USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 402 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 35 SER OG : rot -70:sc= -1.4! USER MOD Set 1.2: A 38 LYS NZ :NH3+ -121:sc=0.000362 (180deg=-1.06) USER MOD Set 2.1: A 24 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.065) USER MOD Set 3.1: A 4 HIS :FLIP no HE2:sc= -2.84 F(o=-7.7!,f=-2) USER MOD Set 3.2: A 64 LYS NZ :NH3+ 180:sc= 0.866 (180deg=0) USER MOD Single : A 1 ILE N :NH3+ -152:sc= -2.3! (180deg=-5.69!) USER MOD Single : A 5 THR OG1 : rot -167:sc= -4.27! USER MOD Single : A 6 THR OG1 : rot -54:sc= 0.0423 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 21 ASN : amide:sc= -2.68! C(o=-2.7!,f=-6!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 26:sc= 1.03 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.569 USER MOD Single : A 61 SER OG : rot 180:sc= 0.074 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 66 ASN : amide:sc= -2.96! C(o=-3!,f=-4.5!) USER MOD Single : A 68 HIS : no HD1:sc= -0.87 X(o=-0.87,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.406 10.629 -0.902 1.00 0.00 N ATOM 2 CA ILE A 1 -1.442 11.607 -0.474 1.00 0.00 C ATOM 3 C ILE A 1 -1.833 11.392 0.991 1.00 0.00 C ATOM 4 O ILE A 1 -1.752 12.315 1.801 1.00 0.00 O ATOM 5 CB ILE A 1 -2.698 11.510 -1.368 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.328 11.779 -2.829 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.769 12.491 -0.908 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.132 10.968 -3.821 1.00 0.00 C ATOM 0 H1 ILE A 1 0.170 11.044 -1.662 1.00 0.00 H new ATOM 0 H2 ILE A 1 0.205 10.394 -0.094 1.00 0.00 H new ATOM 0 H3 ILE A 1 -0.867 9.764 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.012 12.603 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.100 10.501 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.469 12.839 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.269 11.564 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.643 12.404 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -4.052 12.265 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.379 13.507 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.813 11.213 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.972 9.906 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -4.191 11.200 -3.707 1.00 0.00 H new ATOM 22 N VAL A 2 -2.254 10.171 1.327 1.00 0.00 N ATOM 23 CA VAL A 2 -2.655 9.841 2.699 1.00 0.00 C ATOM 24 C VAL A 2 -2.631 8.326 2.923 1.00 0.00 C ATOM 25 O VAL A 2 -1.932 7.603 2.212 1.00 0.00 O ATOM 26 CB VAL A 2 -4.070 10.380 3.029 1.00 0.00 C ATOM 27 CG1 VAL A 2 -4.125 10.857 4.467 1.00 0.00 C ATOM 28 CG2 VAL A 2 -4.479 11.502 2.083 1.00 0.00 C ATOM 0 H VAL A 2 -2.327 9.394 0.670 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.936 10.321 3.363 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.778 9.562 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.124 11.234 4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.895 10.027 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.396 11.654 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.477 11.854 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.770 12.325 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.484 11.130 1.058 1.00 0.00 H new ATOM 38 N CYS A 3 -3.399 7.840 3.903 1.00 0.00 N ATOM 39 CA CYS A 3 -3.455 6.408 4.178 1.00 0.00 C ATOM 40 C CYS A 3 -4.484 5.734 3.264 1.00 0.00 C ATOM 41 O CYS A 3 -4.721 6.213 2.156 1.00 0.00 O ATOM 42 CB CYS A 3 -3.759 6.149 5.658 1.00 0.00 C ATOM 43 SG CYS A 3 -2.298 6.284 6.743 1.00 0.00 S ATOM 0 H CYS A 3 -3.984 8.413 4.511 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.479 5.971 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.516 6.858 5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.187 5.152 5.763 1.00 0.00 H new ATOM 48 N HIS A 4 -5.061 4.604 3.702 1.00 0.00 N ATOM 49 CA HIS A 4 -6.031 3.844 2.892 1.00 0.00 C ATOM 50 C HIS A 4 -6.786 4.702 1.885 1.00 0.00 C ATOM 51 O HIS A 4 -7.086 5.866 2.139 1.00 0.00 O ATOM 52 CB HIS A 4 -7.003 3.108 3.801 1.00 0.00 C ATOM 53 CG HIS A 4 -6.287 2.231 4.764 1.00 0.00 C ATOM 54 ND1 HIS A 4 -6.152 2.320 6.101 1.00 0.00 N flip ATOM 55 CD2 HIS A 4 -5.545 1.140 4.372 1.00 0.00 C flip ATOM 56 CE1 HIS A 4 -5.333 1.295 6.500 1.00 0.00 C flip ATOM 57 NE2 HIS A 4 -4.983 0.597 5.433 1.00 0.00 N flip ATOM 0 H HIS A 4 -4.873 4.194 4.617 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.456 3.127 2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -7.611 3.830 4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.685 2.508 3.198 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.580 3.021 6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.440 0.786 3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.026 1.092 7.515 1.00 0.00 H new ATOM 66 N THR A 5 -7.073 4.105 0.729 1.00 0.00 N ATOM 67 CA THR A 5 -7.774 4.794 -0.337 1.00 0.00 C ATOM 68 C THR A 5 -8.874 3.921 -0.936 1.00 0.00 C ATOM 69 O THR A 5 -8.878 2.701 -0.770 1.00 0.00 O ATOM 70 CB THR A 5 -6.778 5.213 -1.428 1.00 0.00 C ATOM 71 OG1 THR A 5 -5.950 6.260 -0.962 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.452 5.700 -2.691 1.00 0.00 C ATOM 0 H THR A 5 -6.826 3.139 0.513 1.00 0.00 H new ATOM 0 HA THR A 5 -8.246 5.682 0.085 1.00 0.00 H new ATOM 0 HB THR A 5 -6.201 4.318 -1.660 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.466 6.655 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.694 5.981 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.075 4.905 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.073 6.566 -2.461 1.00 0.00 H new ATOM 80 N THR A 6 -9.801 4.561 -1.641 1.00 0.00 N ATOM 81 CA THR A 6 -10.906 3.859 -2.281 1.00 0.00 C ATOM 82 C THR A 6 -11.641 4.786 -3.249 1.00 0.00 C ATOM 83 O THR A 6 -12.864 4.720 -3.374 1.00 0.00 O ATOM 84 CB THR A 6 -11.870 3.301 -1.227 1.00 0.00 C ATOM 85 OG1 THR A 6 -12.666 2.265 -1.774 1.00 0.00 O ATOM 86 CG2 THR A 6 -12.808 4.338 -0.651 1.00 0.00 C ATOM 0 H THR A 6 -9.808 5.571 -1.784 1.00 0.00 H new ATOM 0 HA THR A 6 -10.501 3.023 -2.851 1.00 0.00 H new ATOM 0 HB THR A 6 -11.229 2.933 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.120 2.592 -2.579 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.459 3.870 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.228 5.128 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.414 4.765 -1.450 1.00 0.00 H new ATOM 94 N ALA A 7 -10.868 5.646 -3.924 1.00 0.00 N ATOM 95 CA ALA A 7 -11.389 6.615 -4.901 1.00 0.00 C ATOM 96 C ALA A 7 -11.379 8.034 -4.331 1.00 0.00 C ATOM 97 O ALA A 7 -10.418 8.778 -4.528 1.00 0.00 O ATOM 98 CB ALA A 7 -12.784 6.242 -5.397 1.00 0.00 C ATOM 0 H ALA A 7 -9.856 5.691 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.721 6.585 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.126 6.987 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.750 5.264 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -13.473 6.209 -4.553 1.00 0.00 H new ATOM 104 N THR A 8 -12.443 8.412 -3.625 1.00 0.00 N ATOM 105 CA THR A 8 -12.529 9.749 -3.039 1.00 0.00 C ATOM 106 C THR A 8 -13.334 9.741 -1.740 1.00 0.00 C ATOM 107 O THR A 8 -13.761 10.792 -1.261 1.00 0.00 O ATOM 108 CB THR A 8 -13.156 10.725 -4.034 1.00 0.00 C ATOM 109 OG1 THR A 8 -13.047 10.234 -5.358 1.00 0.00 O ATOM 110 CG2 THR A 8 -12.523 12.101 -3.998 1.00 0.00 C ATOM 0 H THR A 8 -13.252 7.817 -3.446 1.00 0.00 H new ATOM 0 HA THR A 8 -11.515 10.073 -2.806 1.00 0.00 H new ATOM 0 HB THR A 8 -14.200 10.814 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.456 10.873 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.013 12.746 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.637 12.528 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.463 12.020 -4.239 1.00 0.00 H new ATOM 223 N PRO A 17 2.955 12.587 7.596 1.00 0.00 N ATOM 224 CA PRO A 17 3.315 13.949 7.168 1.00 0.00 C ATOM 225 C PRO A 17 2.546 14.413 5.923 1.00 0.00 C ATOM 226 O PRO A 17 1.695 13.692 5.402 1.00 0.00 O ATOM 227 CB PRO A 17 4.812 13.828 6.880 1.00 0.00 C ATOM 228 CG PRO A 17 5.280 12.789 7.834 1.00 0.00 C ATOM 229 CD PRO A 17 4.154 11.798 7.950 1.00 0.00 C ATOM 0 HA PRO A 17 3.067 14.696 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.997 13.533 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.327 14.776 7.038 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.188 12.307 7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.516 13.227 8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.292 10.954 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.082 11.390 8.958 1.00 0.00 H new ATOM 237 N PRO A 18 2.832 15.638 5.435 1.00 0.00 N ATOM 238 CA PRO A 18 2.164 16.215 4.263 1.00 0.00 C ATOM 239 C PRO A 18 1.860 15.199 3.162 1.00 0.00 C ATOM 240 O PRO A 18 2.440 14.113 3.121 1.00 0.00 O ATOM 241 CB PRO A 18 3.181 17.243 3.786 1.00 0.00 C ATOM 242 CG PRO A 18 3.789 17.752 5.044 1.00 0.00 C ATOM 243 CD PRO A 18 3.827 16.579 5.997 1.00 0.00 C ATOM 0 HA PRO A 18 1.184 16.621 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.929 16.792 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.705 18.043 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.792 18.140 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.200 18.571 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.820 16.132 6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.566 16.879 7.012 1.00 0.00 H new ATOM 251 N GLY A 19 0.936 15.572 2.274 1.00 0.00 N ATOM 252 CA GLY A 19 0.539 14.702 1.176 1.00 0.00 C ATOM 253 C GLY A 19 1.713 14.025 0.495 1.00 0.00 C ATOM 254 O GLY A 19 2.767 14.631 0.310 1.00 0.00 O ATOM 0 H GLY A 19 0.452 16.470 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.143 13.940 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.012 15.286 0.439 1.00 0.00 H new ATOM 258 N GLU A 20 1.529 12.758 0.136 1.00 0.00 N ATOM 259 CA GLU A 20 2.581 11.984 -0.513 1.00 0.00 C ATOM 260 C GLU A 20 3.741 11.809 0.450 1.00 0.00 C ATOM 261 O GLU A 20 4.058 12.731 1.201 1.00 0.00 O ATOM 262 CB GLU A 20 3.051 12.685 -1.788 1.00 0.00 C ATOM 263 CG GLU A 20 1.915 13.261 -2.615 1.00 0.00 C ATOM 264 CD GLU A 20 2.239 13.322 -4.096 1.00 0.00 C ATOM 265 OE1 GLU A 20 2.916 12.399 -4.594 1.00 0.00 O ATOM 266 OE2 GLU A 20 1.815 14.294 -4.756 1.00 0.00 O ATOM 0 H GLU A 20 0.660 12.245 0.284 1.00 0.00 H new ATOM 0 HA GLU A 20 2.189 11.005 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.738 13.487 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.611 11.976 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.021 12.655 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.683 14.264 -2.257 1.00 0.00 H new ATOM 273 N ASN A 21 4.357 10.623 0.460 1.00 0.00 N ATOM 274 CA ASN A 21 5.461 10.357 1.374 1.00 0.00 C ATOM 275 C ASN A 21 4.902 9.910 2.720 1.00 0.00 C ATOM 276 O ASN A 21 5.500 10.146 3.769 1.00 0.00 O ATOM 277 CB ASN A 21 6.359 11.594 1.557 1.00 0.00 C ATOM 278 CG ASN A 21 6.628 12.324 0.253 1.00 0.00 C ATOM 279 OD1 ASN A 21 6.225 11.878 -0.822 1.00 0.00 O ATOM 280 ND2 ASN A 21 7.313 13.457 0.344 1.00 0.00 N ATOM 0 H ASN A 21 4.110 9.843 -0.149 1.00 0.00 H new ATOM 0 HA ASN A 21 6.078 9.567 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.887 12.279 2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.307 11.287 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.524 13.994 -0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.628 13.791 1.255 1.00 0.00 H new ATOM 287 N LEU A 22 3.736 9.273 2.669 1.00 0.00 N ATOM 288 CA LEU A 22 3.060 8.795 3.864 1.00 0.00 C ATOM 289 C LEU A 22 2.313 7.498 3.569 1.00 0.00 C ATOM 290 O LEU A 22 2.056 7.176 2.410 1.00 0.00 O ATOM 291 CB LEU A 22 2.093 9.864 4.377 1.00 0.00 C ATOM 292 CG LEU A 22 1.406 10.687 3.290 1.00 0.00 C ATOM 293 CD1 LEU A 22 0.633 9.779 2.351 1.00 0.00 C ATOM 294 CD2 LEU A 22 0.489 11.735 3.909 1.00 0.00 C ATOM 0 H LEU A 22 3.238 9.076 1.801 1.00 0.00 H new ATOM 0 HA LEU A 22 3.804 8.594 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.328 9.379 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.639 10.541 5.034 1.00 0.00 H new ATOM 0 HG LEU A 22 2.170 11.207 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.148 10.379 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.318 9.072 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.123 9.232 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.009 12.311 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.273 11.241 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.074 12.403 4.540 1.00 0.00 H new ATOM 306 N CYS A 23 1.980 6.757 4.625 1.00 0.00 N ATOM 307 CA CYS A 23 1.272 5.476 4.507 1.00 0.00 C ATOM 308 C CYS A 23 1.633 4.731 3.220 1.00 0.00 C ATOM 309 O CYS A 23 1.121 5.030 2.142 1.00 0.00 O ATOM 310 CB CYS A 23 -0.228 5.693 4.588 1.00 0.00 C ATOM 311 SG CYS A 23 -1.011 4.889 6.026 1.00 0.00 S ATOM 0 H CYS A 23 2.191 7.024 5.586 1.00 0.00 H new ATOM 0 HA CYS A 23 1.591 4.852 5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.429 6.764 4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.690 5.315 3.676 1.00 0.00 H new ATOM 316 N TYR A 24 2.536 3.772 3.354 1.00 0.00 N ATOM 317 CA TYR A 24 3.012 2.981 2.223 1.00 0.00 C ATOM 318 C TYR A 24 2.554 1.530 2.292 1.00 0.00 C ATOM 319 O TYR A 24 1.694 1.166 3.092 1.00 0.00 O ATOM 320 CB TYR A 24 4.542 3.035 2.181 1.00 0.00 C ATOM 321 CG TYR A 24 5.259 2.025 3.062 1.00 0.00 C ATOM 322 CD1 TYR A 24 4.665 1.503 4.207 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.546 1.607 2.744 1.00 0.00 C ATOM 324 CE1 TYR A 24 5.333 0.594 5.005 1.00 0.00 C ATOM 325 CE2 TYR A 24 7.218 0.698 3.539 1.00 0.00 C ATOM 326 CZ TYR A 24 6.608 0.194 4.666 1.00 0.00 C ATOM 327 OH TYR A 24 7.275 -0.712 5.459 1.00 0.00 O ATOM 0 H TYR A 24 2.960 3.518 4.246 1.00 0.00 H new ATOM 0 HA TYR A 24 2.586 3.411 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.865 2.885 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.861 4.036 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.666 1.813 4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.029 1.999 1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.858 0.198 5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.218 0.384 3.277 1.00 0.00 H new ATOM 0 HH TYR A 24 6.628 -1.308 5.890 1.00 0.00 H new ATOM 337 N ARG A 25 3.168 0.707 1.447 1.00 0.00 N ATOM 338 CA ARG A 25 2.873 -0.713 1.395 1.00 0.00 C ATOM 339 C ARG A 25 4.096 -1.466 0.877 1.00 0.00 C ATOM 340 O ARG A 25 4.954 -0.883 0.214 1.00 0.00 O ATOM 341 CB ARG A 25 1.652 -0.993 0.506 1.00 0.00 C ATOM 342 CG ARG A 25 1.280 0.153 -0.427 1.00 0.00 C ATOM 343 CD ARG A 25 2.174 0.181 -1.655 1.00 0.00 C ATOM 344 NE ARG A 25 1.459 0.621 -2.850 1.00 0.00 N ATOM 345 CZ ARG A 25 0.433 -0.039 -3.387 1.00 0.00 C ATOM 346 NH1 ARG A 25 0.001 -1.167 -2.840 1.00 0.00 N ATOM 347 NH2 ARG A 25 -0.161 0.433 -4.476 1.00 0.00 N ATOM 0 H ARG A 25 3.881 1.009 0.783 1.00 0.00 H new ATOM 0 HA ARG A 25 2.634 -1.058 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.849 -1.883 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.797 -1.219 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.239 0.050 -0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.362 1.100 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.017 0.847 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.585 -0.814 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 25 1.763 1.484 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.454 -1.534 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.785 -1.667 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.168 1.300 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.946 -0.071 -4.888 1.00 0.00 H new ATOM 361 N LYS A 26 4.177 -2.753 1.184 1.00 0.00 N ATOM 362 CA LYS A 26 5.304 -3.574 0.747 1.00 0.00 C ATOM 363 C LYS A 26 4.900 -5.041 0.668 1.00 0.00 C ATOM 364 O LYS A 26 4.481 -5.628 1.664 1.00 0.00 O ATOM 365 CB LYS A 26 6.484 -3.406 1.708 1.00 0.00 C ATOM 366 CG LYS A 26 7.707 -2.769 1.067 1.00 0.00 C ATOM 367 CD LYS A 26 8.207 -1.581 1.872 1.00 0.00 C ATOM 368 CE LYS A 26 9.726 -1.536 1.925 1.00 0.00 C ATOM 369 NZ LYS A 26 10.231 -1.358 3.316 1.00 0.00 N ATOM 0 H LYS A 26 3.478 -3.253 1.733 1.00 0.00 H new ATOM 0 HA LYS A 26 5.606 -3.243 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.168 -2.795 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.760 -4.383 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.501 -3.511 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.461 -2.446 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.831 -0.658 1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.809 -1.635 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.131 -2.458 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.087 -0.718 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.261 -1.501 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.010 -0.397 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.775 -2.052 3.942 1.00 0.00 H new ATOM 383 N MET A 27 5.020 -5.636 -0.519 1.00 0.00 N ATOM 384 CA MET A 27 4.653 -7.038 -0.694 1.00 0.00 C ATOM 385 C MET A 27 5.310 -7.909 0.374 1.00 0.00 C ATOM 386 O MET A 27 4.706 -8.866 0.857 1.00 0.00 O ATOM 387 CB MET A 27 5.039 -7.531 -2.092 1.00 0.00 C ATOM 388 CG MET A 27 6.532 -7.492 -2.368 1.00 0.00 C ATOM 389 SD MET A 27 7.235 -9.130 -2.642 1.00 0.00 S ATOM 390 CE MET A 27 7.640 -9.032 -4.384 1.00 0.00 C ATOM 0 H MET A 27 5.364 -5.175 -1.362 1.00 0.00 H new ATOM 0 HA MET A 27 3.571 -7.117 -0.586 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.683 -8.554 -2.217 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.526 -6.922 -2.836 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.719 -6.870 -3.244 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.040 -7.020 -1.527 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.086 -9.973 -4.707 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.733 -8.844 -4.958 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.348 -8.220 -4.548 1.00 0.00 H new ATOM 400 N TRP A 28 6.547 -7.555 0.744 1.00 0.00 N ATOM 401 CA TRP A 28 7.313 -8.280 1.766 1.00 0.00 C ATOM 402 C TRP A 28 6.873 -9.741 1.886 1.00 0.00 C ATOM 403 O TRP A 28 6.664 -10.249 2.989 1.00 0.00 O ATOM 404 CB TRP A 28 7.174 -7.581 3.121 1.00 0.00 C ATOM 405 CG TRP A 28 8.477 -7.422 3.846 1.00 0.00 C ATOM 406 CD1 TRP A 28 9.554 -8.262 3.796 1.00 0.00 C ATOM 407 CD2 TRP A 28 8.839 -6.359 4.734 1.00 0.00 C ATOM 408 NE1 TRP A 28 10.562 -7.785 4.597 1.00 0.00 N ATOM 409 CE2 TRP A 28 10.149 -6.617 5.184 1.00 0.00 C ATOM 410 CE3 TRP A 28 8.186 -5.211 5.190 1.00 0.00 C ATOM 411 CZ2 TRP A 28 10.813 -5.769 6.068 1.00 0.00 C ATOM 412 CZ3 TRP A 28 8.845 -4.372 6.069 1.00 0.00 C ATOM 413 CH2 TRP A 28 10.147 -4.654 6.499 1.00 0.00 C ATOM 0 H TRP A 28 7.045 -6.759 0.344 1.00 0.00 H new ATOM 0 HA TRP A 28 8.358 -8.275 1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.728 -6.598 2.970 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.486 -8.150 3.746 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.605 -9.169 3.212 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.471 -8.228 4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.183 -4.983 4.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.818 -5.984 6.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.347 -3.484 6.430 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.636 -3.978 7.185 1.00 0.00 H new ATOM 424 N CYS A 29 6.729 -10.407 0.746 1.00 0.00 N ATOM 425 CA CYS A 29 6.307 -11.803 0.727 1.00 0.00 C ATOM 426 C CYS A 29 7.407 -12.697 0.162 1.00 0.00 C ATOM 427 O CYS A 29 7.147 -13.585 -0.652 1.00 0.00 O ATOM 428 CB CYS A 29 5.022 -11.954 -0.093 1.00 0.00 C ATOM 429 SG CYS A 29 3.977 -13.369 0.391 1.00 0.00 S ATOM 0 H CYS A 29 6.898 -10.004 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 29 6.110 -12.116 1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.437 -11.039 -0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.288 -12.058 -1.145 1.00 0.00 H new ATOM 434 N ASP A 30 8.639 -12.460 0.606 1.00 0.00 N ATOM 435 CA ASP A 30 9.783 -13.243 0.157 1.00 0.00 C ATOM 436 C ASP A 30 10.243 -14.202 1.250 1.00 0.00 C ATOM 437 O ASP A 30 10.728 -15.298 0.968 1.00 0.00 O ATOM 438 CB ASP A 30 10.935 -12.319 -0.243 1.00 0.00 C ATOM 439 CG ASP A 30 11.235 -11.281 0.819 1.00 0.00 C ATOM 440 OD1 ASP A 30 10.502 -10.272 0.887 1.00 0.00 O ATOM 441 OD2 ASP A 30 12.205 -11.474 1.584 1.00 0.00 O ATOM 0 H ASP A 30 8.869 -11.729 1.279 1.00 0.00 H new ATOM 0 HA ASP A 30 9.476 -13.826 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.829 -12.915 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.687 -11.817 -1.178 1.00 0.00 H new ATOM 446 N ALA A 31 10.082 -13.781 2.501 1.00 0.00 N ATOM 447 CA ALA A 31 10.473 -14.598 3.643 1.00 0.00 C ATOM 448 C ALA A 31 9.407 -14.549 4.733 1.00 0.00 C ATOM 449 O ALA A 31 9.026 -13.471 5.191 1.00 0.00 O ATOM 450 CB ALA A 31 11.815 -14.133 4.191 1.00 0.00 C ATOM 0 H ALA A 31 9.682 -12.876 2.749 1.00 0.00 H new ATOM 0 HA ALA A 31 10.571 -15.631 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.094 -14.752 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.575 -14.220 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.738 -13.093 4.508 1.00 0.00 H new ATOM 456 N PHE A 32 8.923 -15.719 5.141 1.00 0.00 N ATOM 457 CA PHE A 32 7.895 -15.799 6.173 1.00 0.00 C ATOM 458 C PHE A 32 6.631 -15.067 5.733 1.00 0.00 C ATOM 459 O PHE A 32 6.404 -13.918 6.112 1.00 0.00 O ATOM 460 CB PHE A 32 8.410 -15.202 7.484 1.00 0.00 C ATOM 461 CG PHE A 32 9.347 -16.110 8.229 1.00 0.00 C ATOM 462 CD1 PHE A 32 8.859 -17.172 8.973 1.00 0.00 C ATOM 463 CD2 PHE A 32 10.716 -15.898 8.188 1.00 0.00 C ATOM 464 CE1 PHE A 32 9.719 -18.008 9.659 1.00 0.00 C ATOM 465 CE2 PHE A 32 11.581 -16.730 8.872 1.00 0.00 C ATOM 466 CZ PHE A 32 11.081 -17.785 9.609 1.00 0.00 C ATOM 0 H PHE A 32 9.225 -16.621 4.774 1.00 0.00 H new ATOM 0 HA PHE A 32 7.653 -16.850 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.920 -14.263 7.271 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.560 -14.965 8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.794 -17.348 9.017 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.111 -15.073 7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.327 -18.834 10.233 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.646 -16.556 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 32 11.755 -18.436 10.146 1.00 0.00 H new ATOM 476 N CYS A 33 5.812 -15.734 4.925 1.00 0.00 N ATOM 477 CA CYS A 33 4.576 -15.136 4.434 1.00 0.00 C ATOM 478 C CYS A 33 3.379 -16.038 4.701 1.00 0.00 C ATOM 479 O CYS A 33 2.609 -16.346 3.791 1.00 0.00 O ATOM 480 CB CYS A 33 4.678 -14.848 2.936 1.00 0.00 C ATOM 481 SG CYS A 33 3.913 -13.277 2.419 1.00 0.00 S ATOM 0 H CYS A 33 5.981 -16.685 4.598 1.00 0.00 H new ATOM 0 HA CYS A 33 4.429 -14.200 4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.730 -14.837 2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.208 -15.665 2.388 1.00 0.00 H new ATOM 486 N SER A 34 3.205 -16.442 5.958 1.00 0.00 N ATOM 487 CA SER A 34 2.070 -17.287 6.329 1.00 0.00 C ATOM 488 C SER A 34 0.775 -16.682 5.788 1.00 0.00 C ATOM 489 O SER A 34 -0.207 -17.386 5.551 1.00 0.00 O ATOM 490 CB SER A 34 1.987 -17.434 7.849 1.00 0.00 C ATOM 491 OG SER A 34 1.466 -16.260 8.447 1.00 0.00 O ATOM 0 H SER A 34 3.827 -16.202 6.730 1.00 0.00 H new ATOM 0 HA SER A 34 2.212 -18.276 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.355 -18.286 8.101 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.978 -17.642 8.252 1.00 0.00 H new ATOM 0 HG SER A 34 1.421 -16.380 9.419 1.00 0.00 H new ATOM 497 N SER A 35 0.800 -15.365 5.588 1.00 0.00 N ATOM 498 CA SER A 35 -0.336 -14.619 5.065 1.00 0.00 C ATOM 499 C SER A 35 -1.027 -15.357 3.920 1.00 0.00 C ATOM 500 O SER A 35 -2.254 -15.413 3.858 1.00 0.00 O ATOM 501 CB SER A 35 0.147 -13.253 4.577 1.00 0.00 C ATOM 502 OG SER A 35 -0.659 -12.211 5.098 1.00 0.00 O ATOM 0 H SER A 35 1.615 -14.785 5.786 1.00 0.00 H new ATOM 0 HA SER A 35 -1.064 -14.504 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.183 -13.101 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.125 -13.224 3.488 1.00 0.00 H new ATOM 0 HG SER A 35 -1.545 -12.243 4.681 1.00 0.00 H new ATOM 508 N ARG A 36 -0.230 -15.916 3.014 1.00 0.00 N ATOM 509 CA ARG A 36 -0.764 -16.644 1.870 1.00 0.00 C ATOM 510 C ARG A 36 -1.862 -15.841 1.173 1.00 0.00 C ATOM 511 O ARG A 36 -2.967 -16.336 0.952 1.00 0.00 O ATOM 512 CB ARG A 36 -1.299 -18.000 2.323 1.00 0.00 C ATOM 513 CG ARG A 36 -1.897 -18.830 1.198 1.00 0.00 C ATOM 514 CD ARG A 36 -1.041 -20.047 0.885 1.00 0.00 C ATOM 515 NE ARG A 36 0.350 -19.685 0.620 1.00 0.00 N ATOM 516 CZ ARG A 36 0.760 -19.080 -0.492 1.00 0.00 C ATOM 517 NH1 ARG A 36 -0.111 -18.760 -1.441 1.00 0.00 N ATOM 518 NH2 ARG A 36 2.044 -18.792 -0.654 1.00 0.00 N ATOM 0 H ARG A 36 0.789 -15.878 3.051 1.00 0.00 H new ATOM 0 HA ARG A 36 0.041 -16.801 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.489 -18.563 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.058 -17.843 3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.900 -19.152 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.996 -18.214 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.081 -20.743 1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.452 -20.566 0.019 1.00 0.00 H new ATOM 0 HE ARG A 36 1.048 -19.909 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.100 -18.978 -1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.209 -18.296 -2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.717 -19.034 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.359 -18.328 -1.506 1.00 0.00 H new ATOM 532 N GLY A 37 -1.548 -14.595 0.832 1.00 0.00 N ATOM 533 CA GLY A 37 -2.513 -13.739 0.167 1.00 0.00 C ATOM 534 C GLY A 37 -2.468 -12.309 0.672 1.00 0.00 C ATOM 535 O GLY A 37 -3.508 -11.698 0.919 1.00 0.00 O ATOM 0 H GLY A 37 -0.641 -14.162 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.323 -13.748 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.515 -14.142 0.316 1.00 0.00 H new ATOM 539 N LYS A 38 -1.260 -11.772 0.824 1.00 0.00 N ATOM 540 CA LYS A 38 -1.085 -10.405 1.302 1.00 0.00 C ATOM 541 C LYS A 38 -0.530 -9.508 0.196 1.00 0.00 C ATOM 542 O LYS A 38 -0.571 -9.866 -0.981 1.00 0.00 O ATOM 543 CB LYS A 38 -0.158 -10.383 2.522 1.00 0.00 C ATOM 544 CG LYS A 38 1.290 -10.724 2.200 1.00 0.00 C ATOM 545 CD LYS A 38 2.250 -9.681 2.752 1.00 0.00 C ATOM 546 CE LYS A 38 2.115 -9.540 4.261 1.00 0.00 C ATOM 547 NZ LYS A 38 2.642 -10.731 4.984 1.00 0.00 N ATOM 0 H LYS A 38 -0.389 -12.263 0.623 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.061 -10.018 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.196 -9.393 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.532 -11.089 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.535 -11.701 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.415 -10.798 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.274 -9.959 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.056 -8.719 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.651 -8.650 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.066 -9.395 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.884 -11.152 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.984 -11.432 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.426 -10.442 5.603 1.00 0.00 H new ATOM 627 N GLY A 43 2.697 1.293 7.003 1.00 0.00 N ATOM 628 CA GLY A 43 3.770 2.166 7.453 1.00 0.00 C ATOM 629 C GLY A 43 3.576 3.590 6.965 1.00 0.00 C ATOM 630 O GLY A 43 2.509 4.173 7.155 1.00 0.00 O ATOM 0 HA2 GLY A 43 3.814 2.157 8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.725 1.784 7.092 1.00 0.00 H new ATOM 634 N CYS A 44 4.598 4.144 6.317 1.00 0.00 N ATOM 635 CA CYS A 44 4.519 5.500 5.779 1.00 0.00 C ATOM 636 C CYS A 44 5.501 5.676 4.618 1.00 0.00 C ATOM 637 O CYS A 44 6.717 5.679 4.806 1.00 0.00 O ATOM 638 CB CYS A 44 4.756 6.548 6.877 1.00 0.00 C ATOM 639 SG CYS A 44 3.281 6.868 7.912 1.00 0.00 S ATOM 0 H CYS A 44 5.489 3.676 6.152 1.00 0.00 H new ATOM 0 HA CYS A 44 3.511 5.655 5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.573 6.214 7.516 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.075 7.482 6.414 1.00 0.00 H new ATOM 0 HG CYS A 44 2.508 5.823 7.901 1.00 0.00 H new ATOM 644 N ALA A 45 4.945 5.776 3.411 1.00 0.00 N ATOM 645 CA ALA A 45 5.727 5.904 2.174 1.00 0.00 C ATOM 646 C ALA A 45 6.480 7.215 2.051 1.00 0.00 C ATOM 647 O ALA A 45 6.470 7.828 0.987 1.00 0.00 O ATOM 648 CB ALA A 45 4.811 5.729 0.968 1.00 0.00 C ATOM 0 H ALA A 45 3.936 5.771 3.259 1.00 0.00 H new ATOM 0 HA ALA A 45 6.482 5.119 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.394 5.824 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.348 4.743 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.035 6.495 0.986 1.00 0.00 H new ATOM 654 N ALA A 46 7.161 7.635 3.107 1.00 0.00 N ATOM 655 CA ALA A 46 7.929 8.863 3.038 1.00 0.00 C ATOM 656 C ALA A 46 9.164 8.647 2.176 1.00 0.00 C ATOM 657 O ALA A 46 10.288 8.600 2.677 1.00 0.00 O ATOM 658 CB ALA A 46 8.312 9.346 4.429 1.00 0.00 C ATOM 0 H ALA A 46 7.196 7.152 4.005 1.00 0.00 H new ATOM 0 HA ALA A 46 7.313 9.638 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.887 10.268 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.409 9.531 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.914 8.585 4.925 1.00 0.00 H new ATOM 664 N THR A 47 8.930 8.488 0.874 1.00 0.00 N ATOM 665 CA THR A 47 9.995 8.246 -0.096 1.00 0.00 C ATOM 666 C THR A 47 10.417 6.782 -0.052 1.00 0.00 C ATOM 667 O THR A 47 10.174 6.086 0.934 1.00 0.00 O ATOM 668 CB THR A 47 11.194 9.184 0.144 1.00 0.00 C ATOM 669 OG1 THR A 47 11.257 10.174 -0.868 1.00 0.00 O ATOM 670 CG2 THR A 47 12.540 8.483 0.175 1.00 0.00 C ATOM 0 H THR A 47 7.997 8.523 0.463 1.00 0.00 H new ATOM 0 HA THR A 47 9.612 8.465 -1.093 1.00 0.00 H new ATOM 0 HB THR A 47 11.016 9.615 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.022 10.763 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.328 9.216 0.349 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.548 7.745 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.712 7.984 -0.779 1.00 0.00 H new ATOM 678 N CYS A 48 11.030 6.316 -1.131 1.00 0.00 N ATOM 679 CA CYS A 48 11.463 4.926 -1.218 1.00 0.00 C ATOM 680 C CYS A 48 12.857 4.812 -1.831 1.00 0.00 C ATOM 681 O CYS A 48 13.001 4.665 -3.045 1.00 0.00 O ATOM 682 CB CYS A 48 10.465 4.111 -2.043 1.00 0.00 C ATOM 683 SG CYS A 48 9.718 5.021 -3.435 1.00 0.00 S ATOM 0 H CYS A 48 11.239 6.877 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 48 11.505 4.528 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.970 3.227 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.670 3.760 -1.386 1.00 0.00 H new ATOM 688 N PRO A 49 13.905 4.873 -0.993 1.00 0.00 N ATOM 689 CA PRO A 49 15.289 4.772 -1.446 1.00 0.00 C ATOM 690 C PRO A 49 15.764 3.325 -1.555 1.00 0.00 C ATOM 691 O PRO A 49 16.840 3.055 -2.090 1.00 0.00 O ATOM 692 CB PRO A 49 16.045 5.500 -0.342 1.00 0.00 C ATOM 693 CG PRO A 49 15.265 5.209 0.896 1.00 0.00 C ATOM 694 CD PRO A 49 13.825 5.045 0.471 1.00 0.00 C ATOM 0 HA PRO A 49 15.435 5.187 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.071 5.141 -0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.097 6.571 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.631 4.304 1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.366 6.020 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.363 4.182 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.227 5.916 0.739 1.00 0.00 H new ATOM 702 N SER A 50 14.961 2.398 -1.039 1.00 0.00 N ATOM 703 CA SER A 50 15.306 0.983 -1.074 1.00 0.00 C ATOM 704 C SER A 50 14.895 0.348 -2.410 1.00 0.00 C ATOM 705 O SER A 50 15.368 0.771 -3.463 1.00 0.00 O ATOM 706 CB SER A 50 14.656 0.257 0.108 1.00 0.00 C ATOM 707 OG SER A 50 15.030 0.850 1.339 1.00 0.00 O ATOM 0 H SER A 50 14.067 2.603 -0.592 1.00 0.00 H new ATOM 0 HA SER A 50 16.388 0.885 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.571 0.283 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.952 -0.792 0.102 1.00 0.00 H new ATOM 0 HG SER A 50 14.601 0.369 2.077 1.00 0.00 H new ATOM 713 N LYS A 51 14.025 -0.669 -2.361 1.00 0.00 N ATOM 714 CA LYS A 51 13.562 -1.363 -3.563 1.00 0.00 C ATOM 715 C LYS A 51 14.739 -1.872 -4.398 1.00 0.00 C ATOM 716 O LYS A 51 15.872 -1.433 -4.212 1.00 0.00 O ATOM 717 CB LYS A 51 12.650 -0.455 -4.404 1.00 0.00 C ATOM 718 CG LYS A 51 13.383 0.607 -5.213 1.00 0.00 C ATOM 719 CD LYS A 51 12.719 0.838 -6.561 1.00 0.00 C ATOM 720 CE LYS A 51 13.267 2.079 -7.245 1.00 0.00 C ATOM 721 NZ LYS A 51 12.433 3.281 -6.969 1.00 0.00 N ATOM 0 H LYS A 51 13.627 -1.029 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 51 12.981 -2.228 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.070 -1.077 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.940 0.039 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.406 1.542 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.418 0.301 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.877 -0.031 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.643 0.941 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.287 2.260 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.314 1.909 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.841 4.106 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.466 3.119 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.409 3.459 -5.945 1.00 0.00 H new ATOM 735 N LYS A 52 14.448 -2.808 -5.311 1.00 0.00 N ATOM 736 CA LYS A 52 15.451 -3.417 -6.200 1.00 0.00 C ATOM 737 C LYS A 52 15.781 -4.851 -5.774 1.00 0.00 C ATOM 738 O LYS A 52 15.621 -5.782 -6.564 1.00 0.00 O ATOM 739 CB LYS A 52 16.735 -2.579 -6.300 1.00 0.00 C ATOM 740 CG LYS A 52 17.502 -2.797 -7.594 1.00 0.00 C ATOM 741 CD LYS A 52 17.110 -1.778 -8.653 1.00 0.00 C ATOM 742 CE LYS A 52 17.654 -0.397 -8.328 1.00 0.00 C ATOM 743 NZ LYS A 52 16.803 0.683 -8.900 1.00 0.00 N ATOM 0 H LYS A 52 13.504 -3.167 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 52 15.002 -3.445 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.478 -1.523 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.383 -2.820 -5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.572 -2.728 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.310 -3.803 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.486 -2.099 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.024 -1.733 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.716 -0.276 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.668 -0.305 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.208 1.610 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.764 0.583 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.842 0.611 -8.509 1.00 0.00 H new ATOM 757 N PRO A 53 16.238 -5.069 -4.521 1.00 0.00 N ATOM 758 CA PRO A 53 16.565 -6.416 -4.036 1.00 0.00 C ATOM 759 C PRO A 53 15.373 -7.359 -4.157 1.00 0.00 C ATOM 760 O PRO A 53 15.428 -8.360 -4.868 1.00 0.00 O ATOM 761 CB PRO A 53 16.929 -6.200 -2.564 1.00 0.00 C ATOM 762 CG PRO A 53 17.303 -4.762 -2.468 1.00 0.00 C ATOM 763 CD PRO A 53 16.458 -4.047 -3.483 1.00 0.00 C ATOM 0 HA PRO A 53 17.367 -6.876 -4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 53 16.088 -6.434 -1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.755 -6.844 -2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 53 17.118 -4.377 -1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 53 18.364 -4.620 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.518 -3.702 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.966 -3.170 -3.883 1.00 0.00 H new ATOM 771 N TYR A 54 14.293 -7.017 -3.462 1.00 0.00 N ATOM 772 CA TYR A 54 13.072 -7.814 -3.494 1.00 0.00 C ATOM 773 C TYR A 54 11.927 -7.018 -4.121 1.00 0.00 C ATOM 774 O TYR A 54 10.760 -7.396 -4.009 1.00 0.00 O ATOM 775 CB TYR A 54 12.684 -8.277 -2.083 1.00 0.00 C ATOM 776 CG TYR A 54 13.348 -7.497 -0.969 1.00 0.00 C ATOM 777 CD1 TYR A 54 13.051 -6.156 -0.760 1.00 0.00 C ATOM 778 CD2 TYR A 54 14.271 -8.103 -0.125 1.00 0.00 C ATOM 779 CE1 TYR A 54 13.656 -5.440 0.257 1.00 0.00 C ATOM 780 CE2 TYR A 54 14.880 -7.395 0.895 1.00 0.00 C ATOM 781 CZ TYR A 54 14.568 -6.063 1.082 1.00 0.00 C ATOM 782 OH TYR A 54 15.171 -5.353 2.095 1.00 0.00 O ATOM 0 H TYR A 54 14.239 -6.190 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 54 13.261 -8.696 -4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.603 -8.198 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.940 -9.331 -1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.336 -5.664 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 54 14.517 -9.145 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.415 -4.398 0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 54 15.596 -7.881 1.542 1.00 0.00 H new ATOM 0 HH TYR A 54 15.786 -5.939 2.584 1.00 0.00 H new ATOM 838 N THR A 58 6.910 -0.692 -2.573 1.00 0.00 N ATOM 839 CA THR A 58 7.223 0.571 -1.918 1.00 0.00 C ATOM 840 C THR A 58 6.524 1.745 -2.599 1.00 0.00 C ATOM 841 O THR A 58 5.974 1.609 -3.693 1.00 0.00 O ATOM 842 CB THR A 58 8.736 0.797 -1.919 1.00 0.00 C ATOM 843 OG1 THR A 58 9.256 0.702 -3.233 1.00 0.00 O ATOM 844 CG2 THR A 58 9.490 -0.191 -1.055 1.00 0.00 C ATOM 0 HA THR A 58 6.861 0.514 -0.892 1.00 0.00 H new ATOM 0 HB THR A 58 8.879 1.797 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.076 1.535 -3.717 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.557 0.026 -1.101 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.147 -0.108 -0.024 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.310 -1.203 -1.417 1.00 0.00 H new ATOM 852 N CYS A 59 6.568 2.899 -1.940 1.00 0.00 N ATOM 853 CA CYS A 59 5.961 4.126 -2.457 1.00 0.00 C ATOM 854 C CYS A 59 4.484 3.934 -2.796 1.00 0.00 C ATOM 855 O CYS A 59 4.000 2.812 -2.937 1.00 0.00 O ATOM 856 CB CYS A 59 6.710 4.647 -3.698 1.00 0.00 C ATOM 857 SG CYS A 59 8.263 3.773 -4.099 1.00 0.00 S ATOM 0 H CYS A 59 7.024 3.012 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 59 6.039 4.866 -1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.043 4.581 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.935 5.703 -3.549 1.00 0.00 H new ATOM 862 N CYS A 60 3.781 5.056 -2.927 1.00 0.00 N ATOM 863 CA CYS A 60 2.362 5.053 -3.256 1.00 0.00 C ATOM 864 C CYS A 60 1.990 6.311 -4.034 1.00 0.00 C ATOM 865 O CYS A 60 2.178 7.430 -3.556 1.00 0.00 O ATOM 866 CB CYS A 60 1.527 4.960 -1.983 1.00 0.00 C ATOM 867 SG CYS A 60 0.685 3.343 -1.773 1.00 0.00 S ATOM 0 H CYS A 60 4.178 5.988 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 60 2.155 4.184 -3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.171 5.139 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.778 5.752 -1.991 1.00 0.00 H new ATOM 872 N SER A 61 1.471 6.116 -5.239 1.00 0.00 N ATOM 873 CA SER A 61 1.079 7.228 -6.098 1.00 0.00 C ATOM 874 C SER A 61 -0.085 8.015 -5.498 1.00 0.00 C ATOM 875 O SER A 61 -0.074 9.246 -5.491 1.00 0.00 O ATOM 876 CB SER A 61 0.692 6.710 -7.485 1.00 0.00 C ATOM 877 OG SER A 61 1.259 5.435 -7.730 1.00 0.00 O ATOM 0 H SER A 61 1.311 5.195 -5.646 1.00 0.00 H new ATOM 0 HA SER A 61 1.934 7.899 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.393 6.650 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.029 7.414 -8.246 1.00 0.00 H new ATOM 0 HG SER A 61 0.995 5.126 -8.622 1.00 0.00 H new ATOM 883 N THR A 62 -1.091 7.299 -5.005 1.00 0.00 N ATOM 884 CA THR A 62 -2.262 7.934 -4.415 1.00 0.00 C ATOM 885 C THR A 62 -2.083 8.120 -2.908 1.00 0.00 C ATOM 886 O THR A 62 -1.596 9.154 -2.459 1.00 0.00 O ATOM 887 CB THR A 62 -3.516 7.105 -4.711 1.00 0.00 C ATOM 888 OG1 THR A 62 -3.180 5.742 -4.906 1.00 0.00 O ATOM 889 CG2 THR A 62 -4.267 7.573 -5.940 1.00 0.00 C ATOM 0 H THR A 62 -1.118 6.279 -5.003 1.00 0.00 H new ATOM 0 HA THR A 62 -2.380 8.921 -4.862 1.00 0.00 H new ATOM 0 HB THR A 62 -4.160 7.233 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.993 5.228 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.144 6.943 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.583 8.607 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.616 7.506 -6.812 1.00 0.00 H new ATOM 897 N ASP A 63 -2.473 7.111 -2.135 1.00 0.00 N ATOM 898 CA ASP A 63 -2.352 7.149 -0.680 1.00 0.00 C ATOM 899 C ASP A 63 -1.835 5.791 -0.209 1.00 0.00 C ATOM 900 O ASP A 63 -0.937 5.250 -0.834 1.00 0.00 O ATOM 901 CB ASP A 63 -3.708 7.481 -0.049 1.00 0.00 C ATOM 902 CG ASP A 63 -4.497 8.494 -0.857 1.00 0.00 C ATOM 903 OD1 ASP A 63 -4.789 8.214 -2.038 1.00 0.00 O ATOM 904 OD2 ASP A 63 -4.826 9.564 -0.308 1.00 0.00 O ATOM 0 H ASP A 63 -2.880 6.248 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.652 7.926 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.292 6.566 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.551 7.868 0.958 1.00 0.00 H new ATOM 909 N LYS A 64 -2.408 5.203 0.847 1.00 0.00 N ATOM 910 CA LYS A 64 -1.960 3.872 1.271 1.00 0.00 C ATOM 911 C LYS A 64 -2.025 2.955 0.088 1.00 0.00 C ATOM 912 O LYS A 64 -1.195 2.063 -0.071 1.00 0.00 O ATOM 913 CB LYS A 64 -2.856 3.266 2.331 1.00 0.00 C ATOM 914 CG LYS A 64 -2.259 3.241 3.727 1.00 0.00 C ATOM 915 CD LYS A 64 -2.239 1.830 4.299 1.00 0.00 C ATOM 916 CE LYS A 64 -2.239 1.839 5.820 1.00 0.00 C ATOM 917 NZ LYS A 64 -2.307 0.463 6.388 1.00 0.00 N ATOM 0 H LYS A 64 -3.157 5.610 1.407 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.954 3.984 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.791 3.825 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.104 2.246 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.244 3.637 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.836 3.893 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.108 1.279 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.355 1.304 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.337 2.335 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.088 2.421 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.305 0.516 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.180 -0.002 6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.484 -0.086 6.067 1.00 0.00 H new ATOM 931 N CYS A 65 -3.057 3.187 -0.728 1.00 0.00 N ATOM 932 CA CYS A 65 -3.298 2.401 -1.914 1.00 0.00 C ATOM 933 C CYS A 65 -4.092 1.140 -1.601 1.00 0.00 C ATOM 934 O CYS A 65 -4.522 0.431 -2.512 1.00 0.00 O ATOM 935 CB CYS A 65 -1.982 2.002 -2.531 1.00 0.00 C ATOM 936 SG CYS A 65 -0.911 3.399 -3.047 1.00 0.00 S ATOM 0 H CYS A 65 -3.741 3.927 -0.574 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.878 3.014 -2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.434 1.389 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.181 1.376 -3.401 1.00 0.00 H new ATOM 941 N ASN A 66 -4.280 0.847 -0.317 1.00 0.00 N ATOM 942 CA ASN A 66 -5.013 -0.343 0.084 1.00 0.00 C ATOM 943 C ASN A 66 -4.222 -1.611 -0.242 1.00 0.00 C ATOM 944 O ASN A 66 -3.180 -1.547 -0.895 1.00 0.00 O ATOM 945 CB ASN A 66 -6.385 -0.383 -0.597 1.00 0.00 C ATOM 946 CG ASN A 66 -7.521 -0.126 0.374 1.00 0.00 C ATOM 947 OD1 ASN A 66 -7.349 -0.221 1.589 1.00 0.00 O ATOM 948 ND2 ASN A 66 -8.691 0.204 -0.160 1.00 0.00 N ATOM 0 H ASN A 66 -3.936 1.415 0.457 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.158 -0.301 1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.415 0.362 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.526 -1.356 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.492 0.390 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.788 0.271 -1.173 1.00 0.00 H new ATOM 955 N PRO A 67 -4.699 -2.787 0.216 1.00 0.00 N ATOM 956 CA PRO A 67 -4.016 -4.065 -0.029 1.00 0.00 C ATOM 957 C PRO A 67 -4.071 -4.503 -1.492 1.00 0.00 C ATOM 958 O PRO A 67 -4.523 -5.606 -1.799 1.00 0.00 O ATOM 959 CB PRO A 67 -4.782 -5.055 0.855 1.00 0.00 C ATOM 960 CG PRO A 67 -6.134 -4.452 1.016 1.00 0.00 C ATOM 961 CD PRO A 67 -5.927 -2.963 1.016 1.00 0.00 C ATOM 0 HA PRO A 67 -2.952 -3.998 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.840 -6.039 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.290 -5.187 1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.795 -4.754 0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.600 -4.781 1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.774 -2.440 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.807 -2.574 2.027 1.00 0.00 H new ATOM 969 N HIS A 68 -3.596 -3.628 -2.383 1.00 0.00 N ATOM 970 CA HIS A 68 -3.562 -3.889 -3.829 1.00 0.00 C ATOM 971 C HIS A 68 -4.484 -5.042 -4.246 1.00 0.00 C ATOM 972 O HIS A 68 -4.020 -6.105 -4.659 1.00 0.00 O ATOM 973 CB HIS A 68 -2.124 -4.179 -4.275 1.00 0.00 C ATOM 974 CG HIS A 68 -1.606 -3.205 -5.288 1.00 0.00 C ATOM 975 ND1 HIS A 68 -0.403 -3.370 -5.944 1.00 0.00 N ATOM 976 CD2 HIS A 68 -2.132 -2.049 -5.759 1.00 0.00 C ATOM 977 CE1 HIS A 68 -0.213 -2.359 -6.773 1.00 0.00 C ATOM 978 NE2 HIS A 68 -1.248 -1.544 -6.680 1.00 0.00 N ATOM 0 H HIS A 68 -3.223 -2.715 -2.123 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.931 -2.991 -4.325 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.471 -4.165 -3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.077 -5.185 -4.692 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.072 -1.607 -5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.643 -2.222 -7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.371 -0.679 -7.207 1.00 0.00 H new ATOM 987 N PRO A 69 -5.810 -4.842 -4.147 1.00 0.00 N ATOM 988 CA PRO A 69 -6.791 -5.863 -4.518 1.00 0.00 C ATOM 989 C PRO A 69 -6.984 -5.950 -6.030 1.00 0.00 C ATOM 990 O PRO A 69 -7.812 -5.240 -6.601 1.00 0.00 O ATOM 991 CB PRO A 69 -8.070 -5.371 -3.844 1.00 0.00 C ATOM 992 CG PRO A 69 -7.928 -3.888 -3.812 1.00 0.00 C ATOM 993 CD PRO A 69 -6.455 -3.605 -3.665 1.00 0.00 C ATOM 0 HA PRO A 69 -6.486 -6.863 -4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.955 -5.673 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.173 -5.782 -2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -8.320 -3.440 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.490 -3.462 -2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.153 -2.740 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.190 -3.393 -2.629 1.00 0.00 H new ATOM 1001 N LYS A 70 -6.214 -6.823 -6.674 1.00 0.00 N ATOM 1002 CA LYS A 70 -6.304 -6.996 -8.120 1.00 0.00 C ATOM 1003 C LYS A 70 -6.632 -8.442 -8.482 1.00 0.00 C ATOM 1004 O LYS A 70 -6.603 -9.328 -7.629 1.00 0.00 O ATOM 1005 CB LYS A 70 -4.991 -6.580 -8.787 1.00 0.00 C ATOM 1006 CG LYS A 70 -3.772 -7.302 -8.234 1.00 0.00 C ATOM 1007 CD LYS A 70 -3.662 -8.715 -8.787 1.00 0.00 C ATOM 1008 CE LYS A 70 -2.224 -9.211 -8.769 1.00 0.00 C ATOM 1009 NZ LYS A 70 -2.132 -10.633 -8.332 1.00 0.00 N ATOM 0 H LYS A 70 -5.523 -7.420 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.110 -6.359 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.061 -6.770 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.854 -5.506 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.871 -6.741 -8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.832 -7.340 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.287 -9.387 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.043 -8.738 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.792 -9.108 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.633 -8.586 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.136 -10.933 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.521 -10.727 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.675 -11.233 -8.986 1.00 0.00 H new ATOM 1023 N GLN A 71 -6.943 -8.670 -9.755 1.00 0.00 N ATOM 1024 CA GLN A 71 -7.277 -10.007 -10.236 1.00 0.00 C ATOM 1025 C GLN A 71 -7.579 -9.983 -11.732 1.00 0.00 C ATOM 1026 O GLN A 71 -6.971 -10.718 -12.510 1.00 0.00 O ATOM 1027 CB GLN A 71 -8.478 -10.569 -9.471 1.00 0.00 C ATOM 1028 CG GLN A 71 -9.598 -9.562 -9.268 1.00 0.00 C ATOM 1029 CD GLN A 71 -10.500 -9.919 -8.104 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -10.251 -9.521 -6.966 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -11.555 -10.675 -8.382 1.00 0.00 N ATOM 0 H GLN A 71 -6.971 -7.946 -10.472 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.416 -10.652 -10.064 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.870 -11.431 -10.010 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.142 -10.927 -8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.168 -8.575 -9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.194 -9.499 -10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.724 -10.983 -9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.197 -10.948 -7.638 1.00 0.00 H new