790 4.740 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.411 5.266 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.561 2.907 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.167 4.565 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.023 3.650 -4.199 1.00 0.00 H new ATOM 150 N MET A 11 0.926 8.703 -5.880 1.00 0.00 N ATOM 151 CA MET A 11 0.855 10.122 -6.203 1.00 0.00 C ATOM 152 C MET A 11 1.173 11.048 -5.023 1.00 0.00 C ATOM 153 O MET A 11 2.036 11.897 -5.205 1.00 0.00 O ATOM 154 CB MET A 11 -0.387 10.492 -7.012 1.00 0.00 C ATOM 155 CG MET A 11 -1.727 10.599 -6.271 1.00 0.00 C ATOM 156 SD MET A 11 -2.466 12.259 -6.161 1.00 0.00 S ATOM 157 CE MET A 11 -1.613 12.965 -4.722 1.00 0.00 C ATOM 0 H MET A 11 0.080 8.168 -6.076 1.00 0.00 H new ATOM 0 HA MET A 11 1.681 10.312 -6.888 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.196 11.450 -7.496 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.502 9.752 -7.804 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.442 9.939 -6.763 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.588 10.220 -5.259 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.115 13.883 -4.416 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.633 12.249 -3.900 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.579 13.187 -4.985 1.00 0.00 H new ATOM 167 N GLN A 12 0.598 10.870 -3.818 1.00 0.00 N ATOM 168 CA GLN A 12 0.943 11.688 -2.634 1.00 0.00 C ATOM 169 C GLN A 12 2.460 11.857 -2.478 1.00 0.00 C ATOM 170 O GLN A 12 2.978 12.976 -2.504 1.00 0.00 O ATOM 171 CB GLN A 12 0.258 11.145 -1.364 1.00 0.00 C ATOM 172 CG GLN A 12 1.072 11.259 -0.063 1.00 0.00 C ATOM 173 CD GLN A 12 0.245 10.833 1.130 1.00 0.00 C ATOM 174 OE1 GLN A 12 -0.494 11.598 1.736 1.00 0.00 O ATOM 175 NE2 GLN A 12 0.329 9.578 1.496 1.00 0.00 N ATOM 0 H GLN A 12 -0.113 10.162 -3.636 1.00 0.00 H new ATOM 0 HA GLN A 12 0.550 12.692 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.685 11.675 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.013 10.095 -1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.965 10.638 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.409 12.287 0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.944 8.940 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.221 9.239 2.285 1.00 0.00 H new ATOM 184 N LEU A 13 3.189 10.753 -2.316 1.00 0.00 N ATOM 185 CA LEU A 13 4.613 10.855 -2.040 1.00 0.00 C ATOM 186 C LEU A 13 5.524 11.028 -3.245 1.00 0.00 C ATOM 187 O LEU A 13 6.544 11.683 -3.094 1.00 0.00 O ATOM 188 CB LEU A 13 5.111 9.825 -1.043 1.00 0.00 C ATOM 189 CG LEU A 13 4.859 8.332 -1.160 1.00 0.00 C ATOM 190 CD1 LEU A 13 3.549 8.011 -0.453 1.00 0.00 C ATOM 191 CD2 LEU A 13 4.812 7.840 -2.590 1.00 0.00 C ATOM 0 H LEU A 13 2.824 9.802 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 13 4.692 11.823 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.193 9.947 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.714 10.125 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 13 5.697 7.815 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.349 6.942 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.623 8.296 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.736 8.565 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.629 6.766 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.010 8.350 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.764 8.050 -3.078 1.00 0.00 H new ATOM 203 N ASN A 14 5.201 10.503 -4.426 1.00 0.00 N ATOM 204 CA ASN A 14 5.925 10.876 -5.641 1.00 0.00 C ATOM 205 C ASN A 14 5.784 12.369 -5.965 1.00 0.00 C ATOM 206 O ASN A 14 6.700 12.953 -6.530 1.00 0.00 O ATOM 207 CB ASN A 14 5.544 9.960 -6.813 1.00 0.00 C ATOM 208 CG ASN A 14 6.212 8.604 -6.641 1.00 0.00 C ATOM 209 OD1 ASN A 14 7.334 8.374 -7.072 1.00 0.00 O ATOM 210 ND2 ASN A 14 5.569 7.682 -5.970 1.00 0.00 N ATOM 0 H ASN A 14 4.452 9.826 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 14 6.988 10.721 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.461 9.840 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.853 10.412 -7.756 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.003 6.774 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.634 7.872 -5.610 1.00 0.00 H new ATOM 217 N GLU A 15 4.678 13.019 -5.597 1.00 0.00 N ATOM 218 CA GLU A 15 4.626 14.491 -5.573 1.00 0.00 C ATOM 219 C GLU A 15 5.586 15.078 -4.534 1.00 0.00 C ATOM 220 O GLU A 15 6.429 15.913 -4.871 1.00 0.00 O ATOM 221 CB GLU A 15 3.223 15.015 -5.258 1.00 0.00 C ATOM 222 CG GLU A 15 2.151 14.641 -6.269 1.00 0.00 C ATOM 223 CD GLU A 15 1.749 15.800 -7.187 1.00 0.00 C ATOM 224 OE1 GLU A 15 2.483 16.104 -8.156 1.00 0.00 O ATOM 225 OE2 GLU A 15 0.641 16.361 -7.033 1.00 0.00 O ATOM 0 H GLU A 15 3.812 12.560 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 15 4.920 14.807 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.924 14.640 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.266 16.102 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.511 13.812 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.268 14.286 -5.737 1.00 0.00 H new ATOM 232 N ILE A 16 5.420 14.689 -3.259 1.00 0.00 N ATOM 233 CA ILE A 16 6.220 15.230 -2.145 1.00 0.00 C ATOM 234 C ILE A 16 7.745 15.063 -2.352 1.00 0.00 C ATOM 235 O ILE A 16 8.532 15.975 -2.086 1.00 0.00 O ATOM 236 CB ILE A 16 5.721 14.697 -0.783 1.00 0.00 C ATOM 237 CG1 ILE A 16 4.268 15.136 -0.478 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.619 15.211 0.359 1.00 0.00 C ATOM 239 CD1 ILE A 16 3.588 14.280 0.602 1.00 0.00 C ATOM 0 H ILE A 16 4.731 13.994 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 16 6.063 16.309 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 16 5.758 13.610 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.270 16.178 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.681 15.086 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.253 14.826 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.642 14.870 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.598 16.301 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.573 14.641 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.555 13.241 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.153 14.350 1.531 1.00 0.00 H new ATOM 251 N LYS A 17 8.139 13.893 -2.865 1.00 0.00 N ATOM 252 CA LYS A 17 9.491 13.395 -3.153 1.00 0.00 C ATOM 253 C LYS A 17 9.462 12.557 -4.451 1.00 0.00 C ATOM 254 O LYS A 17 9.286 11.342 -4.389 1.00 0.00 O ATOM 255 CB LYS A 17 10.001 12.521 -1.982 1.00 0.00 C ATOM 256 CG LYS A 17 10.384 13.246 -0.688 1.00 0.00 C ATOM 257 CD LYS A 17 11.490 14.291 -0.878 1.00 0.00 C ATOM 258 CE LYS A 17 12.122 14.650 0.473 1.00 0.00 C ATOM 259 NZ LYS A 17 13.285 13.781 0.782 1.00 0.00 N ATOM 0 H LYS A 17 7.441 13.193 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 17 10.164 14.243 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.229 11.789 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.872 11.965 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.500 13.735 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.711 12.511 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.253 13.904 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.078 15.186 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.440 15.693 0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.376 14.553 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.655 14.018 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.987 12.785 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.029 13.930 0.070 1.00 0.00 H new ATOM 273 N PRO A 18 9.648 13.149 -5.643 1.00 0.00 N ATOM 274 CA PRO A 18 9.785 12.421 -6.914 1.00 0.00 C ATOM 275 C PRO A 18 11.173 11.762 -7.056 1.00 0.00 C ATOM 276 O PRO A 18 11.919 11.996 -8.010 1.00 0.00 O ATOM 277 CB PRO A 18 9.495 13.470 -7.987 1.00 0.00 C ATOM 278 CG PRO A 18 9.988 14.774 -7.358 1.00 0.00 C ATOM 279 CD PRO A 18 9.686 14.583 -5.869 1.00 0.00 C ATOM 0 HA PRO A 18 9.097 11.579 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.021 13.249 -8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.432 13.517 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.052 14.929 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.467 15.640 -7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.452 15.054 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.735 15.044 -5.603 1.00 0.00 H new ATOM 287 N GLY A 19 11.556 10.976 -6.051 1.00 0.00 N ATOM 288 CA GLY A 19 12.903 10.443 -5.873 1.00 0.00 C ATOM 289 C GLY A 19 12.963 9.409 -4.750 1.00 0.00 C ATOM 290 O GLY A 19 13.718 9.573 -3.789 1.00 0.00 O ATOM 0 H GLY A 19 10.914 10.684 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.239 9.987 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.590 11.260 -5.652 1.00 0.00 H new ATOM 294 N LEU A 20 12.113 8.381 -4.843 1.00 0.00 N ATOM 295 CA LEU A 20 11.987 7.302 -3.853 1.00 0.00 C ATOM 296 C LEU A 20 12.466 5.978 -4.439 1.00 0.00 C ATOM 297 O LEU A 20 12.346 5.734 -5.642 1.00 0.00 O ATOM 298 CB LEU A 20 10.536 7.165 -3.368 1.00 0.00 C ATOM 299 CG LEU A 20 9.922 8.473 -2.848 1.00 0.00 C ATOM 300 CD1 LEU A 20 8.410 8.416 -2.774 1.00 0.00 C ATOM 301 CD2 LEU A 20 10.416 8.799 -1.449 1.00 0.00 C ATOM 0 H LEU A 20 11.475 8.272 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 20 12.614 7.559 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.924 6.790 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.498 6.418 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 20 10.231 9.236 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.028 9.366 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.004 8.227 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.109 7.614 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.962 9.731 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.140 7.993 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.501 8.907 -1.462 1.00 0.00 H new ATOM 313 N GLN A 21 13.030 5.132 -3.577 1.00 0.00 N ATOM 314 CA GLN A 21 13.782 3.953 -4.027 1.00 0.00 C ATOM 315 C GLN A 21 13.326 2.693 -3.276 1.00 0.00 C ATOM 316 O GLN A 21 13.661 2.515 -2.109 1.00 0.00 O ATOM 317 CB GLN A 21 15.286 4.217 -3.850 1.00 0.00 C ATOM 318 CG GLN A 21 15.957 5.201 -4.830 1.00 0.00 C ATOM 319 CD GLN A 21 15.549 6.672 -4.691 1.00 0.00 C ATOM 320 OE1 GLN A 21 15.430 7.399 -5.669 1.00 0.00 O ATOM 321 NE2 GLN A 21 15.322 7.182 -3.498 1.00 0.00 N ATOM 0 H GLN A 21 12.982 5.238 -2.564 1.00 0.00 H new ATOM 0 HA GLN A 21 13.585 3.774 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.445 4.589 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.806 3.262 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.037 5.131 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.735 4.878 -5.847 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.414 6.597 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.054 8.162 -3.405 1.00 0.00 H new ATOM 330 N TYR A 22 12.556 1.832 -3.944 1.00 0.00 N ATOM 331 CA TYR A 22 11.773 0.726 -3.373 1.00 0.00 C ATOM 332 C TYR A 22 12.452 -0.635 -3.642 1.00 0.00 C ATOM 333 O TYR A 22 12.917 -0.899 -4.755 1.00 0.00 O ATOM 334 CB TYR A 22 10.330 0.712 -3.934 1.00 0.00 C ATOM 335 CG TYR A 22 9.625 2.032 -4.245 1.00 0.00 C ATOM 336 CD1 TYR A 22 10.087 2.877 -5.279 1.00 0.00 C ATOM 337 CD2 TYR A 22 8.450 2.385 -3.549 1.00 0.00 C ATOM 338 CE1 TYR A 22 9.441 4.095 -5.553 1.00 0.00 C ATOM 339 CE2 TYR A 22 7.762 3.576 -3.866 1.00 0.00 C ATOM 340 CZ TYR A 22 8.263 4.441 -4.862 1.00 0.00 C ATOM 341 OH TYR A 22 7.607 5.593 -5.168 1.00 0.00 O ATOM 0 H TYR A 22 12.454 1.888 -4.957 1.00 0.00 H new ATOM 0 HA TYR A 22 11.726 0.887 -2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.344 0.126 -4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.708 0.171 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.946 2.584 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.074 1.740 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.848 4.767 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.850 3.826 -3.345 1.00 0.00 H new ATOM 0 HH TYR A 22 7.749 5.809 -6.113 1.00 0.00 H new ATOM 351 N MET A 23 12.512 -1.495 -2.621 1.00 0.00 N ATOM 352 CA MET A 23 13.193 -2.801 -2.624 1.00 0.00 C ATOM 353 C MET A 23 12.302 -3.867 -1.988 1.00 0.00 C ATOM 354 O MET A 23 11.758 -3.611 -0.920 1.00 0.00 O ATOM 355 CB MET A 23 14.500 -2.698 -1.818 1.00 0.00 C ATOM 356 CG MET A 23 15.464 -3.851 -2.116 1.00 0.00 C ATOM 357 SD MET A 23 16.023 -3.986 -3.837 1.00 0.00 S ATOM 358 CE MET A 23 16.923 -5.556 -3.721 1.00 0.00 C ATOM 0 H MET A 23 12.067 -1.294 -1.726 1.00 0.00 H new ATOM 0 HA MET A 23 13.408 -3.081 -3.655 1.00 0.00 H new ATOM 0 HB2 MET A 23 14.990 -1.751 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 23 14.267 -2.689 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 23 16.340 -3.742 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.980 -4.787 -1.836 1.00 0.00 H new ATOM 0 HE1 MET A 23 17.343 -5.807 -4.695 1.00 0.00 H new ATOM 0 HE2 MET A 23 17.728 -5.461 -2.992 1.00 0.00 H new ATOM 0 HE3 MET A 23 16.240 -6.345 -3.406 1.00 0.00 H new ATOM 368 N LEU A 24 12.180 -5.063 -2.572 1.00 0.00 N ATOM 369 CA LEU A 24 11.221 -6.088 -2.137 1.00 0.00 C ATOM 370 C LEU A 24 11.970 -7.180 -1.365 1.00 0.00 C ATOM 371 O LEU A 24 12.879 -7.838 -1.879 1.00 0.00 O ATOM 372 CB LEU A 24 10.453 -6.633 -3.361 1.00 0.00 C ATOM 373 CG LEU A 24 9.180 -7.467 -3.086 1.00 0.00 C ATOM 374 CD1 LEU A 24 9.400 -8.738 -2.264 1.00 0.00 C ATOM 375 CD2 LEU A 24 8.098 -6.638 -2.409 1.00 0.00 C ATOM 0 H LEU A 24 12.749 -5.351 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 24 10.478 -5.664 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.173 -5.786 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.139 -7.247 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 24 8.863 -7.780 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.448 -9.251 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.094 -9.395 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.815 -8.475 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.220 -7.260 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.472 -6.260 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.826 -5.800 -3.051 1.00 0.00 H new ATOM 387 N LEU A 25 11.586 -7.320 -0.099 1.00 0.00 N ATOM 388 CA LEU A 25 12.172 -8.144 0.944 1.00 0.00 C ATOM 389 C LEU A 25 11.098 -9.164 1.377 1.00 0.00 C ATOM 390 O LEU A 25 9.884 -8.905 1.325 1.00 0.00 O ATOM 391 CB LEU A 25 12.716 -7.305 2.106 1.00 0.00 C ATOM 392 CG LEU A 25 13.158 -5.857 1.824 1.00 0.00 C ATOM 393 CD1 LEU A 25 13.726 -5.298 3.115 1.00 0.00 C ATOM 394 CD2 LEU A 25 14.294 -5.713 0.806 1.00 0.00 C ATOM 0 H LEU A 25 10.777 -6.807 0.252 1.00 0.00 H new ATOM 0 HA LEU A 25 13.046 -8.676 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.948 -7.272 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.570 -7.836 2.527 1.00 0.00 H new ATOM 0 HG LEU A 25 12.277 -5.349 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.051 -4.270 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.959 -5.319 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.577 -5.902 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.534 -4.658 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.175 -6.243 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.982 -6.135 -0.149 1.00 0.00 H new ATOM 526 N LEU A 35 2.346 -12.460 2.003 1.00 0.00 N ATOM 527 CA LEU A 35 2.773 -11.182 2.573 1.00 0.00 C ATOM 528 C LEU A 35 4.193 -10.832 2.118 1.00 0.00 C ATOM 529 O LEU A 35 5.139 -11.580 2.348 1.00 0.00 O ATOM 530 CB LEU A 35 2.624 -11.275 4.104 1.00 0.00 C ATOM 531 CG LEU A 35 2.837 -9.993 4.932 1.00 0.00 C ATOM 532 CD1 LEU A 35 4.288 -9.512 4.943 1.00 0.00 C ATOM 533 CD2 LEU A 35 1.949 -8.844 4.453 1.00 0.00 C ATOM 0 HA LEU A 35 2.148 -10.363 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.623 -11.649 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.329 -12.025 4.463 1.00 0.00 H new ATOM 0 HG LEU A 35 2.560 -10.275 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.366 -8.606 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.925 -10.287 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.609 -9.300 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.134 -7.962 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.178 -8.617 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.902 -9.133 4.539 1.00 0.00 H new ATOM 545 N PHE A 36 4.328 -9.648 1.530 1.00 0.00 N ATOM 546 CA PHE A 36 5.526 -9.073 0.929 1.00 0.00 C ATOM 547 C PHE A 36 5.900 -7.801 1.689 1.00 0.00 C ATOM 548 O PHE A 36 4.989 -7.075 2.098 1.00 0.00 O ATOM 549 CB PHE A 36 5.216 -8.683 -0.527 1.00 0.00 C ATOM 550 CG PHE A 36 4.706 -9.757 -1.474 1.00 0.00 C ATOM 551 CD1 PHE A 36 3.434 -10.328 -1.289 1.00 0.00 C ATOM 552 CD2 PHE A 36 5.458 -10.117 -2.607 1.00 0.00 C ATOM 553 CE1 PHE A 36 2.951 -11.294 -2.184 1.00 0.00 C ATOM 554 CE2 PHE A 36 4.958 -11.053 -3.530 1.00 0.00 C ATOM 555 CZ PHE A 36 3.709 -11.656 -3.310 1.00 0.00 C ATOM 0 H PHE A 36 3.534 -9.012 1.455 1.00 0.00 H new ATOM 0 HA PHE A 36 6.340 -9.797 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.477 -7.882 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.125 -8.265 -0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.825 -10.020 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.428 -9.671 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.993 -11.761 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.534 -11.308 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.333 -12.394 -4.003 1.00 0.00 H new ATOM 565 N VAL A 37 7.192 -7.490 1.871 1.00 0.00 N ATOM 566 CA VAL A 37 7.569 -6.181 2.438 1.00 0.00 C ATOM 567 C VAL A 37 8.443 -5.389 1.477 1.00 0.00 C ATOM 568 O VAL A 37 9.379 -5.929 0.900 1.00 0.00 O ATOM 569 CB VAL A 37 8.170 -6.277 3.853 1.00 0.00 C ATOM 570 CG1 VAL A 37 7.316 -7.163 4.770 1.00 0.00 C ATOM 571 CG2 VAL A 37 9.604 -6.776 3.957 1.00 0.00 C ATOM 0 H VAL A 37 7.974 -8.104 1.643 1.00 0.00 H new ATOM 0 HA VAL A 37 6.643 -5.621 2.565 1.00 0.00 H new ATOM 0 HB VAL A 37 8.175 -5.233 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.771 -7.207 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.313 -6.744 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.257 -8.168 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.907 -6.797 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.671 -7.781 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.263 -6.108 3.402 1.00 0.00 H new ATOM 581 N MET A 38 8.151 -4.101 1.300 1.00 0.00 N ATOM 582 CA MET A 38 9.004 -3.184 0.543 1.00 0.00 C ATOM 583 C MET A 38 9.681 -2.200 1.480 1.00 0.00 C ATOM 584 O MET A 38 9.031 -1.645 2.361 1.00 0.00 O ATOM 585 CB MET A 38 8.269 -2.440 -0.587 1.00 0.00 C ATOM 586 CG MET A 38 8.283 -3.216 -1.912 1.00 0.00 C ATOM 587 SD MET A 38 8.846 -2.352 -3.399 1.00 0.00 S ATOM 588 CE MET A 38 7.984 -3.301 -4.689 1.00 0.00 C ATOM 0 H MET A 38 7.312 -3.662 1.679 1.00 0.00 H new ATOM 0 HA MET A 38 9.756 -3.802 0.053 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.237 -2.260 -0.287 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.733 -1.465 -0.736 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.914 -4.094 -1.777 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.271 -3.576 -2.098 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.099 -2.797 -5.649 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.411 -4.302 -4.751 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.925 -3.373 -4.441 1.00 0.00 H new ATOM 598 N SER A 39 10.972 -1.965 1.259 1.00 0.00 N ATOM 599 CA SER A 39 11.739 -0.914 1.921 1.00 0.00 C ATOM 600 C SER A 39 11.923 0.215 0.915 1.00 0.00 C ATOM 601 O SER A 39 12.525 0.006 -0.140 1.00 0.00 O ATOM 602 CB SER A 39 13.074 -1.461 2.450 1.00 0.00 C ATOM 603 OG SER A 39 14.118 -1.568 1.500 1.00 0.00 O ATOM 0 H SER A 39 11.526 -2.512 0.600 1.00 0.00 H new ATOM 0 HA SER A 39 11.211 -0.534 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.412 -0.817 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.896 -2.447 2.878 1.00 0.00 H new ATOM 0 HG SER A 39 13.875 -1.074 0.689 1.00 0.00 H new ATOM 609 N VAL A 40 11.363 1.388 1.208 1.00 0.00 N ATOM 610 CA VAL A 40 11.437 2.557 0.326 1.00 0.00 C ATOM 611 C VAL A 40 12.316 3.623 0.938 1.00 0.00 C ATOM 612 O VAL A 40 12.175 3.971 2.106 1.00 0.00 O ATOM 613 CB VAL A 40 10.057 3.109 -0.040 1.00 0.00 C ATOM 614 CG1 VAL A 40 9.367 3.898 1.061 1.00 0.00 C ATOM 615 CG2 VAL A 40 10.167 4.048 -1.243 1.00 0.00 C ATOM 0 H VAL A 40 10.842 1.557 2.068 1.00 0.00 H new ATOM 0 HA VAL A 40 11.889 2.229 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 40 9.459 2.221 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.397 4.247 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.226 3.259 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.983 4.755 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.179 4.435 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.830 4.878 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.570 3.501 -2.095 1.00 0.00 H new ATOM 625 N GLU A 41 13.220 4.167 0.146 1.00 0.00 N ATOM 626 CA GLU A 41 14.265 5.059 0.621 1.00 0.00 C ATOM 627 C GLU A 41 13.867 6.473 0.219 1.00 0.00 C ATOM 628 O GLU A 41 13.575 6.718 -0.960 1.00 0.00 O ATOM 629 CB GLU A 41 15.625 4.602 0.077 1.00 0.00 C ATOM 630 CG GLU A 41 16.830 4.992 0.928 1.00 0.00 C ATOM 631 CD GLU A 41 17.145 6.475 0.803 1.00 0.00 C ATOM 632 OE1 GLU A 41 16.532 7.235 1.581 1.00 0.00 O ATOM 633 OE2 GLU A 41 17.989 6.876 -0.031 1.00 0.00 O ATOM 0 H GLU A 41 13.251 4.001 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 41 14.373 5.039 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.610 3.517 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.757 5.017 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.634 4.748 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.698 4.408 0.621 1.00 0.00 H new ATOM 640 N VAL A 42 13.787 7.337 1.242 1.00 0.00 N ATOM 641 CA VAL A 42 13.116 8.665 1.182 1.00 0.00 C ATOM 642 C VAL A 42 14.045 9.889 1.318 1.00 0.00 C ATOM 643 O VAL A 42 13.648 10.994 0.944 1.00 0.00 O ATOM 644 CB VAL A 42 11.929 8.713 2.179 1.00 0.00 C ATOM 645 CG1 VAL A 42 12.396 8.772 3.625 1.00 0.00 C ATOM 646 CG2 VAL A 42 10.958 9.888 2.013 1.00 0.00 C ATOM 0 H VAL A 42 14.192 7.138 2.157 1.00 0.00 H new ATOM 0 HA VAL A 42 12.737 8.754 0.164 1.00 0.00 H new ATOM 0 HB VAL A 42 11.404 7.788 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.530 8.804 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.992 7.888 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.001 9.666 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.170 9.818 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.497 10.827 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.515 9.856 1.018 1.00 0.00 H new ATOM 656 N ASN A 43 15.263 9.743 1.861 1.00 0.00 N ATOM 657 CA ASN A 43 16.139 10.876 2.249 1.00 0.00 C ATOM 658 C ASN A 43 17.605 10.506 2.620 1.00 0.00 C ATOM 659 O ASN A 43 18.419 11.381 2.918 1.00 0.00 O ATOM 660 CB ASN A 43 15.491 11.579 3.469 1.00 0.00 C ATOM 661 CG ASN A 43 15.680 13.081 3.454 1.00 0.00 C ATOM 662 OD1 ASN A 43 14.773 13.848 3.162 1.00 0.00 O ATOM 663 ND2 ASN A 43 16.866 13.544 3.743 1.00 0.00 N ATOM 0 H ASN A 43 15.678 8.830 2.048 1.00 0.00 H new ATOM 0 HA ASN A 43 16.216 11.510 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.425 11.352 3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.920 11.173 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.039 14.549 3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.619 12.901 3.986 1.00 0.00 H new ATOM 670 N GLY A 44 17.916 9.219 2.708 1.00 0.00 N ATOM 671 CA GLY A 44 19.106 8.629 3.329 1.00 0.00 C ATOM 672 C GLY A 44 18.842 7.364 4.164 1.00 0.00 C ATOM 673 O GLY A 44 19.749 6.855 4.824 1.00 0.00 O ATOM 0 H GLY A 44 17.301 8.504 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 44 19.824 8.386 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 44 19.573 9.378 3.969 1.00 0.00 H new ATOM 677 N GLN A 45 17.586 6.915 4.213 1.00 0.00 N ATOM 678 CA GLN A 45 17.040 5.878 5.082 1.00 0.00 C ATOM 679 C GLN A 45 15.851 5.208 4.383 1.00 0.00 C ATOM 680 O GLN A 45 15.037 5.893 3.739 1.00 0.00 O ATOM 681 CB GLN A 45 16.669 6.437 6.477 1.00 0.00 C ATOM 682 CG GLN A 45 15.335 7.156 6.637 1.00 0.00 C ATOM 683 CD GLN A 45 15.370 8.545 6.025 1.00 0.00 C ATOM 684 OE1 GLN A 45 15.240 8.621 4.725 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 15.516 9.566 6.682 1.00 0.00 N flip ATOM 0 H GLN A 45 16.870 7.300 3.596 1.00 0.00 H new ATOM 0 HA GLN A 45 17.804 5.121 5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 45 16.686 5.607 7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 45 17.457 7.127 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.547 6.570 6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 45 15.086 7.231 7.696 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.618 9.510 7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.536 10.473 6.217 1.00 0.00 H new ATOM 694 N VAL A 46 15.743 3.890 4.545 1.00 0.00 N ATOM 695 CA VAL A 46 14.660 3.075 3.986 1.00 0.00 C ATOM 696 C VAL A 46 13.623 2.735 5.064 1.00 0.00 C ATOM 697 O VAL A 46 13.937 2.374 6.199 1.00 0.00 O ATOM 698 CB VAL A 46 15.142 1.770 3.335 1.00 0.00 C ATOM 699 CG1 VAL A 46 15.628 1.824 1.900 1.00 0.00 C ATOM 700 CG2 VAL A 46 16.226 1.042 4.147 1.00 0.00 C ATOM 0 H VAL A 46 16.420 3.345 5.080 1.00 0.00 H new ATOM 0 HA VAL A 46 14.213 3.687 3.202 1.00 0.00 H new ATOM 0 HB VAL A 46 14.199 1.224 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 46 15.934 0.827 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.823 2.179 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 46 16.477 2.504 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.518 0.129 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.095 1.691 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 46 15.834 0.789 5.132 1.00 0.00 H new ATOM 710 N PHE A 47 12.366 2.879 4.666 1.00 0.00 N ATOM 711 CA PHE A 47 11.140 2.736 5.439 1.00 0.00 C ATOM 712 C PHE A 47 10.395 1.484 4.961 1.00 0.00 C ATOM 713 O PHE A 47 10.110 1.366 3.771 1.00 0.00 O ATOM 714 CB PHE A 47 10.309 3.998 5.151 1.00 0.00 C ATOM 715 CG PHE A 47 10.629 5.192 6.026 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.734 6.023 5.743 1.00 0.00 C ATOM 717 CD2 PHE A 47 9.776 5.506 7.100 1.00 0.00 C ATOM 718 CE1 PHE A 47 11.930 7.198 6.493 1.00 0.00 C ATOM 719 CE2 PHE A 47 9.996 6.664 7.863 1.00 0.00 C ATOM 720 CZ PHE A 47 11.064 7.520 7.551 1.00 0.00 C ATOM 0 H PHE A 47 12.160 3.123 3.697 1.00 0.00 H new ATOM 0 HA PHE A 47 11.331 2.630 6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.456 4.281 4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.253 3.754 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.425 5.759 4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.949 4.854 7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.752 7.856 6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.343 6.896 8.691 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.219 8.423 8.123 1.00 0.00 H new ATOM 730 N GLU A 48 10.066 0.549 5.855 1.00 0.00 N ATOM 731 CA GLU A 48 9.530 -0.772 5.476 1.00 0.00 C ATOM 732 C GLU A 48 8.018 -0.894 5.717 1.00 0.00 C ATOM 733 O GLU A 48 7.527 -0.653 6.821 1.00 0.00 O ATOM 734 CB GLU A 48 10.269 -1.899 6.222 1.00 0.00 C ATOM 735 CG GLU A 48 11.477 -2.437 5.448 1.00 0.00 C ATOM 736 CD GLU A 48 12.188 -3.541 6.257 1.00 0.00 C ATOM 737 OE1 GLU A 48 11.641 -4.665 6.367 1.00 0.00 O ATOM 738 OE2 GLU A 48 13.291 -3.288 6.797 1.00 0.00 O ATOM 0 H GLU A 48 10.161 0.680 6.862 1.00 0.00 H new ATOM 0 HA GLU A 48 9.699 -0.873 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.601 -1.528 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.574 -2.717 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.153 -2.834 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.174 -1.625 5.239 1.00 0.00 H new ATOM 745 N GLY A 49 7.273 -1.311 4.688 1.00 0.00 N ATOM 746 CA GLY A 49 5.823 -1.495 4.695 1.00 0.00 C ATOM 747 C GLY A 49 5.406 -2.816 4.051 1.00 0.00 C ATOM 748 O GLY A 49 5.951 -3.229 3.028 1.00 0.00 O ATOM 0 H GLY A 49 7.688 -1.540 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.459 -1.463 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.351 -0.669 4.164 1.00 0.00 H new ATOM 752 N SER A 50 4.464 -3.499 4.695 1.00 0.00 N ATOM 753 CA SER A 50 4.004 -4.853 4.382 1.00 0.00 C ATOM 754 C SER A 50 2.633 -4.859 3.685 1.00 0.00 C ATOM 755 O SER A 50 1.698 -4.188 4.128 1.00 0.00 O ATOM 756 CB SER A 50 3.945 -5.641 5.699 1.00 0.00 C ATOM 757 OG SER A 50 3.182 -4.951 6.683 1.00 0.00 O ATOM 0 H SER A 50 3.972 -3.102 5.495 1.00 0.00 H new ATOM 0 HA SER A 50 4.701 -5.315 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.506 -6.622 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.956 -5.807 6.071 1.00 0.00 H new ATOM 0 HG SER A 50 2.450 -4.466 6.248 1.00 0.00 H new ATOM 763 N GLY A 51 2.511 -5.587 2.569 1.00 0.00 N ATOM 764 CA GLY A 51 1.268 -5.773 1.812 1.00 0.00 C ATOM 765 C GLY A 51 1.050 -7.230 1.385 1.00 0.00 C ATOM 766 O GLY A 51 2.029 -7.924 1.099 1.00 0.00 O ATOM 0 H GLY A 51 3.302 -6.080 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.424 -5.446 2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.288 -5.138 0.926 1.00 0.00 H new ATOM 770 N PRO A 52 -0.203 -7.720 1.290 1.00 0.00 N ATOM 771 CA PRO A 52 -0.503 -9.071 0.789 1.00 0.00 C ATOM 772 C PRO A 52 -0.153 -9.287 -0.703 1.00 0.00 C ATOM 773 O PRO A 52 -0.305 -10.384 -1.241 1.00 0.00 O ATOM 774 CB PRO A 52 -1.991 -9.287 1.085 1.00 0.00 C ATOM 775 CG PRO A 52 -2.564 -7.874 1.022 1.00 0.00 C ATOM 776 CD PRO A 52 -1.440 -7.015 1.602 1.00 0.00 C ATOM 0 HA PRO A 52 0.124 -9.810 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.457 -9.944 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.146 -9.742 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.807 -7.583 -0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.481 -7.785 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.443 -6.017 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.558 -6.890 2.678 1.00 0.00 H new ATOM 784 N THR A 53 0.352 -8.241 -1.358 1.00 0.00 N ATOM 785 CA THR A 53 1.027 -8.227 -2.661 1.00 0.00 C ATOM 786 C THR A 53 2.125 -7.160 -2.609 1.00 0.00 C ATOM 787 O THR A 53 1.975 -6.142 -1.923 1.00 0.00 O ATOM 788 CB THR A 53 0.036 -7.942 -3.805 1.00 0.00 C ATOM 789 OG1 THR A 53 0.730 -7.826 -5.031 1.00 0.00 O ATOM 790 CG2 THR A 53 -0.741 -6.638 -3.629 1.00 0.00 C ATOM 0 H THR A 53 0.296 -7.304 -0.960 1.00 0.00 H new ATOM 0 HA THR A 53 1.461 -9.206 -2.862 1.00 0.00 H new ATOM 0 HB THR A 53 -0.662 -8.779 -3.795 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.092 -7.647 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.419 -6.502 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.315 -6.679 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.043 -5.802 -3.587 1.00 0.00 H new ATOM 798 N LYS A 54 3.214 -7.349 -3.361 1.00 0.00 N ATOM 799 CA LYS A 54 4.324 -6.385 -3.493 1.00 0.00 C ATOM 800 C LYS A 54 3.875 -4.962 -3.856 1.00 0.00 C ATOM 801 O LYS A 54 4.438 -3.989 -3.357 1.00 0.00 O ATOM 802 CB LYS A 54 5.349 -6.946 -4.498 1.00 0.00 C ATOM 803 CG LYS A 54 4.822 -7.165 -5.932 1.00 0.00 C ATOM 804 CD LYS A 54 5.545 -8.302 -6.673 1.00 0.00 C ATOM 805 CE LYS A 54 7.070 -8.137 -6.695 1.00 0.00 C ATOM 806 NZ LYS A 54 7.725 -9.197 -7.509 1.00 0.00 N ATOM 0 H LYS A 54 3.357 -8.196 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 54 4.789 -6.274 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.199 -6.265 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.722 -7.897 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.756 -7.387 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.934 -6.241 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.296 -9.252 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.177 -8.351 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.325 -7.157 -7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.455 -8.171 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.755 -9.054 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.502 -10.130 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.376 -9.149 -8.488 1.00 0.00 H new ATOM 820 N LYS A 55 2.811 -4.847 -4.658 1.00 0.00 N ATOM 821 CA LYS A 55 2.186 -3.581 -5.091 1.00 0.00 C ATOM 822 C LYS A 55 1.470 -2.821 -3.965 1.00 0.00 C ATOM 823 O LYS A 55 1.401 -1.596 -4.014 1.00 0.00 O ATOM 824 CB LYS A 55 1.230 -3.879 -6.257 1.00 0.00 C ATOM 825 CG LYS A 55 2.016 -4.298 -7.515 1.00 0.00 C ATOM 826 CD LYS A 55 1.107 -4.758 -8.663 1.00 0.00 C ATOM 827 CE LYS A 55 0.374 -6.069 -8.338 1.00 0.00 C ATOM 828 NZ LYS A 55 -0.466 -6.520 -9.479 1.00 0.00 N ATOM 0 H LYS A 55 2.338 -5.665 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 55 2.985 -2.913 -5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.539 -4.673 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.629 -2.996 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.624 -3.459 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.702 -5.104 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.375 -3.979 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.704 -4.892 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.101 -6.843 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.252 -5.928 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.947 -7.407 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.175 -5.791 -9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.136 -6.677 -10.312 1.00 0.00 H new ATOM 842 N LYS A 56 1.004 -3.514 -2.917 1.00 0.00 N ATOM 843 CA LYS A 56 0.504 -2.898 -1.673 1.00 0.00 C ATOM 844 C LYS A 56 1.613 -2.695 -0.641 1.00 0.00 C ATOM 845 O LYS A 56 1.559 -1.728 0.111 1.00 0.00 O ATOM 846 CB LYS A 56 -0.659 -3.707 -1.075 1.00 0.00 C ATOM 847 CG LYS A 56 -1.934 -3.544 -1.920 1.00 0.00 C ATOM 848 CD LYS A 56 -3.182 -4.151 -1.260 1.00 0.00 C ATOM 849 CE LYS A 56 -3.608 -3.363 -0.009 1.00 0.00 C ATOM 850 NZ LYS A 56 -4.899 -3.855 0.541 1.00 0.00 N ATOM 0 H LYS A 56 0.962 -4.533 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 56 0.129 -1.911 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.385 -4.761 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.850 -3.376 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.107 -2.483 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.780 -4.014 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.002 -4.165 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.981 -5.187 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.833 -3.445 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.699 -2.306 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.152 -3.299 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.644 -3.753 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.805 -4.857 0.803 1.00 0.00 H new ATOM 864 N ALA A 57 2.646 -3.541 -0.635 1.00 0.00 N ATOM 865 CA ALA A 57 3.819 -3.369 0.222 1.00 0.00 C ATOM 866 C ALA A 57 4.523 -2.025 -0.045 1.00 0.00 C ATOM 867 O ALA A 57 4.715 -1.228 0.874 1.00 0.00 O ATOM 868 CB ALA A 57 4.744 -4.575 0.018 1.00 0.00 C ATOM 0 H ALA A 57 2.691 -4.369 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 57 3.516 -3.332 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.627 -4.467 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.215 -5.489 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.049 -4.627 -1.027 1.00 0.00 H new ATOM 874 N LYS A 58 4.842 -1.726 -1.313 1.00 0.00 N ATOM 875 CA LYS A 58 5.323 -0.393 -1.739 1.00 0.00 C ATOM 876 C LYS A 58 4.406 0.779 -1.387 1.00 0.00 C ATOM 877 O LYS A 58 4.911 1.790 -0.905 1.00 0.00 O ATOM 878 CB LYS A 58 5.735 -0.377 -3.215 1.00 0.00 C ATOM 879 CG LYS A 58 4.677 -0.891 -4.199 1.00 0.00 C ATOM 880 CD LYS A 58 4.101 0.186 -5.130 1.00 0.00 C ATOM 881 CE LYS A 58 5.177 0.739 -6.073 1.00 0.00 C ATOM 882 NZ LYS A 58 4.603 1.643 -7.108 1.00 0.00 N ATOM 0 H LYS A 58 4.775 -2.399 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 58 6.214 -0.225 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.997 0.645 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.636 -0.979 -3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.117 -1.682 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.860 -1.340 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.283 -0.235 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.683 0.998 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.924 1.281 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.692 -0.089 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.060 1.457 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.580 1.472 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.767 2.633 -6.834 1.00 0.00 H new ATOM 896 N LEU A 59 3.085 0.642 -1.565 1.00 0.00 N ATOM 897 CA LEU A 59 2.111 1.628 -1.070 1.00 0.00 C ATOM 898 C LEU A 59 2.300 1.863 0.428 1.00 0.00 C ATOM 899 O LEU A 59 2.494 3.004 0.825 1.00 0.00 O ATOM 900 CB LEU A 59 0.670 1.228 -1.468 1.00 0.00 C ATOM 901 CG LEU A 59 -0.475 1.734 -0.545 1.00 0.00 C ATOM 902 CD1 LEU A 59 -1.660 2.258 -1.356 1.00 0.00 C ATOM 903 CD2 LEU A 59 -1.025 0.605 0.333 1.00 0.00 C ATOM 0 H LEU A 59 2.663 -0.148 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 59 2.292 2.590 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.481 1.595 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.618 0.140 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.037 2.526 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.441 2.603 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.333 3.086 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.053 1.459 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.824 0.992 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.418 -0.190 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.226 0.209 0.959 1.00 0.00 H new ATOM 915 N HIS A 60 2.297 0.811 1.244 1.00 0.00 N ATOM 916 CA HIS A 60 2.468 0.912 2.695 1.00 0.00 C ATOM 917 C HIS A 60 3.759 1.649 3.070 1.00 0.00 C ATOM 918 O HIS A 60 3.746 2.599 3.857 1.00 0.00 O ATOM 919 CB HIS A 60 2.456 -0.502 3.292 1.00 0.00 C ATOM 920 CG HIS A 60 2.254 -0.575 4.790 1.00 0.00 C ATOM 921 ND1 HIS A 60 2.136 -1.732 5.525 1.00 0.00 N ATOM 922 CD2 HIS A 60 2.206 0.463 5.684 1.00 0.00 C ATOM 923 CE1 HIS A 60 2.072 -1.411 6.826 1.00 0.00 C ATOM 924 NE2 HIS A 60 2.141 -0.075 6.977 1.00 0.00 N ATOM 0 H HIS A 60 2.175 -0.147 0.915 1.00 0.00 H new ATOM 0 HA HIS A 60 1.645 1.497 3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 60 1.665 -1.075 2.808 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.399 -0.989 3.046 1.00 0.00 H new ATOM 0 HD1 HIS A 60 2.103 -2.677 5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 60 2.216 1.514 5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.979 -2.121 7.634 1.00 0.00 H new ATOM 932 N ALA A 61 4.873 1.197 2.490 1.00 0.00 N ATOM 933 CA ALA A 61 6.208 1.722 2.724 1.00 0.00 C ATOM 934 C ALA A 61 6.255 3.231 2.456 1.00 0.00 C ATOM 935 O ALA A 61 6.520 4.011 3.364 1.00 0.00 O ATOM 936 CB ALA A 61 7.172 0.929 1.832 1.00 0.00 C ATOM 0 H ALA A 61 4.863 0.427 1.821 1.00 0.00 H new ATOM 0 HA ALA A 61 6.503 1.601 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.188 1.295 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.125 -0.128 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.889 1.056 0.787 1.00 0.00 H new ATOM 942 N ALA A 62 5.964 3.629 1.217 1.00 0.00 N ATOM 943 CA ALA A 62 5.918 5.014 0.748 1.00 0.00 C ATOM 944 C ALA A 62 4.920 5.879 1.525 1.00 0.00 C ATOM 945 O ALA A 62 5.282 6.963 1.986 1.00 0.00 O ATOM 946 CB ALA A 62 5.693 4.938 -0.766 1.00 0.00 C ATOM 0 H ALA A 62 5.743 2.962 0.478 1.00 0.00 H new ATOM 0 HA ALA A 62 6.852 5.540 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.649 5.946 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.515 4.392 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.755 4.422 -0.969 1.00 0.00 H new ATOM 952 N GLU A 63 3.688 5.392 1.709 1.00 0.00 N ATOM 953 CA GLU A 63 2.629 6.090 2.441 1.00 0.00 C ATOM 954 C GLU A 63 3.092 6.467 3.844 1.00 0.00 C ATOM 955 O GLU A 63 3.196 7.660 4.139 1.00 0.00 O ATOM 956 CB GLU A 63 1.339 5.254 2.439 1.00 0.00 C ATOM 957 CG GLU A 63 0.140 5.970 3.071 1.00 0.00 C ATOM 958 CD GLU A 63 0.052 5.764 4.593 1.00 0.00 C ATOM 959 OE1 GLU A 63 -0.034 4.603 5.056 1.00 0.00 O ATOM 960 OE2 GLU A 63 0.066 6.757 5.355 1.00 0.00 O ATOM 0 H GLU A 63 3.395 4.485 1.346 1.00 0.00 H new ATOM 0 HA GLU A 63 2.402 7.027 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.091 4.987 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.519 4.323 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.207 7.037 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.778 5.609 2.607 1.00 0.00 H new ATOM 967 N LYS A 64 3.428 5.483 4.691 1.00 0.00 N ATOM 968 CA LYS A 64 4.031 5.764 5.992 1.00 0.00 C ATOM 969 C LYS A 64 5.320 6.570 5.899 1.00 0.00 C ATOM 970 O LYS A 64 5.554 7.369 6.795 1.00 0.00 O ATOM 971 CB LYS A 64 4.177 4.502 6.850 1.00 0.00 C ATOM 972 CG LYS A 64 5.604 4.261 7.387 1.00 0.00 C ATOM 973 CD LYS A 64 5.686 2.907 8.093 1.00 0.00 C ATOM 974 CE LYS A 64 5.554 1.762 7.084 1.00 0.00 C ATOM 975 NZ LYS A 64 5.163 0.499 7.765 1.00 0.00 N ATOM 0 H LYS A 64 3.291 4.491 4.495 1.00 0.00 H new ATOM 0 HA LYS A 64 3.327 6.412 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.490 4.569 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.873 3.638 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.319 4.294 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.878 5.057 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.635 2.824 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.896 2.833 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.810 2.019 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.500 1.621 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.822 -0.259 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.196 0.636 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.198 0.236 7.481 1.00 0.00 H new ATOM 989 N ALA A 65 6.174 6.342 4.896 1.00 0.00 N ATOM 990 CA ALA A 65 7.451 7.042 4.793 1.00 0.00 C ATOM 991 C ALA A 65 7.200 8.541 4.812 1.00 0.00 C ATOM 992 O ALA A 65 7.680 9.219 5.717 1.00 0.00 O ATOM 993 CB ALA A 65 8.264 6.613 3.564 1.00 0.00 C ATOM 0 H ALA A 65 6.000 5.676 4.144 1.00 0.00 H new ATOM 0 HA ALA A 65 8.062 6.770 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.203 7.165 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.473 5.545 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.694 6.824 2.659 1.00 0.00 H new ATOM 999 N LEU A 66 6.388 9.046 3.877 1.00 0.00 N ATOM 1000 CA LEU A 66 6.000 10.454 3.887 1.00 0.00 C ATOM 1001 C LEU A 66 5.104 10.853 5.075 1.00 0.00 C ATOM 1002 O LEU A 66 5.297 11.939 5.608 1.00 0.00 O ATOM 1003 CB LEU A 66 5.471 10.846 2.504 1.00 0.00 C ATOM 1004 CG LEU A 66 6.584 11.247 1.515 1.00 0.00 C ATOM 1005 CD1 LEU A 66 7.560 12.314 1.979 1.00 0.00 C ATOM 1006 CD2 LEU A 66 7.470 10.075 1.116 1.00 0.00 C ATOM 0 H LEU A 66 5.991 8.503 3.110 1.00 0.00 H new ATOM 0 HA LEU A 66 6.888 11.057 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.909 10.010 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.774 11.677 2.612 1.00 0.00 H new ATOM 0 HG LEU A 66 5.982 11.639 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.291 12.505 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.017 13.233 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.073 11.971 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.235 10.418 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.948 9.661 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.863 9.306 0.639 1.00 0.00 H new ATOM 1018 N ARG A 67 4.191 9.998 5.559 1.00 0.00 N ATOM 1019 CA ARG A 67 3.381 10.246 6.778 1.00 0.00 C ATOM 1020 C ARG A 67 4.261 10.552 8.005 1.00 0.00 C ATOM 1021 O ARG A 67 4.185 11.638 8.584 1.00 0.00 O ATOM 1022 CB ARG A 67 2.487 9.015 7.029 1.00 0.00 C ATOM 1023 CG ARG A 67 1.337 9.237 8.015 1.00 0.00 C ATOM 1024 CD ARG A 67 1.036 7.996 8.875 1.00 0.00 C ATOM 1025 NE ARG A 67 0.709 6.784 8.094 1.00 0.00 N ATOM 1026 CZ ARG A 67 0.538 5.568 8.584 1.00 0.00 C ATOM 1027 NH1 ARG A 67 0.606 5.300 9.855 1.00 0.00 N ATOM 1028 NH2 ARG A 67 0.283 4.564 7.799 1.00 0.00 N ATOM 0 H ARG A 67 3.986 9.103 5.116 1.00 0.00 H new ATOM 0 HA ARG A 67 2.762 11.129 6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.070 8.688 6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.111 8.202 7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.582 10.075 8.668 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.440 9.516 7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.900 7.786 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.203 8.222 9.540 1.00 0.00 H new ATOM 0 HE ARG A 67 0.606 6.896 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.799 6.046 10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.466 4.344 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.213 4.709 6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.153 3.631 8.190 1.00 0.00 H new ATOM 1042 N SER A 68 5.124 9.598 8.354 1.00 0.00 N ATOM 1043 CA SER A 68 6.128 9.634 9.422 1.00 0.00 C ATOM 1044 C SER A 68 7.074 10.828 9.279 1.00 0.00 C ATOM 1045 O SER A 68 7.257 11.608 10.214 1.00 0.00 O ATOM 1046 CB SER A 68 6.916 8.320 9.423 1.00 0.00 C ATOM 1047 OG SER A 68 7.849 8.286 10.491 1.00 0.00 O ATOM 0 H SER A 68 5.142 8.707 7.858 1.00 0.00 H new ATOM 0 HA SER A 68 5.609 9.752 10.373 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.228 7.479 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.440 8.206 8.474 1.00 0.00 H new ATOM 0 HG SER A 68 8.338 7.437 10.471 1.00 0.00 H new ATOM 1053 N PHE A 69 7.616 11.013 8.073 1.00 0.00 N ATOM 1054 CA PHE A 69 8.479 12.138 7.693 1.00 0.00 C ATOM 1055 C PHE A 69 7.808 13.521 7.857 1.00 0.00 C ATOM 1056 O PHE A 69 8.446 14.461 8.336 1.00 0.00 O ATOM 1057 CB PHE A 69 8.903 11.869 6.247 1.00 0.00 C ATOM 1058 CG PHE A 69 9.677 12.952 5.532 1.00 0.00 C ATOM 1059 CD1 PHE A 69 11.081 12.995 5.595 1.00 0.00 C ATOM 1060 CD2 PHE A 69 8.979 13.879 4.736 1.00 0.00 C ATOM 1061 CE1 PHE A 69 11.782 13.969 4.861 1.00 0.00 C ATOM 1062 CE2 PHE A 69 9.676 14.844 3.996 1.00 0.00 C ATOM 1063 CZ PHE A 69 11.077 14.886 4.059 1.00 0.00 C ATOM 0 H PHE A 69 7.461 10.360 7.305 1.00 0.00 H new ATOM 0 HA PHE A 69 9.338 12.193 8.362 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.507 10.962 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.004 11.659 5.667 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.619 12.284 6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.900 13.847 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.860 14.013 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.138 15.551 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.618 15.627 3.489 1.00 0.00 H new