USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 15 SER OG : rot -77:sc= 0.959 USER MOD Single : A 24 SER OG : rot -16:sc= 0.517 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.7 F(o=-2.4!,f=-1.7) USER MOD Single : A 42 SER OG : rot 180:sc= 0.00164 USER MOD Single : A 47 ASN : amide:sc= -1.34 X(o=-1.3,f=-0.88) USER MOD Single : A 50 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 54 SER OG : rot -153:sc=0.000531 USER MOD Single : A 55 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.2) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0699 (180deg=-0.641) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= -0.794 (180deg=-0.876) USER MOD Single : A 64 THR OG1 : rot 6:sc= 1 USER MOD Single : A 66 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.3!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.258 USER MOD Single : A 70 ASN : amide:sc= -6! C(o=-6!,f=-15!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0257 (180deg=-0.361) USER MOD Single : A 75 HIS : no HE2:sc= -4.27! C(o=-4.3!,f=-7.7!) USER MOD Single : A 76 SER OG : rot -130:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -9.115 -12.808 3.453 1.00 0.00 N ATOM 111 CA HIS A 7 -8.784 -12.916 4.912 1.00 0.00 C ATOM 112 C HIS A 7 -7.246 -12.913 5.095 1.00 0.00 C ATOM 113 O HIS A 7 -6.735 -12.252 5.977 1.00 0.00 O ATOM 114 CB HIS A 7 -9.423 -14.228 5.485 1.00 0.00 C ATOM 115 CG HIS A 7 -10.251 -13.948 6.720 1.00 0.00 C ATOM 116 ND1 HIS A 7 -11.594 -13.605 6.652 1.00 0.00 N ATOM 117 CD2 HIS A 7 -9.940 -13.980 8.054 1.00 0.00 C ATOM 118 CE1 HIS A 7 -12.035 -13.447 7.913 1.00 0.00 C ATOM 119 NE2 HIS A 7 -11.067 -13.664 8.807 1.00 0.00 N ATOM 0 HA HIS A 7 -9.191 -12.065 5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.050 -14.692 4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.636 -14.942 5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.967 -14.215 8.460 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.049 -13.177 8.171 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.138 -13.610 9.823 1.00 0.00 H new ATOM 127 N PRO A 8 -6.507 -13.637 4.276 1.00 0.00 N ATOM 128 CA PRO A 8 -5.013 -13.690 4.386 1.00 0.00 C ATOM 129 C PRO A 8 -4.366 -12.315 4.156 1.00 0.00 C ATOM 130 O PRO A 8 -4.811 -11.535 3.333 1.00 0.00 O ATOM 131 CB PRO A 8 -4.576 -14.705 3.294 1.00 0.00 C ATOM 132 CG PRO A 8 -5.833 -15.448 2.920 1.00 0.00 C ATOM 133 CD PRO A 8 -6.994 -14.473 3.171 1.00 0.00 C ATOM 0 HA PRO A 8 -4.695 -13.989 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.148 -14.195 2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.814 -15.386 3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.805 -15.761 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.945 -16.351 3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.217 -13.878 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.910 -15.000 3.440 1.00 0.00 H new ATOM 141 N LEU A 9 -3.320 -12.021 4.872 1.00 0.00 N ATOM 142 CA LEU A 9 -2.640 -10.712 4.693 1.00 0.00 C ATOM 143 C LEU A 9 -2.033 -10.646 3.285 1.00 0.00 C ATOM 144 O LEU A 9 -2.107 -9.636 2.616 1.00 0.00 O ATOM 145 CB LEU A 9 -1.524 -10.572 5.735 1.00 0.00 C ATOM 146 CG LEU A 9 -2.071 -10.857 7.145 1.00 0.00 C ATOM 147 CD1 LEU A 9 -0.919 -10.761 8.151 1.00 0.00 C ATOM 148 CD2 LEU A 9 -3.172 -9.838 7.514 1.00 0.00 C ATOM 0 H LEU A 9 -2.906 -12.633 5.575 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.360 -9.904 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.714 -11.264 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.105 -9.566 5.696 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.505 -11.856 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.295 -10.961 9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.153 -11.494 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.489 -9.760 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.548 -10.054 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.757 -8.830 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.989 -9.909 6.796 1.00 0.00 H new ATOM 160 N GLN A 10 -1.432 -11.716 2.833 1.00 0.00 N ATOM 161 CA GLN A 10 -0.816 -11.710 1.474 1.00 0.00 C ATOM 162 C GLN A 10 -1.904 -11.504 0.418 1.00 0.00 C ATOM 163 O GLN A 10 -1.743 -10.739 -0.513 1.00 0.00 O ATOM 164 CB GLN A 10 -0.117 -13.051 1.233 1.00 0.00 C ATOM 165 CG GLN A 10 0.624 -13.024 -0.106 1.00 0.00 C ATOM 166 CD GLN A 10 1.407 -14.327 -0.284 1.00 0.00 C ATOM 167 OE1 GLN A 10 0.830 -15.396 -0.331 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.707 -14.285 -0.380 1.00 0.00 N ATOM 0 H GLN A 10 -1.341 -12.593 3.346 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.090 -10.900 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.585 -13.255 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.850 -13.858 1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.086 -12.899 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.303 -12.172 -0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.193 -13.389 -0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.238 -15.148 -0.494 1.00 0.00 H new ATOM 177 N ASP A 11 -3.010 -12.178 0.556 1.00 0.00 N ATOM 178 CA ASP A 11 -4.110 -12.018 -0.437 1.00 0.00 C ATOM 179 C ASP A 11 -4.629 -10.579 -0.388 1.00 0.00 C ATOM 180 O ASP A 11 -4.950 -9.991 -1.402 1.00 0.00 O ATOM 181 CB ASP A 11 -5.249 -12.991 -0.104 1.00 0.00 C ATOM 182 CG ASP A 11 -4.815 -14.428 -0.423 1.00 0.00 C ATOM 183 OD1 ASP A 11 -3.829 -14.867 0.142 1.00 0.00 O ATOM 184 OD2 ASP A 11 -5.476 -15.058 -1.232 1.00 0.00 O ATOM 0 H ASP A 11 -3.201 -12.834 1.314 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.735 -12.235 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.515 -12.907 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.139 -12.734 -0.679 1.00 0.00 H new ATOM 189 N MET A 12 -4.723 -10.010 0.786 1.00 0.00 N ATOM 190 CA MET A 12 -5.232 -8.612 0.902 1.00 0.00 C ATOM 191 C MET A 12 -4.303 -7.655 0.141 1.00 0.00 C ATOM 192 O MET A 12 -4.740 -6.904 -0.708 1.00 0.00 O ATOM 193 CB MET A 12 -5.266 -8.224 2.390 1.00 0.00 C ATOM 194 CG MET A 12 -6.001 -6.891 2.585 1.00 0.00 C ATOM 195 SD MET A 12 -7.776 -7.129 2.297 1.00 0.00 S ATOM 196 CE MET A 12 -8.250 -7.547 3.996 1.00 0.00 C ATOM 0 H MET A 12 -4.469 -10.453 1.669 1.00 0.00 H new ATOM 0 HA MET A 12 -6.233 -8.546 0.475 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.763 -9.006 2.964 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.249 -8.144 2.774 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.833 -6.515 3.594 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.607 -6.143 1.897 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.323 -7.734 4.039 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.713 -8.440 4.314 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.000 -6.718 4.658 1.00 0.00 H new ATOM 206 N PHE A 13 -3.028 -7.679 0.433 1.00 0.00 N ATOM 207 CA PHE A 13 -2.082 -6.771 -0.283 1.00 0.00 C ATOM 208 C PHE A 13 -1.923 -7.223 -1.742 1.00 0.00 C ATOM 209 O PHE A 13 -1.864 -6.417 -2.644 1.00 0.00 O ATOM 210 CB PHE A 13 -0.709 -6.797 0.413 1.00 0.00 C ATOM 211 CG PHE A 13 -0.799 -6.100 1.764 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.012 -4.716 1.814 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.669 -6.828 2.958 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.093 -4.062 3.051 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.750 -6.172 4.192 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.964 -4.790 4.238 1.00 0.00 C ATOM 0 H PHE A 13 -2.602 -8.286 1.134 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.482 -5.757 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.379 -7.827 0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.035 -6.303 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.114 -4.153 0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.506 -7.895 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.255 -2.995 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.647 -6.733 5.109 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.030 -4.285 5.191 1.00 0.00 H new ATOM 226 N THR A 14 -1.842 -8.503 -1.977 1.00 0.00 N ATOM 227 CA THR A 14 -1.667 -8.995 -3.377 1.00 0.00 C ATOM 228 C THR A 14 -2.882 -8.594 -4.220 1.00 0.00 C ATOM 229 O THR A 14 -2.749 -8.126 -5.333 1.00 0.00 O ATOM 230 CB THR A 14 -1.541 -10.524 -3.367 1.00 0.00 C ATOM 231 OG1 THR A 14 -0.411 -10.902 -2.595 1.00 0.00 O ATOM 232 CG2 THR A 14 -1.370 -11.053 -4.796 1.00 0.00 C ATOM 0 H THR A 14 -1.889 -9.230 -1.263 1.00 0.00 H new ATOM 0 HA THR A 14 -0.767 -8.554 -3.805 1.00 0.00 H new ATOM 0 HB THR A 14 -2.447 -10.947 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.576 -10.696 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.282 -12.139 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.237 -10.771 -5.394 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.470 -10.625 -5.237 1.00 0.00 H new ATOM 240 N SER A 15 -4.067 -8.785 -3.703 1.00 0.00 N ATOM 241 CA SER A 15 -5.285 -8.428 -4.485 1.00 0.00 C ATOM 242 C SER A 15 -5.276 -6.936 -4.818 1.00 0.00 C ATOM 243 O SER A 15 -5.558 -6.538 -5.931 1.00 0.00 O ATOM 244 CB SER A 15 -6.531 -8.750 -3.658 1.00 0.00 C ATOM 245 OG SER A 15 -6.487 -8.014 -2.443 1.00 0.00 O ATOM 0 H SER A 15 -4.243 -9.172 -2.776 1.00 0.00 H new ATOM 0 HA SER A 15 -5.294 -9.003 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.430 -8.496 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.577 -9.819 -3.449 1.00 0.00 H new ATOM 0 HG SER A 15 -5.852 -8.437 -1.827 1.00 0.00 H new ATOM 251 N ALA A 16 -4.960 -6.106 -3.861 1.00 0.00 N ATOM 252 CA ALA A 16 -4.942 -4.636 -4.123 1.00 0.00 C ATOM 253 C ALA A 16 -3.737 -4.268 -4.990 1.00 0.00 C ATOM 254 O ALA A 16 -3.860 -3.553 -5.959 1.00 0.00 O ATOM 255 CB ALA A 16 -4.849 -3.886 -2.792 1.00 0.00 C ATOM 0 H ALA A 16 -4.714 -6.381 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.857 -4.358 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.836 -2.812 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.711 -4.136 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.934 -4.175 -2.274 1.00 0.00 H new ATOM 261 N ILE A 17 -2.574 -4.741 -4.646 1.00 0.00 N ATOM 262 CA ILE A 17 -1.364 -4.393 -5.446 1.00 0.00 C ATOM 263 C ILE A 17 -1.522 -4.931 -6.871 1.00 0.00 C ATOM 264 O ILE A 17 -1.230 -4.249 -7.831 1.00 0.00 O ATOM 265 CB ILE A 17 -0.132 -5.024 -4.774 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.103 -4.355 -3.404 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.117 -4.831 -5.661 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.098 -5.186 -2.585 1.00 0.00 C ATOM 0 H ILE A 17 -2.406 -5.353 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.240 -3.311 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.309 -6.091 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.487 -3.344 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.841 -4.266 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.982 -5.282 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.954 -5.308 -6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.298 -3.766 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.261 -4.710 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.697 -6.188 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.045 -5.252 -3.121 1.00 0.00 H new ATOM 280 N GLU A 18 -1.972 -6.144 -7.017 1.00 0.00 N ATOM 281 CA GLU A 18 -2.136 -6.722 -8.379 1.00 0.00 C ATOM 282 C GLU A 18 -3.234 -5.966 -9.138 1.00 0.00 C ATOM 283 O GLU A 18 -3.171 -5.812 -10.341 1.00 0.00 O ATOM 284 CB GLU A 18 -2.517 -8.202 -8.247 1.00 0.00 C ATOM 285 CG GLU A 18 -2.542 -8.859 -9.629 1.00 0.00 C ATOM 286 CD GLU A 18 -2.830 -10.358 -9.489 1.00 0.00 C ATOM 287 OE1 GLU A 18 -2.707 -10.868 -8.386 1.00 0.00 O ATOM 288 OE2 GLU A 18 -3.165 -10.971 -10.488 1.00 0.00 O ATOM 0 H GLU A 18 -2.234 -6.763 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.202 -6.630 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.802 -8.715 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.494 -8.294 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.305 -8.390 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.586 -8.709 -10.130 1.00 0.00 H new ATOM 295 N ALA A 19 -4.244 -5.503 -8.448 1.00 0.00 N ATOM 296 CA ALA A 19 -5.347 -4.773 -9.141 1.00 0.00 C ATOM 297 C ALA A 19 -4.845 -3.434 -9.699 1.00 0.00 C ATOM 298 O ALA A 19 -4.919 -3.191 -10.887 1.00 0.00 O ATOM 299 CB ALA A 19 -6.481 -4.505 -8.148 1.00 0.00 C ATOM 0 H ALA A 19 -4.353 -5.598 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.705 -5.388 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.287 -3.972 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.858 -5.452 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.106 -3.900 -7.323 1.00 0.00 H new ATOM 305 N VAL A 20 -4.341 -2.562 -8.852 1.00 0.00 N ATOM 306 CA VAL A 20 -3.838 -1.224 -9.331 1.00 0.00 C ATOM 307 C VAL A 20 -2.318 -1.280 -9.537 1.00 0.00 C ATOM 308 O VAL A 20 -1.632 -0.288 -9.397 1.00 0.00 O ATOM 309 CB VAL A 20 -4.182 -0.130 -8.298 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.692 0.144 -8.317 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.763 -0.582 -6.890 1.00 0.00 C ATOM 0 H VAL A 20 -4.255 -2.717 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.320 -0.985 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.642 0.781 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.931 0.917 -7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.988 0.480 -9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.231 -0.770 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.010 0.197 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.292 -1.499 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.689 -0.766 -6.871 1.00 0.00 H new ATOM 321 N ALA A 21 -1.784 -2.426 -9.877 1.00 0.00 N ATOM 322 CA ALA A 21 -0.312 -2.532 -10.098 1.00 0.00 C ATOM 323 C ALA A 21 0.151 -1.444 -11.079 1.00 0.00 C ATOM 324 O ALA A 21 1.314 -1.099 -11.121 1.00 0.00 O ATOM 325 CB ALA A 21 0.009 -3.914 -10.672 1.00 0.00 C ATOM 0 H ALA A 21 -2.305 -3.293 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 21 0.209 -2.396 -9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.083 -3.999 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.313 -4.683 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.514 -4.045 -11.619 1.00 0.00 H new ATOM 331 N ARG A 22 -0.757 -0.903 -11.862 1.00 0.00 N ATOM 332 CA ARG A 22 -0.384 0.178 -12.830 1.00 0.00 C ATOM 333 C ARG A 22 0.661 -0.360 -13.808 1.00 0.00 C ATOM 334 O ARG A 22 1.626 0.308 -14.118 1.00 0.00 O ATOM 335 CB ARG A 22 0.173 1.378 -12.039 1.00 0.00 C ATOM 336 CG ARG A 22 0.211 2.680 -12.874 1.00 0.00 C ATOM 337 CD ARG A 22 0.790 3.808 -11.956 1.00 0.00 C ATOM 338 NE ARG A 22 0.689 5.237 -12.470 1.00 0.00 N ATOM 339 CZ ARG A 22 -0.380 5.688 -13.094 1.00 0.00 C ATOM 340 NH1 ARG A 22 -0.991 4.983 -13.998 1.00 0.00 N ATOM 341 NH2 ARG A 22 -0.729 6.944 -12.940 1.00 0.00 N ATOM 0 H ARG A 22 -1.743 -1.166 -11.871 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.256 0.501 -13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.439 1.538 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.180 1.144 -11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.832 2.550 -13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.788 2.943 -13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.280 3.757 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.841 3.588 -11.771 1.00 0.00 H new ATOM 0 HE ARG A 22 1.477 5.868 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.645 4.055 -14.241 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.817 5.358 -14.465 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.175 7.558 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.554 7.306 -13.417 1.00 0.00 H new ATOM 355 N ASP A 23 0.467 -1.566 -14.297 1.00 0.00 N ATOM 356 CA ASP A 23 1.428 -2.174 -15.276 1.00 0.00 C ATOM 357 C ASP A 23 2.886 -1.885 -14.877 1.00 0.00 C ATOM 358 O ASP A 23 3.732 -1.654 -15.718 1.00 0.00 O ATOM 359 CB ASP A 23 1.137 -1.604 -16.671 1.00 0.00 C ATOM 360 CG ASP A 23 1.416 -0.096 -16.700 1.00 0.00 C ATOM 361 OD1 ASP A 23 0.556 0.653 -16.271 1.00 0.00 O ATOM 362 OD2 ASP A 23 2.480 0.278 -17.156 1.00 0.00 O ATOM 0 H ASP A 23 -0.326 -2.161 -14.056 1.00 0.00 H new ATOM 0 HA ASP A 23 1.296 -3.256 -15.279 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.755 -2.109 -17.414 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.098 -1.793 -16.939 1.00 0.00 H new ATOM 367 N SER A 24 3.185 -1.897 -13.595 1.00 0.00 N ATOM 368 CA SER A 24 4.592 -1.625 -13.128 1.00 0.00 C ATOM 369 C SER A 24 4.903 -2.503 -11.914 1.00 0.00 C ATOM 370 O SER A 24 5.916 -2.343 -11.260 1.00 0.00 O ATOM 371 CB SER A 24 4.725 -0.154 -12.734 1.00 0.00 C ATOM 372 OG SER A 24 3.782 0.148 -11.712 1.00 0.00 O ATOM 0 H SER A 24 2.515 -2.084 -12.849 1.00 0.00 H new ATOM 0 HA SER A 24 5.291 -1.851 -13.933 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.737 0.050 -12.383 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.554 0.483 -13.602 1.00 0.00 H new ATOM 0 HG SER A 24 3.107 -0.561 -11.670 1.00 0.00 H new ATOM 378 N GLY A 25 4.039 -3.432 -11.608 1.00 0.00 N ATOM 379 CA GLY A 25 4.275 -4.329 -10.437 1.00 0.00 C ATOM 380 C GLY A 25 4.056 -3.552 -9.138 1.00 0.00 C ATOM 381 O GLY A 25 3.439 -4.038 -8.211 1.00 0.00 O ATOM 0 H GLY A 25 3.175 -3.610 -12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.599 -5.183 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.290 -4.724 -10.469 1.00 0.00 H new ATOM 385 N TRP A 26 4.559 -2.348 -9.062 1.00 0.00 N ATOM 386 CA TRP A 26 4.383 -1.534 -7.820 1.00 0.00 C ATOM 387 C TRP A 26 2.951 -1.006 -7.755 1.00 0.00 C ATOM 388 O TRP A 26 2.178 -1.181 -8.673 1.00 0.00 O ATOM 389 CB TRP A 26 5.360 -0.355 -7.848 1.00 0.00 C ATOM 390 CG TRP A 26 6.759 -0.874 -7.759 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.618 -0.992 -8.799 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.469 -1.354 -6.585 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.812 -1.513 -8.333 1.00 0.00 N ATOM 394 CE2 TRP A 26 8.768 -1.754 -6.973 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.112 -1.479 -5.230 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.682 -2.261 -6.049 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.026 -1.990 -4.298 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.310 -2.379 -4.706 1.00 0.00 C ATOM 0 H TRP A 26 5.085 -1.891 -9.807 1.00 0.00 H new ATOM 0 HA TRP A 26 4.580 -2.154 -6.945 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.230 0.219 -8.766 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.157 0.321 -7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.406 -0.724 -9.823 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.625 -1.697 -8.921 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.127 -1.179 -4.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.669 -2.560 -6.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.740 -2.085 -3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.011 -2.770 -3.983 1.00 0.00 H new ATOM 409 N ALA A 27 2.595 -0.356 -6.676 1.00 0.00 N ATOM 410 CA ALA A 27 1.211 0.198 -6.539 1.00 0.00 C ATOM 411 C ALA A 27 1.251 1.385 -5.574 1.00 0.00 C ATOM 412 O ALA A 27 2.012 1.398 -4.627 1.00 0.00 O ATOM 413 CB ALA A 27 0.286 -0.882 -5.977 1.00 0.00 C ATOM 0 H ALA A 27 3.207 -0.184 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 27 0.840 0.521 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.723 -0.481 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.271 -1.736 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.649 -1.200 -5.000 1.00 0.00 H new ATOM 419 N GLU A 28 0.442 2.384 -5.805 1.00 0.00 N ATOM 420 CA GLU A 28 0.442 3.570 -4.899 1.00 0.00 C ATOM 421 C GLU A 28 -0.182 3.185 -3.554 1.00 0.00 C ATOM 422 O GLU A 28 -1.265 2.641 -3.494 1.00 0.00 O ATOM 423 CB GLU A 28 -0.371 4.699 -5.547 1.00 0.00 C ATOM 424 CG GLU A 28 -0.309 5.964 -4.678 1.00 0.00 C ATOM 425 CD GLU A 28 -1.069 7.106 -5.366 1.00 0.00 C ATOM 426 OE1 GLU A 28 -1.793 6.831 -6.309 1.00 0.00 O ATOM 427 OE2 GLU A 28 -0.917 8.235 -4.932 1.00 0.00 O ATOM 0 H GLU A 28 -0.218 2.431 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 28 1.465 3.909 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.019 4.913 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.407 4.385 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.743 5.765 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.729 6.253 -4.514 1.00 0.00 H new ATOM 434 N LEU A 29 0.503 3.448 -2.472 1.00 0.00 N ATOM 435 CA LEU A 29 -0.033 3.083 -1.126 1.00 0.00 C ATOM 436 C LEU A 29 -1.435 3.682 -0.953 1.00 0.00 C ATOM 437 O LEU A 29 -2.334 3.039 -0.448 1.00 0.00 O ATOM 438 CB LEU A 29 0.906 3.661 -0.057 1.00 0.00 C ATOM 439 CG LEU A 29 0.499 3.195 1.360 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.700 1.668 1.527 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.353 3.946 2.398 1.00 0.00 C ATOM 0 H LEU A 29 1.416 3.903 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.094 1.999 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.930 3.351 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.887 4.750 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.558 3.414 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.405 1.370 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.087 1.138 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.749 1.420 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.073 3.624 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.407 3.728 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.184 5.018 2.301 1.00 0.00 H new ATOM 453 N SER A 30 -1.628 4.903 -1.369 1.00 0.00 N ATOM 454 CA SER A 30 -2.975 5.527 -1.232 1.00 0.00 C ATOM 455 C SER A 30 -3.993 4.696 -2.016 1.00 0.00 C ATOM 456 O SER A 30 -5.084 4.434 -1.551 1.00 0.00 O ATOM 457 CB SER A 30 -2.946 6.952 -1.786 1.00 0.00 C ATOM 458 OG SER A 30 -4.225 7.547 -1.612 1.00 0.00 O ATOM 0 H SER A 30 -0.915 5.494 -1.796 1.00 0.00 H new ATOM 0 HA SER A 30 -3.255 5.559 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.185 7.539 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.678 6.939 -2.843 1.00 0.00 H new ATOM 0 HG SER A 30 -4.211 8.461 -1.964 1.00 0.00 H new ATOM 464 N ALA A 31 -3.644 4.277 -3.203 1.00 0.00 N ATOM 465 CA ALA A 31 -4.592 3.466 -4.018 1.00 0.00 C ATOM 466 C ALA A 31 -4.921 2.164 -3.285 1.00 0.00 C ATOM 467 O ALA A 31 -6.033 1.681 -3.336 1.00 0.00 O ATOM 468 CB ALA A 31 -3.956 3.143 -5.373 1.00 0.00 C ATOM 0 H ALA A 31 -2.743 4.462 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.509 4.034 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.650 2.550 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.728 4.070 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.037 2.578 -5.218 1.00 0.00 H new ATOM 474 N VAL A 32 -3.966 1.582 -2.611 1.00 0.00 N ATOM 475 CA VAL A 32 -4.239 0.303 -1.888 1.00 0.00 C ATOM 476 C VAL A 32 -5.312 0.536 -0.818 1.00 0.00 C ATOM 477 O VAL A 32 -6.268 -0.205 -0.712 1.00 0.00 O ATOM 478 CB VAL A 32 -2.940 -0.181 -1.225 1.00 0.00 C ATOM 479 CG1 VAL A 32 -3.204 -1.441 -0.383 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.913 -0.499 -2.316 1.00 0.00 C ATOM 0 H VAL A 32 -3.012 1.934 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.596 -0.451 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.559 0.602 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.274 -1.771 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.935 -1.213 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.591 -2.233 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.987 -0.843 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.305 -1.279 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.715 0.399 -2.902 1.00 0.00 H new ATOM 490 N GLY A 33 -5.153 1.552 -0.019 1.00 0.00 N ATOM 491 CA GLY A 33 -6.157 1.821 1.049 1.00 0.00 C ATOM 492 C GLY A 33 -7.528 2.078 0.418 1.00 0.00 C ATOM 493 O GLY A 33 -8.521 1.501 0.814 1.00 0.00 O ATOM 0 H GLY A 33 -4.373 2.208 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.213 0.972 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.851 2.684 1.640 1.00 0.00 H new ATOM 497 N SER A 34 -7.590 2.942 -0.560 1.00 0.00 N ATOM 498 CA SER A 34 -8.900 3.230 -1.215 1.00 0.00 C ATOM 499 C SER A 34 -9.415 1.976 -1.933 1.00 0.00 C ATOM 500 O SER A 34 -10.585 1.659 -1.882 1.00 0.00 O ATOM 501 CB SER A 34 -8.732 4.363 -2.232 1.00 0.00 C ATOM 502 OG SER A 34 -8.303 5.539 -1.561 1.00 0.00 O ATOM 0 H SER A 34 -6.794 3.459 -0.933 1.00 0.00 H new ATOM 0 HA SER A 34 -9.618 3.528 -0.451 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.005 4.079 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.675 4.548 -2.746 1.00 0.00 H new ATOM 0 HG SER A 34 -8.193 6.265 -2.210 1.00 0.00 H new ATOM 508 N TYR A 35 -8.548 1.267 -2.611 1.00 0.00 N ATOM 509 CA TYR A 35 -8.987 0.042 -3.345 1.00 0.00 C ATOM 510 C TYR A 35 -9.572 -0.967 -2.354 1.00 0.00 C ATOM 511 O TYR A 35 -10.645 -1.500 -2.556 1.00 0.00 O ATOM 512 CB TYR A 35 -7.779 -0.580 -4.054 1.00 0.00 C ATOM 513 CG TYR A 35 -8.194 -1.854 -4.768 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.141 -3.085 -4.099 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.635 -1.800 -6.097 1.00 0.00 C ATOM 516 CE1 TYR A 35 -8.526 -4.259 -4.760 1.00 0.00 C ATOM 517 CE2 TYR A 35 -9.020 -2.974 -6.757 1.00 0.00 C ATOM 518 CZ TYR A 35 -8.964 -4.203 -6.089 1.00 0.00 C ATOM 519 OH TYR A 35 -9.343 -5.359 -6.742 1.00 0.00 O ATOM 0 H TYR A 35 -7.554 1.484 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.747 0.308 -4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.363 0.129 -4.770 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.995 -0.799 -3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.803 -3.128 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.678 -0.852 -6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.485 -5.207 -4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.360 -2.931 -7.781 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.621 -5.142 -7.656 1.00 0.00 H new ATOM 529 N LEU A 36 -8.873 -1.235 -1.287 1.00 0.00 N ATOM 530 CA LEU A 36 -9.390 -2.212 -0.291 1.00 0.00 C ATOM 531 C LEU A 36 -10.690 -1.675 0.305 1.00 0.00 C ATOM 532 O LEU A 36 -11.642 -2.404 0.487 1.00 0.00 O ATOM 533 CB LEU A 36 -8.351 -2.407 0.819 1.00 0.00 C ATOM 534 CG LEU A 36 -7.094 -3.108 0.256 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.979 -3.067 1.313 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.395 -4.581 -0.139 1.00 0.00 C ATOM 0 H LEU A 36 -7.968 -0.821 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.580 -3.170 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.078 -1.442 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.778 -3.002 1.626 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.777 -2.581 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.089 -3.560 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.744 -2.030 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.313 -3.582 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.490 -5.045 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.734 -5.131 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.173 -4.601 -0.902 1.00 0.00 H new ATOM 548 N ALA A 37 -10.741 -0.407 0.605 1.00 0.00 N ATOM 549 CA ALA A 37 -11.989 0.165 1.187 1.00 0.00 C ATOM 550 C ALA A 37 -13.150 -0.065 0.218 1.00 0.00 C ATOM 551 O ALA A 37 -14.219 -0.493 0.603 1.00 0.00 O ATOM 552 CB ALA A 37 -11.808 1.667 1.425 1.00 0.00 C ATOM 0 H ALA A 37 -9.977 0.256 0.474 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.204 -0.324 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.722 2.081 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.981 1.829 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.592 2.162 0.478 1.00 0.00 H new ATOM 558 N LYS A 38 -12.943 0.218 -1.039 1.00 0.00 N ATOM 559 CA LYS A 38 -14.027 0.020 -2.043 1.00 0.00 C ATOM 560 C LYS A 38 -14.367 -1.470 -2.148 1.00 0.00 C ATOM 561 O LYS A 38 -15.519 -1.847 -2.211 1.00 0.00 O ATOM 562 CB LYS A 38 -13.549 0.538 -3.402 1.00 0.00 C ATOM 563 CG LYS A 38 -14.692 0.470 -4.418 1.00 0.00 C ATOM 564 CD LYS A 38 -14.223 1.060 -5.749 1.00 0.00 C ATOM 565 CE LYS A 38 -15.365 1.010 -6.764 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.907 1.605 -8.051 1.00 0.00 N ATOM 0 H LYS A 38 -12.066 0.579 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.918 0.567 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.197 1.565 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.705 -0.057 -3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.009 -0.564 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.556 1.021 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.895 2.090 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.365 0.501 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.683 -0.021 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.228 1.556 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.682 1.572 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.623 2.593 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.096 1.065 -8.414 1.00 0.00 H new ATOM 580 N ASN A 39 -13.372 -2.321 -2.171 1.00 0.00 N ATOM 581 CA ASN A 39 -13.628 -3.793 -2.279 1.00 0.00 C ATOM 582 C ASN A 39 -13.885 -4.371 -0.886 1.00 0.00 C ATOM 583 O ASN A 39 -14.176 -5.540 -0.730 1.00 0.00 O ATOM 584 CB ASN A 39 -12.401 -4.474 -2.890 1.00 0.00 C ATOM 585 CG ASN A 39 -12.220 -3.993 -4.331 1.00 0.00 C ATOM 586 OD1 ASN A 39 -11.208 -3.226 -4.627 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -13.009 -4.315 -5.196 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.387 -2.059 -2.119 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.499 -3.966 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.512 -4.242 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.524 -5.557 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.801 -4.915 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.880 -3.986 -6.153 1.00 0.00 H new ATOM 594 N ASP A 40 -13.786 -3.554 0.126 1.00 0.00 N ATOM 595 CA ASP A 40 -14.027 -4.035 1.517 1.00 0.00 C ATOM 596 C ASP A 40 -14.309 -2.824 2.414 1.00 0.00 C ATOM 597 O ASP A 40 -13.460 -2.406 3.178 1.00 0.00 O ATOM 598 CB ASP A 40 -12.782 -4.778 2.025 1.00 0.00 C ATOM 599 CG ASP A 40 -13.097 -5.475 3.351 1.00 0.00 C ATOM 600 OD1 ASP A 40 -13.767 -6.494 3.317 1.00 0.00 O ATOM 601 OD2 ASP A 40 -12.661 -4.980 4.377 1.00 0.00 O ATOM 0 H ASP A 40 -13.547 -2.566 0.049 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.879 -4.715 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.459 -5.511 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.959 -4.077 2.159 1.00 0.00 H new ATOM 606 N PRO A 41 -15.491 -2.258 2.326 1.00 0.00 N ATOM 607 CA PRO A 41 -15.868 -1.073 3.153 1.00 0.00 C ATOM 608 C PRO A 41 -15.665 -1.356 4.647 1.00 0.00 C ATOM 609 O PRO A 41 -15.432 -0.464 5.439 1.00 0.00 O ATOM 610 CB PRO A 41 -17.364 -0.841 2.818 1.00 0.00 C ATOM 611 CG PRO A 41 -17.557 -1.481 1.470 1.00 0.00 C ATOM 612 CD PRO A 41 -16.591 -2.676 1.436 1.00 0.00 C ATOM 0 HA PRO A 41 -15.255 -0.198 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.013 -1.294 3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.603 0.222 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.588 -1.807 1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.338 -0.777 0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -17.069 -3.589 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.235 -2.875 0.425 1.00 0.00 H new ATOM 620 N SER A 42 -15.756 -2.599 5.027 1.00 0.00 N ATOM 621 CA SER A 42 -15.574 -2.962 6.456 1.00 0.00 C ATOM 622 C SER A 42 -14.126 -2.687 6.870 1.00 0.00 C ATOM 623 O SER A 42 -13.775 -2.758 8.033 1.00 0.00 O ATOM 624 CB SER A 42 -15.897 -4.451 6.639 1.00 0.00 C ATOM 625 OG SER A 42 -17.109 -4.755 5.956 1.00 0.00 O ATOM 0 H SER A 42 -15.950 -3.383 4.404 1.00 0.00 H new ATOM 0 HA SER A 42 -16.241 -2.367 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.083 -5.062 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.994 -4.687 7.699 1.00 0.00 H new ATOM 0 HG SER A 42 -17.318 -5.706 6.069 1.00 0.00 H new ATOM 631 N PHE A 43 -13.284 -2.363 5.924 1.00 0.00 N ATOM 632 CA PHE A 43 -11.860 -2.077 6.254 1.00 0.00 C ATOM 633 C PHE A 43 -11.777 -0.763 7.037 1.00 0.00 C ATOM 634 O PHE A 43 -12.399 0.221 6.682 1.00 0.00 O ATOM 635 CB PHE A 43 -11.043 -1.968 4.966 1.00 0.00 C ATOM 636 CG PHE A 43 -9.574 -1.817 5.318 1.00 0.00 C ATOM 637 CD1 PHE A 43 -8.889 -2.896 5.887 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.907 -0.605 5.093 1.00 0.00 C ATOM 639 CE1 PHE A 43 -7.537 -2.767 6.226 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.555 -0.476 5.435 1.00 0.00 C ATOM 641 CZ PHE A 43 -6.870 -1.557 6.003 1.00 0.00 C ATOM 0 H PHE A 43 -13.523 -2.284 4.936 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.456 -2.887 6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.192 -2.855 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.379 -1.113 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.403 -3.829 6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.436 0.229 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.008 -3.602 6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.041 0.458 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.828 -1.457 6.269 1.00 0.00 H new ATOM 651 N ASP A 44 -11.017 -0.752 8.105 1.00 0.00 N ATOM 652 CA ASP A 44 -10.870 0.477 8.959 1.00 0.00 C ATOM 653 C ASP A 44 -9.399 0.946 8.954 1.00 0.00 C ATOM 654 O ASP A 44 -8.623 0.523 9.785 1.00 0.00 O ATOM 655 CB ASP A 44 -11.260 0.107 10.396 1.00 0.00 C ATOM 656 CG ASP A 44 -12.757 -0.205 10.469 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.539 0.636 10.057 1.00 0.00 O ATOM 658 OD2 ASP A 44 -13.096 -1.276 10.945 1.00 0.00 O ATOM 0 H ASP A 44 -10.481 -1.557 8.430 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.505 1.274 8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.684 -0.757 10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.018 0.929 11.070 1.00 0.00 H new ATOM 663 N PRO A 45 -9.009 1.822 8.044 1.00 0.00 N ATOM 664 CA PRO A 45 -7.599 2.336 7.982 1.00 0.00 C ATOM 665 C PRO A 45 -7.198 3.004 9.304 1.00 0.00 C ATOM 666 O PRO A 45 -6.035 3.208 9.599 1.00 0.00 O ATOM 667 CB PRO A 45 -7.620 3.380 6.834 1.00 0.00 C ATOM 668 CG PRO A 45 -8.828 3.033 6.010 1.00 0.00 C ATOM 669 CD PRO A 45 -9.846 2.410 6.983 1.00 0.00 C ATOM 0 HA PRO A 45 -6.878 1.537 7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.688 4.395 7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.709 3.329 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.240 3.921 5.531 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.570 2.333 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.528 3.161 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.457 1.653 6.491 1.00 0.00 H new ATOM 677 N ARG A 46 -8.173 3.335 10.093 1.00 0.00 N ATOM 678 CA ARG A 46 -7.907 3.989 11.399 1.00 0.00 C ATOM 679 C ARG A 46 -7.130 3.027 12.294 1.00 0.00 C ATOM 680 O ARG A 46 -6.279 3.422 13.066 1.00 0.00 O ATOM 681 CB ARG A 46 -9.245 4.333 12.042 1.00 0.00 C ATOM 682 CG ARG A 46 -9.932 5.467 11.263 1.00 0.00 C ATOM 683 CD ARG A 46 -11.342 5.678 11.832 1.00 0.00 C ATOM 684 NE ARG A 46 -11.866 7.039 11.466 1.00 0.00 N ATOM 685 CZ ARG A 46 -13.167 7.257 11.420 1.00 0.00 C ATOM 686 NH1 ARG A 46 -13.999 6.249 11.430 1.00 0.00 N ATOM 687 NH2 ARG A 46 -13.641 8.474 11.346 1.00 0.00 N ATOM 0 H ARG A 46 -9.159 3.178 9.886 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.319 4.896 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.887 3.452 12.058 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.092 4.634 13.078 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.351 6.386 11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.987 5.217 10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.013 4.909 11.448 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.322 5.571 12.916 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.215 7.795 11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.643 5.294 11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.004 6.417 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.003 9.269 11.323 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.649 8.628 11.311 1.00 0.00 H new ATOM 701 N ASN A 47 -7.424 1.759 12.195 1.00 0.00 N ATOM 702 CA ASN A 47 -6.717 0.757 13.039 1.00 0.00 C ATOM 703 C ASN A 47 -5.226 0.798 12.708 1.00 0.00 C ATOM 704 O ASN A 47 -4.382 0.634 13.566 1.00 0.00 O ATOM 705 CB ASN A 47 -7.265 -0.648 12.753 1.00 0.00 C ATOM 706 CG ASN A 47 -8.708 -0.762 13.259 1.00 0.00 C ATOM 707 OD1 ASN A 47 -9.501 -1.494 12.695 1.00 0.00 O ATOM 708 ND2 ASN A 47 -9.087 -0.080 14.304 1.00 0.00 N ATOM 0 H ASN A 47 -8.126 1.374 11.563 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.873 0.991 14.092 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.229 -0.850 11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.640 -1.397 13.240 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.045 -0.161 14.646 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.426 0.534 14.779 1.00 0.00 H new ATOM 715 N TRP A 48 -4.897 1.016 11.461 1.00 0.00 N ATOM 716 CA TRP A 48 -3.461 1.070 11.055 1.00 0.00 C ATOM 717 C TRP A 48 -2.877 2.429 11.451 1.00 0.00 C ATOM 718 O TRP A 48 -1.733 2.729 11.175 1.00 0.00 O ATOM 719 CB TRP A 48 -3.369 0.894 9.539 1.00 0.00 C ATOM 720 CG TRP A 48 -3.987 -0.414 9.156 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.316 -0.668 9.150 1.00 0.00 C ATOM 722 CD2 TRP A 48 -3.333 -1.640 8.718 1.00 0.00 C ATOM 723 NE1 TRP A 48 -5.519 -1.973 8.744 1.00 0.00 N ATOM 724 CE2 TRP A 48 -4.329 -2.613 8.464 1.00 0.00 C ATOM 725 CE3 TRP A 48 -1.991 -2.002 8.519 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.003 -3.898 8.028 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -1.658 -3.294 8.080 1.00 0.00 C ATOM 728 CH2 TRP A 48 -2.663 -4.239 7.834 1.00 0.00 C ATOM 0 H TRP A 48 -5.564 1.160 10.703 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.901 0.277 11.551 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.881 1.713 9.034 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.327 0.925 9.220 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.091 0.034 9.419 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.437 -2.410 8.661 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.209 -1.281 8.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.781 -4.623 7.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.622 -3.560 7.931 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.401 -5.230 7.495 1.00 0.00 H new ATOM 739 N GLY A 49 -3.655 3.244 12.107 1.00 0.00 N ATOM 740 CA GLY A 49 -3.155 4.583 12.538 1.00 0.00 C ATOM 741 C GLY A 49 -2.975 5.494 11.319 1.00 0.00 C ATOM 742 O GLY A 49 -2.603 6.641 11.449 1.00 0.00 O ATOM 0 H GLY A 49 -4.621 3.041 12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.858 5.034 13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.206 4.474 13.064 1.00 0.00 H new ATOM 746 N HIS A 50 -3.237 4.981 10.140 1.00 0.00 N ATOM 747 CA HIS A 50 -3.087 5.794 8.889 1.00 0.00 C ATOM 748 C HIS A 50 -1.643 6.287 8.757 1.00 0.00 C ATOM 749 O HIS A 50 -0.952 6.487 9.733 1.00 0.00 O ATOM 750 CB HIS A 50 -4.043 6.994 8.915 1.00 0.00 C ATOM 751 CG HIS A 50 -4.031 7.676 7.573 1.00 0.00 C ATOM 752 ND1 HIS A 50 -4.675 7.142 6.469 1.00 0.00 N ATOM 753 CD2 HIS A 50 -3.449 8.841 7.143 1.00 0.00 C ATOM 754 CE1 HIS A 50 -4.467 7.978 5.435 1.00 0.00 C ATOM 755 NE2 HIS A 50 -3.725 9.031 5.792 1.00 0.00 N ATOM 0 H HIS A 50 -3.552 4.023 9.989 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.333 5.166 8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.053 6.663 9.157 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.742 7.695 9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.865 9.509 7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.852 7.818 4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.425 9.807 5.201 1.00 0.00 H new ATOM 763 N GLY A 51 -1.179 6.482 7.550 1.00 0.00 N ATOM 764 CA GLY A 51 0.222 6.956 7.353 1.00 0.00 C ATOM 765 C GLY A 51 1.190 5.842 7.760 1.00 0.00 C ATOM 766 O GLY A 51 1.917 5.303 6.944 1.00 0.00 O ATOM 0 H GLY A 51 -1.710 6.333 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.383 7.231 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.404 7.849 7.950 1.00 0.00 H new ATOM 770 N ARG A 52 1.199 5.497 9.022 1.00 0.00 N ATOM 771 CA ARG A 52 2.111 4.423 9.516 1.00 0.00 C ATOM 772 C ARG A 52 1.814 3.109 8.789 1.00 0.00 C ATOM 773 O ARG A 52 2.425 2.095 9.054 1.00 0.00 O ATOM 774 CB ARG A 52 1.918 4.241 11.035 1.00 0.00 C ATOM 775 CG ARG A 52 2.260 5.556 11.747 1.00 0.00 C ATOM 776 CD ARG A 52 2.293 5.377 13.279 1.00 0.00 C ATOM 777 NE ARG A 52 0.945 5.069 13.874 1.00 0.00 N ATOM 778 CZ ARG A 52 0.010 5.993 13.969 1.00 0.00 C ATOM 779 NH1 ARG A 52 0.062 7.091 13.258 1.00 0.00 N ATOM 780 NH2 ARG A 52 -0.998 5.809 14.780 1.00 0.00 N ATOM 0 H ARG A 52 0.607 5.918 9.738 1.00 0.00 H new ATOM 0 HA ARG A 52 3.144 4.709 9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.889 3.953 11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.557 3.438 11.401 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.228 5.917 11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.524 6.316 11.484 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.985 4.572 13.529 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.684 6.286 13.735 1.00 0.00 H new ATOM 0 HE ARG A 52 0.751 4.126 14.211 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.838 7.245 12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.673 7.792 13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.057 4.955 15.334 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.725 6.520 14.859 1.00 0.00 H new ATOM 794 N LEU A 53 0.898 3.118 7.859 1.00 0.00 N ATOM 795 CA LEU A 53 0.580 1.875 7.111 1.00 0.00 C ATOM 796 C LEU A 53 1.858 1.371 6.442 1.00 0.00 C ATOM 797 O LEU A 53 2.143 0.192 6.434 1.00 0.00 O ATOM 798 CB LEU A 53 -0.480 2.207 6.052 1.00 0.00 C ATOM 799 CG LEU A 53 -0.831 0.979 5.192 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.357 -0.178 6.064 1.00 0.00 C ATOM 801 CD2 LEU A 53 -1.906 1.398 4.181 1.00 0.00 C ATOM 0 H LEU A 53 0.356 3.938 7.586 1.00 0.00 H new ATOM 0 HA LEU A 53 0.196 1.103 7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.380 2.577 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.114 3.008 5.410 1.00 0.00 H new ATOM 0 HG LEU A 53 0.065 0.627 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.597 -1.032 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.593 -0.466 6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.254 0.144 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.173 0.544 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.790 1.748 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.520 2.200 3.551 1.00 0.00 H new ATOM 813 N SER A 54 2.639 2.264 5.898 1.00 0.00 N ATOM 814 CA SER A 54 3.911 1.845 5.249 1.00 0.00 C ATOM 815 C SER A 54 4.806 1.173 6.296 1.00 0.00 C ATOM 816 O SER A 54 5.438 0.172 6.039 1.00 0.00 O ATOM 817 CB SER A 54 4.626 3.070 4.680 1.00 0.00 C ATOM 818 OG SER A 54 5.819 2.655 4.026 1.00 0.00 O ATOM 0 H SER A 54 2.450 3.266 5.876 1.00 0.00 H new ATOM 0 HA SER A 54 3.697 1.147 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.975 3.592 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.861 3.772 5.480 1.00 0.00 H new ATOM 0 HG SER A 54 6.471 3.386 4.040 1.00 0.00 H new ATOM 824 N GLN A 55 4.869 1.720 7.481 1.00 0.00 N ATOM 825 CA GLN A 55 5.725 1.111 8.543 1.00 0.00 C ATOM 826 C GLN A 55 5.092 -0.201 9.033 1.00 0.00 C ATOM 827 O GLN A 55 5.778 -1.111 9.454 1.00 0.00 O ATOM 828 CB GLN A 55 5.859 2.090 9.717 1.00 0.00 C ATOM 829 CG GLN A 55 6.464 3.410 9.223 1.00 0.00 C ATOM 830 CD GLN A 55 7.900 3.181 8.744 1.00 0.00 C ATOM 831 OE1 GLN A 55 8.717 2.645 9.467 1.00 0.00 O ATOM 832 NE2 GLN A 55 8.243 3.565 7.546 1.00 0.00 N ATOM 0 H GLN A 55 4.365 2.562 7.760 1.00 0.00 H new ATOM 0 HA GLN A 55 6.712 0.900 8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.882 2.272 10.165 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.490 1.658 10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.861 3.814 8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.453 4.148 10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.558 4.015 6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.196 3.416 7.216 1.00 0.00 H new ATOM 841 N MET A 56 3.789 -0.305 8.995 1.00 0.00 N ATOM 842 CA MET A 56 3.125 -1.557 9.473 1.00 0.00 C ATOM 843 C MET A 56 3.555 -2.736 8.589 1.00 0.00 C ATOM 844 O MET A 56 3.851 -3.809 9.072 1.00 0.00 O ATOM 845 CB MET A 56 1.595 -1.372 9.401 1.00 0.00 C ATOM 846 CG MET A 56 1.116 -0.461 10.542 1.00 0.00 C ATOM 847 SD MET A 56 1.244 -1.341 12.121 1.00 0.00 S ATOM 848 CE MET A 56 -0.408 -2.086 12.115 1.00 0.00 C ATOM 0 H MET A 56 3.157 0.420 8.655 1.00 0.00 H new ATOM 0 HA MET A 56 3.417 -1.763 10.503 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.319 -0.939 8.440 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.101 -2.341 9.468 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.717 0.448 10.571 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.084 -0.155 10.368 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.541 -2.683 13.017 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.162 -1.299 12.085 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.516 -2.725 11.239 1.00 0.00 H new ATOM 858 N VAL A 57 3.599 -2.542 7.296 1.00 0.00 N ATOM 859 CA VAL A 57 4.018 -3.649 6.382 1.00 0.00 C ATOM 860 C VAL A 57 5.531 -3.868 6.494 1.00 0.00 C ATOM 861 O VAL A 57 6.042 -4.926 6.185 1.00 0.00 O ATOM 862 CB VAL A 57 3.644 -3.292 4.937 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.119 -3.296 4.784 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.178 -1.900 4.589 1.00 0.00 C ATOM 0 H VAL A 57 3.363 -1.665 6.833 1.00 0.00 H new ATOM 0 HA VAL A 57 3.505 -4.568 6.667 1.00 0.00 H new ATOM 0 HB VAL A 57 4.084 -4.029 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.856 -3.042 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.732 -4.286 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.683 -2.562 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.909 -1.653 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.743 -1.164 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.263 -1.890 4.692 1.00 0.00 H new ATOM 874 N LYS A 58 6.248 -2.868 6.928 1.00 0.00 N ATOM 875 CA LYS A 58 7.729 -2.996 7.054 1.00 0.00 C ATOM 876 C LYS A 58 8.078 -4.099 8.064 1.00 0.00 C ATOM 877 O LYS A 58 9.015 -4.849 7.866 1.00 0.00 O ATOM 878 CB LYS A 58 8.310 -1.661 7.535 1.00 0.00 C ATOM 879 CG LYS A 58 9.841 -1.718 7.522 1.00 0.00 C ATOM 880 CD LYS A 58 10.404 -0.364 7.957 1.00 0.00 C ATOM 881 CE LYS A 58 11.931 -0.421 7.930 1.00 0.00 C ATOM 882 NZ LYS A 58 12.387 -0.653 6.532 1.00 0.00 N ATOM 0 H LYS A 58 5.870 -1.962 7.203 1.00 0.00 H new ATOM 0 HA LYS A 58 8.152 -3.257 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.963 -0.852 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.955 -1.443 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.192 -2.503 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.198 -1.969 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.046 0.422 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.055 -0.117 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.349 0.511 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.289 -1.220 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.371 -0.331 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.330 -1.668 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.779 -0.122 5.876 1.00 0.00 H new ATOM 896 N LYS A 59 7.336 -4.201 9.145 1.00 0.00 N ATOM 897 CA LYS A 59 7.618 -5.256 10.180 1.00 0.00 C ATOM 898 C LYS A 59 6.688 -6.458 9.971 1.00 0.00 C ATOM 899 O LYS A 59 5.960 -6.853 10.860 1.00 0.00 O ATOM 900 CB LYS A 59 7.397 -4.664 11.582 1.00 0.00 C ATOM 901 CG LYS A 59 6.090 -3.868 11.607 1.00 0.00 C ATOM 902 CD LYS A 59 5.782 -3.443 13.047 1.00 0.00 C ATOM 903 CE LYS A 59 4.497 -2.608 13.083 1.00 0.00 C ATOM 904 NZ LYS A 59 4.757 -1.266 12.487 1.00 0.00 N ATOM 0 H LYS A 59 6.543 -3.596 9.357 1.00 0.00 H new ATOM 0 HA LYS A 59 8.651 -5.590 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.362 -5.463 12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.233 -4.018 11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.174 -2.990 10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.274 -4.474 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.671 -4.324 13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.613 -2.864 13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.706 -3.115 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.150 -2.500 14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.864 -0.738 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.424 -0.742 13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.165 -1.381 11.537 1.00 0.00 H new ATOM 918 N LEU A 60 6.713 -7.040 8.799 1.00 0.00 N ATOM 919 CA LEU A 60 5.844 -8.231 8.507 1.00 0.00 C ATOM 920 C LEU A 60 6.597 -9.169 7.545 1.00 0.00 C ATOM 921 O LEU A 60 6.147 -10.253 7.260 1.00 0.00 O ATOM 922 CB LEU A 60 4.502 -7.752 7.871 1.00 0.00 C ATOM 923 CG LEU A 60 3.352 -7.731 8.918 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.229 -6.796 8.441 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.775 -9.152 9.094 1.00 0.00 C ATOM 0 H LEU A 60 7.302 -6.741 8.022 1.00 0.00 H new ATOM 0 HA LEU A 60 5.617 -8.769 9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.632 -6.754 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.233 -8.412 7.046 1.00 0.00 H new ATOM 0 HG LEU A 60 3.751 -7.375 9.868 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.426 -6.786 9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.623 -5.787 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.840 -7.152 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.970 -9.129 9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.386 -9.507 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.561 -9.824 9.438 1.00 0.00 H new ATOM 937 N ASP A 61 7.740 -8.755 7.055 1.00 0.00 N ATOM 938 CA ASP A 61 8.535 -9.607 6.114 1.00 0.00 C ATOM 939 C ASP A 61 7.734 -9.858 4.819 1.00 0.00 C ATOM 940 O ASP A 61 6.680 -9.290 4.613 1.00 0.00 O ATOM 941 CB ASP A 61 8.899 -10.948 6.786 1.00 0.00 C ATOM 942 CG ASP A 61 10.011 -11.642 5.991 1.00 0.00 C ATOM 943 OD1 ASP A 61 11.096 -11.091 5.923 1.00 0.00 O ATOM 944 OD2 ASP A 61 9.757 -12.715 5.469 1.00 0.00 O ATOM 0 H ASP A 61 8.162 -7.851 7.270 1.00 0.00 H new ATOM 0 HA ASP A 61 9.457 -9.083 5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.226 -10.775 7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.020 -11.591 6.836 1.00 0.00 H new ATOM 949 N PHE A 62 8.257 -10.691 3.943 1.00 0.00 N ATOM 950 CA PHE A 62 7.585 -11.006 2.627 1.00 0.00 C ATOM 951 C PHE A 62 6.979 -9.735 2.001 1.00 0.00 C ATOM 952 O PHE A 62 6.117 -9.801 1.153 1.00 0.00 O ATOM 953 CB PHE A 62 6.487 -12.084 2.818 1.00 0.00 C ATOM 954 CG PHE A 62 5.252 -11.507 3.495 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.174 -11.462 4.891 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.182 -11.024 2.721 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.033 -10.929 5.512 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.049 -10.495 3.343 1.00 0.00 C ATOM 959 CZ PHE A 62 2.974 -10.445 4.736 1.00 0.00 C ATOM 0 H PHE A 62 9.142 -11.178 4.086 1.00 0.00 H new ATOM 0 HA PHE A 62 8.343 -11.396 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.211 -12.500 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.882 -12.905 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.990 -11.837 5.490 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.236 -11.062 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.973 -10.893 6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.230 -10.124 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.098 -10.033 5.215 1.00 0.00 H new ATOM 969 N LEU A 63 7.439 -8.581 2.412 1.00 0.00 N ATOM 970 CA LEU A 63 6.901 -7.283 1.868 1.00 0.00 C ATOM 971 C LEU A 63 8.049 -6.281 1.709 1.00 0.00 C ATOM 972 O LEU A 63 8.837 -6.074 2.609 1.00 0.00 O ATOM 973 CB LEU A 63 5.831 -6.721 2.852 1.00 0.00 C ATOM 974 CG LEU A 63 4.437 -7.375 2.606 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.593 -7.341 3.891 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.680 -6.604 1.504 1.00 0.00 C ATOM 0 H LEU A 63 8.174 -8.475 3.111 1.00 0.00 H new ATOM 0 HA LEU A 63 6.441 -7.451 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.146 -6.906 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.755 -5.640 2.731 1.00 0.00 H new ATOM 0 HG LEU A 63 4.597 -8.409 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.623 -7.801 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.108 -7.890 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.449 -6.307 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.707 -7.067 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.540 -5.569 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.257 -6.631 0.579 1.00 0.00 H new ATOM 988 N THR A 64 8.126 -5.650 0.562 1.00 0.00 N ATOM 989 CA THR A 64 9.199 -4.633 0.296 1.00 0.00 C ATOM 990 C THR A 64 8.585 -3.241 0.457 1.00 0.00 C ATOM 991 O THR A 64 7.501 -2.983 -0.029 1.00 0.00 O ATOM 992 CB THR A 64 9.709 -4.805 -1.141 1.00 0.00 C ATOM 993 OG1 THR A 64 10.262 -6.104 -1.295 1.00 0.00 O ATOM 994 CG2 THR A 64 10.786 -3.758 -1.454 1.00 0.00 C ATOM 0 H THR A 64 7.482 -5.797 -0.215 1.00 0.00 H new ATOM 0 HA THR A 64 10.030 -4.761 0.990 1.00 0.00 H new ATOM 0 HB THR A 64 8.873 -4.673 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.103 -6.626 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.138 -3.893 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.365 -2.759 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.621 -3.878 -0.764 1.00 0.00 H new ATOM 1002 N VAL A 65 9.263 -2.349 1.145 1.00 0.00 N ATOM 1003 CA VAL A 65 8.731 -0.957 1.362 1.00 0.00 C ATOM 1004 C VAL A 65 9.663 0.052 0.698 1.00 0.00 C ATOM 1005 O VAL A 65 10.865 0.002 0.870 1.00 0.00 O ATOM 1006 CB VAL A 65 8.674 -0.677 2.867 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.117 0.732 3.117 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.770 -1.715 3.537 1.00 0.00 C ATOM 0 H VAL A 65 10.173 -2.526 1.571 1.00 0.00 H new ATOM 0 HA VAL A 65 7.735 -0.871 0.929 1.00 0.00 H new ATOM 0 HB VAL A 65 9.678 -0.739 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.080 0.923 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.763 1.469 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.113 0.805 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.725 -1.521 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.767 -1.651 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.173 -2.713 3.365 1.00 0.00 H new ATOM 1018 N GLN A 66 9.113 0.970 -0.058 1.00 0.00 N ATOM 1019 CA GLN A 66 9.948 2.010 -0.742 1.00 0.00 C ATOM 1020 C GLN A 66 9.246 3.356 -0.615 1.00 0.00 C ATOM 1021 O GLN A 66 8.034 3.433 -0.553 1.00 0.00 O ATOM 1022 CB GLN A 66 10.113 1.651 -2.224 1.00 0.00 C ATOM 1023 CG GLN A 66 10.982 0.396 -2.351 1.00 0.00 C ATOM 1024 CD GLN A 66 11.136 0.022 -3.829 1.00 0.00 C ATOM 1025 OE1 GLN A 66 10.665 0.727 -4.699 1.00 0.00 O ATOM 1026 NE2 GLN A 66 11.783 -1.065 -4.155 1.00 0.00 N ATOM 0 H GLN A 66 8.111 1.045 -0.233 1.00 0.00 H new ATOM 0 HA GLN A 66 10.934 2.058 -0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.137 1.478 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.573 2.481 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.961 0.574 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.528 -0.429 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.180 -1.660 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.891 -1.319 -5.137 1.00 0.00 H new ATOM 1035 N GLU A 67 10.006 4.417 -0.573 1.00 0.00 N ATOM 1036 CA GLU A 67 9.417 5.786 -0.449 1.00 0.00 C ATOM 1037 C GLU A 67 10.197 6.735 -1.338 1.00 0.00 C ATOM 1038 O GLU A 67 11.412 6.711 -1.381 1.00 0.00 O ATOM 1039 CB GLU A 67 9.489 6.260 1.013 1.00 0.00 C ATOM 1040 CG GLU A 67 8.493 5.461 1.865 1.00 0.00 C ATOM 1041 CD GLU A 67 8.594 5.888 3.337 1.00 0.00 C ATOM 1042 OE1 GLU A 67 9.380 6.773 3.629 1.00 0.00 O ATOM 1043 OE2 GLU A 67 7.882 5.314 4.144 1.00 0.00 O ATOM 0 H GLU A 67 11.025 4.395 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 67 8.372 5.766 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.500 6.128 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.261 7.324 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.479 5.623 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.698 4.394 1.773 1.00 0.00 H new ATOM 1050 N SER A 68 9.495 7.573 -2.048 1.00 0.00 N ATOM 1051 CA SER A 68 10.148 8.566 -2.947 1.00 0.00 C ATOM 1052 C SER A 68 9.495 9.908 -2.692 1.00 0.00 C ATOM 1053 O SER A 68 8.353 9.985 -2.280 1.00 0.00 O ATOM 1054 CB SER A 68 9.945 8.166 -4.414 1.00 0.00 C ATOM 1055 OG SER A 68 8.559 7.988 -4.660 1.00 0.00 O ATOM 0 H SER A 68 8.476 7.612 -2.043 1.00 0.00 H new ATOM 0 HA SER A 68 11.219 8.610 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.348 8.935 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.487 7.245 -4.631 1.00 0.00 H new ATOM 0 HG SER A 68 8.423 7.734 -5.597 1.00 0.00 H new ATOM 1061 N ARG A 69 10.214 10.959 -2.917 1.00 0.00 N ATOM 1062 CA ARG A 69 9.663 12.321 -2.686 1.00 0.00 C ATOM 1063 C ARG A 69 8.973 12.815 -3.968 1.00 0.00 C ATOM 1064 O ARG A 69 9.542 12.761 -5.039 1.00 0.00 O ATOM 1065 CB ARG A 69 10.817 13.272 -2.357 1.00 0.00 C ATOM 1066 CG ARG A 69 11.440 12.967 -0.976 1.00 0.00 C ATOM 1067 CD ARG A 69 12.672 13.917 -0.798 1.00 0.00 C ATOM 1068 NE ARG A 69 13.232 14.051 0.603 1.00 0.00 N ATOM 1069 CZ ARG A 69 12.451 14.057 1.650 1.00 0.00 C ATOM 1070 NH1 ARG A 69 11.539 13.140 1.828 1.00 0.00 N ATOM 1071 NH2 ARG A 69 12.715 14.892 2.631 1.00 0.00 N ATOM 0 H ARG A 69 11.176 10.938 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 69 8.947 12.293 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.584 13.192 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.456 14.300 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.712 13.130 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.748 11.923 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.470 13.565 -1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.389 14.910 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 69 14.240 14.138 0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.423 12.396 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.942 13.168 2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.517 15.519 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.118 14.913 3.458 1.00 0.00 H new ATOM 1085 N ASN A 70 7.758 13.310 -3.870 1.00 0.00 N ATOM 1086 CA ASN A 70 7.039 13.823 -5.087 1.00 0.00 C ATOM 1087 C ASN A 70 6.073 14.948 -4.680 1.00 0.00 C ATOM 1088 O ASN A 70 5.112 14.730 -3.968 1.00 0.00 O ATOM 1089 CB ASN A 70 6.241 12.683 -5.725 1.00 0.00 C ATOM 1090 CG ASN A 70 5.283 12.105 -4.685 1.00 0.00 C ATOM 1091 OD1 ASN A 70 5.716 11.604 -3.667 1.00 0.00 O ATOM 1092 ND2 ASN A 70 3.999 12.158 -4.893 1.00 0.00 N ATOM 0 H ASN A 70 7.232 13.381 -2.999 1.00 0.00 H new ATOM 0 HA ASN A 70 7.768 14.208 -5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.684 13.050 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.916 11.908 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.354 11.778 -4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.638 12.579 -5.749 1.00 0.00 H new ATOM 1099 N GLY A 71 6.317 16.154 -5.127 1.00 0.00 N ATOM 1100 CA GLY A 71 5.409 17.284 -4.762 1.00 0.00 C ATOM 1101 C GLY A 71 5.500 17.565 -3.261 1.00 0.00 C ATOM 1102 O GLY A 71 6.570 17.587 -2.687 1.00 0.00 O ATOM 0 H GLY A 71 7.103 16.405 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.682 18.177 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.382 17.038 -5.033 1.00 0.00 H new ATOM 1106 N SER A 72 4.379 17.791 -2.621 1.00 0.00 N ATOM 1107 CA SER A 72 4.380 18.084 -1.153 1.00 0.00 C ATOM 1108 C SER A 72 4.171 16.794 -0.355 1.00 0.00 C ATOM 1109 O SER A 72 4.153 16.815 0.858 1.00 0.00 O ATOM 1110 CB SER A 72 3.244 19.056 -0.834 1.00 0.00 C ATOM 1111 OG SER A 72 1.998 18.419 -1.089 1.00 0.00 O ATOM 0 H SER A 72 3.456 17.785 -3.056 1.00 0.00 H new ATOM 0 HA SER A 72 5.340 18.523 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.299 19.369 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.337 19.956 -1.442 1.00 0.00 H new ATOM 0 HG SER A 72 1.266 19.038 -0.884 1.00 0.00 H new ATOM 1117 N LYS A 73 4.008 15.671 -1.024 1.00 0.00 N ATOM 1118 CA LYS A 73 3.794 14.369 -0.299 1.00 0.00 C ATOM 1119 C LYS A 73 4.668 13.284 -0.922 1.00 0.00 C ATOM 1120 O LYS A 73 4.802 13.196 -2.122 1.00 0.00 O ATOM 1121 CB LYS A 73 2.321 13.963 -0.424 1.00 0.00 C ATOM 1122 CG LYS A 73 1.449 14.952 0.352 1.00 0.00 C ATOM 1123 CD LYS A 73 -0.024 14.558 0.216 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.897 15.576 0.957 1.00 0.00 C ATOM 1125 NZ LYS A 73 -0.632 15.477 2.418 1.00 0.00 N ATOM 0 H LYS A 73 4.014 15.600 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 73 4.060 14.489 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.025 13.947 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.177 12.954 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.738 14.959 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.602 15.962 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.305 14.520 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.184 13.560 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.680 16.584 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.951 15.386 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.410 15.924 2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.561 14.476 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.260 15.961 2.643 1.00 0.00 H new ATOM 1139 N LEU A 74 5.258 12.446 -0.111 1.00 0.00 N ATOM 1140 CA LEU A 74 6.116 11.357 -0.659 1.00 0.00 C ATOM 1141 C LEU A 74 5.225 10.264 -1.237 1.00 0.00 C ATOM 1142 O LEU A 74 4.113 10.060 -0.792 1.00 0.00 O ATOM 1143 CB LEU A 74 6.999 10.781 0.466 1.00 0.00 C ATOM 1144 CG LEU A 74 6.130 10.100 1.581 1.00 0.00 C ATOM 1145 CD1 LEU A 74 6.113 8.570 1.401 1.00 0.00 C ATOM 1146 CD2 LEU A 74 6.709 10.415 2.978 1.00 0.00 C ATOM 0 H LEU A 74 5.182 12.469 0.906 1.00 0.00 H new ATOM 0 HA LEU A 74 6.759 11.752 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.694 10.053 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.598 11.579 0.905 1.00 0.00 H new ATOM 0 HG LEU A 74 5.117 10.492 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.505 8.118 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.691 8.323 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.131 8.185 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.096 9.936 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.730 10.038 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.710 11.493 3.137 1.00 0.00 H new ATOM 1158 N HIS A 75 5.710 9.556 -2.229 1.00 0.00 N ATOM 1159 CA HIS A 75 4.904 8.459 -2.861 1.00 0.00 C ATOM 1160 C HIS A 75 5.372 7.116 -2.302 1.00 0.00 C ATOM 1161 O HIS A 75 6.393 6.584 -2.699 1.00 0.00 O ATOM 1162 CB HIS A 75 5.127 8.481 -4.379 1.00 0.00 C ATOM 1163 CG HIS A 75 4.310 7.399 -5.038 1.00 0.00 C ATOM 1164 ND1 HIS A 75 4.417 7.117 -6.392 1.00 0.00 N ATOM 1165 CD2 HIS A 75 3.379 6.521 -4.544 1.00 0.00 C ATOM 1166 CE1 HIS A 75 3.572 6.105 -6.662 1.00 0.00 C ATOM 1167 NE2 HIS A 75 2.914 5.704 -5.570 1.00 0.00 N ATOM 0 H HIS A 75 6.637 9.691 -2.632 1.00 0.00 H new ATOM 0 HA HIS A 75 3.845 8.602 -2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.848 9.455 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.184 8.336 -4.601 1.00 0.00 H new ATOM 0 HD1 HIS A 75 5.025 7.590 -7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.056 6.471 -3.515 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.441 5.670 -7.642 1.00 0.00 H new ATOM 1175 N SER A 76 4.636 6.569 -1.368 1.00 0.00 N ATOM 1176 CA SER A 76 5.026 5.257 -0.770 1.00 0.00 C ATOM 1177 C SER A 76 4.512 4.130 -1.669 1.00 0.00 C ATOM 1178 O SER A 76 3.515 4.276 -2.350 1.00 0.00 O ATOM 1179 CB SER A 76 4.404 5.130 0.626 1.00 0.00 C ATOM 1180 OG SER A 76 3.026 5.460 0.559 1.00 0.00 O ATOM 0 H SER A 76 3.779 6.976 -0.993 1.00 0.00 H new ATOM 0 HA SER A 76 6.111 5.193 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.528 4.114 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.914 5.792 1.325 1.00 0.00 H new ATOM 0 HG SER A 76 2.811 6.112 1.259 1.00 0.00 H new ATOM 1186 N GLU A 77 5.176 3.002 -1.668 1.00 0.00 N ATOM 1187 CA GLU A 77 4.725 1.846 -2.510 1.00 0.00 C ATOM 1188 C GLU A 77 5.058 0.556 -1.769 1.00 0.00 C ATOM 1189 O GLU A 77 5.972 0.513 -0.969 1.00 0.00 O ATOM 1190 CB GLU A 77 5.449 1.841 -3.865 1.00 0.00 C ATOM 1191 CG GLU A 77 5.136 3.134 -4.657 1.00 0.00 C ATOM 1192 CD GLU A 77 6.038 4.283 -4.181 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.765 4.090 -3.219 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.993 5.333 -4.795 1.00 0.00 O ATOM 0 H GLU A 77 6.017 2.829 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 77 3.653 1.931 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.524 1.756 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.141 0.970 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.287 2.961 -5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.089 3.406 -4.524 1.00 0.00 H new ATOM 1201 N ILE A 78 4.319 -0.496 -2.031 1.00 0.00 N ATOM 1202 CA ILE A 78 4.567 -1.812 -1.354 1.00 0.00 C ATOM 1203 C ILE A 78 4.564 -2.937 -2.393 1.00 0.00 C ATOM 1204 O ILE A 78 3.903 -2.858 -3.410 1.00 0.00 O ATOM 1205 CB ILE A 78 3.463 -2.054 -0.315 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.077 -1.945 -0.979 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.578 -1.010 0.802 1.00 0.00 C ATOM 1208 CD1 ILE A 78 0.998 -2.399 0.006 1.00 0.00 C ATOM 0 H ILE A 78 3.544 -0.500 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 78 5.538 -1.795 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 78 3.579 -3.054 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.891 -0.917 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.044 -2.560 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.795 -1.180 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.553 -1.095 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.467 -0.011 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.019 -2.321 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.181 -3.434 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.025 -1.766 0.893 1.00 0.00 H new ATOM 1220 N ARG A 79 5.303 -3.990 -2.136 1.00 0.00 N ATOM 1221 CA ARG A 79 5.356 -5.142 -3.090 1.00 0.00 C ATOM 1222 C ARG A 79 5.653 -6.418 -2.308 1.00 0.00 C ATOM 1223 O ARG A 79 6.244 -6.391 -1.247 1.00 0.00 O ATOM 1224 CB ARG A 79 6.453 -4.909 -4.139 1.00 0.00 C ATOM 1225 CG ARG A 79 6.418 -6.044 -5.172 1.00 0.00 C ATOM 1226 CD ARG A 79 7.421 -5.777 -6.299 1.00 0.00 C ATOM 1227 NE ARG A 79 7.094 -6.648 -7.469 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.952 -6.773 -8.451 1.00 0.00 C ATOM 1229 NH1 ARG A 79 9.132 -6.218 -8.355 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.632 -7.440 -9.526 1.00 0.00 N ATOM 0 H ARG A 79 5.876 -4.101 -1.299 1.00 0.00 H new ATOM 0 HA ARG A 79 4.398 -5.235 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.302 -3.949 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.430 -4.870 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.651 -6.992 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.414 -6.136 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.386 -4.728 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.435 -5.978 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 79 6.204 -7.145 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.381 -5.691 -7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.804 -6.313 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.709 -7.868 -9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.305 -7.534 -10.287 1.00 0.00 H new ATOM 1244 N LEU A 80 5.241 -7.536 -2.830 1.00 0.00 N ATOM 1245 CA LEU A 80 5.488 -8.824 -2.133 1.00 0.00 C ATOM 1246 C LEU A 80 6.995 -9.079 -2.055 1.00 0.00 C ATOM 1247 O LEU A 80 7.749 -8.603 -2.878 1.00 0.00 O ATOM 1248 CB LEU A 80 4.831 -9.961 -2.918 1.00 0.00 C ATOM 1249 CG LEU A 80 3.351 -9.647 -3.177 1.00 0.00 C ATOM 1250 CD1 LEU A 80 2.759 -10.793 -4.000 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.583 -9.500 -1.845 1.00 0.00 C ATOM 0 H LEU A 80 4.740 -7.613 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 80 5.068 -8.778 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.350 -10.105 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.919 -10.894 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 80 3.263 -8.705 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.706 -10.593 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.296 -10.877 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.853 -11.726 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.536 -9.278 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.652 -10.430 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.018 -8.689 -1.262 1.00 0.00 H new ATOM 1263 N ARG A 81 7.419 -9.827 -1.059 1.00 0.00 N ATOM 1264 CA ARG A 81 8.880 -10.152 -0.865 1.00 0.00 C ATOM 1265 C ARG A 81 9.550 -9.022 -0.082 1.00 0.00 C ATOM 1266 O ARG A 81 9.104 -7.897 -0.105 1.00 0.00 O ATOM 1267 CB ARG A 81 9.606 -10.344 -2.222 1.00 0.00 C ATOM 1268 CG ARG A 81 10.802 -11.339 -2.085 1.00 0.00 C ATOM 1269 CD ARG A 81 10.323 -12.788 -2.274 1.00 0.00 C ATOM 1270 NE ARG A 81 9.545 -12.896 -3.546 1.00 0.00 N ATOM 1271 CZ ARG A 81 9.086 -14.051 -3.949 1.00 0.00 C ATOM 1272 NH1 ARG A 81 9.372 -15.142 -3.286 1.00 0.00 N ATOM 1273 NH2 ARG A 81 8.345 -14.117 -5.020 1.00 0.00 N ATOM 0 H ARG A 81 6.803 -10.236 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 81 8.950 -11.088 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.901 -10.718 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.969 -9.382 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.566 -11.103 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.264 -11.228 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.178 -13.464 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.703 -13.090 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 81 9.371 -12.060 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.955 -15.093 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.011 -16.042 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.125 -13.268 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.985 -15.017 -5.337 1.00 0.00 H new