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 Set 1.1: A 54 SER OG : rot -77:sc= -0.0327 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.0958 X(o=-0.13,f=-0.26) USER MOD Single : A 7 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.35) USER MOD Single : A 10 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.5!) USER MOD Single : A 12 MET CE :methyl 166:sc= -0.7 (180deg=-1.3) USER MOD Single : A 14 THR OG1 : rot 82:sc= 1.09 USER MOD Single : A 15 SER OG : rot 105:sc= 1.26 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 82:sc= 1.02 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0654 (180deg=-0.518) USER MOD Single : A 39 ASN : amide:sc= 0.343 X(o=0.34,f=-0.12) USER MOD Single : A 42 SER OG : rot 0:sc= 0.86 USER MOD Single : A 47 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1.9!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= -0.0708 (180deg=-0.625) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.743 K(o=-0.74,f=-4.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0145 (180deg=-0.343) USER MOD Single : A 75 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-9.7!) USER MOD Single : A 76 SER OG : rot 50:sc= -4.27! USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -7.835 -15.230 4.953 1.00 0.00 N ATOM 111 CA HIS A 7 -6.683 -15.599 4.074 1.00 0.00 C ATOM 112 C HIS A 7 -5.391 -14.924 4.594 1.00 0.00 C ATOM 113 O HIS A 7 -5.449 -13.847 5.157 1.00 0.00 O ATOM 114 CB HIS A 7 -6.979 -15.150 2.624 1.00 0.00 C ATOM 115 CG HIS A 7 -8.430 -15.396 2.305 1.00 0.00 C ATOM 116 ND1 HIS A 7 -9.079 -16.571 2.658 1.00 0.00 N ATOM 117 CD2 HIS A 7 -9.371 -14.624 1.670 1.00 0.00 C ATOM 118 CE1 HIS A 7 -10.353 -16.470 2.235 1.00 0.00 C ATOM 119 NE2 HIS A 7 -10.584 -15.305 1.627 1.00 0.00 N ATOM 0 HA HIS A 7 -6.542 -16.680 4.089 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -6.744 -14.092 2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.345 -15.697 1.927 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.196 -13.638 1.265 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.098 -17.239 2.371 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.461 -14.983 1.218 1.00 0.00 H new ATOM 127 N PRO A 8 -4.224 -15.527 4.404 1.00 0.00 N ATOM 128 CA PRO A 8 -2.943 -14.920 4.875 1.00 0.00 C ATOM 129 C PRO A 8 -2.847 -13.424 4.530 1.00 0.00 C ATOM 130 O PRO A 8 -3.503 -12.935 3.631 1.00 0.00 O ATOM 131 CB PRO A 8 -1.843 -15.718 4.133 1.00 0.00 C ATOM 132 CG PRO A 8 -2.471 -17.036 3.749 1.00 0.00 C ATOM 133 CD PRO A 8 -4.006 -16.837 3.751 1.00 0.00 C ATOM 0 HA PRO A 8 -2.853 -14.974 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.498 -15.179 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.974 -15.872 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.127 -17.353 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.185 -17.817 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.406 -16.843 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.507 -17.637 4.296 1.00 0.00 H new ATOM 141 N LEU A 9 -2.026 -12.704 5.243 1.00 0.00 N ATOM 142 CA LEU A 9 -1.869 -11.248 4.967 1.00 0.00 C ATOM 143 C LEU A 9 -1.325 -11.070 3.544 1.00 0.00 C ATOM 144 O LEU A 9 -1.734 -10.183 2.821 1.00 0.00 O ATOM 145 CB LEU A 9 -0.880 -10.639 5.985 1.00 0.00 C ATOM 146 CG LEU A 9 -1.588 -10.338 7.316 1.00 0.00 C ATOM 147 CD1 LEU A 9 -2.129 -11.638 7.930 1.00 0.00 C ATOM 148 CD2 LEU A 9 -0.588 -9.688 8.280 1.00 0.00 C ATOM 0 H LEU A 9 -1.455 -13.063 6.008 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.831 -10.743 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.054 -11.329 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.451 -9.722 5.580 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.422 -9.660 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.629 -11.415 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.839 -12.097 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.303 -12.326 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.083 -9.472 9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.245 -10.369 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.214 -8.761 7.846 1.00 0.00 H new ATOM 160 N GLN A 10 -0.400 -11.901 3.141 1.00 0.00 N ATOM 161 CA GLN A 10 0.177 -11.774 1.769 1.00 0.00 C ATOM 162 C GLN A 10 -0.953 -11.792 0.743 1.00 0.00 C ATOM 163 O GLN A 10 -0.952 -11.042 -0.211 1.00 0.00 O ATOM 164 CB GLN A 10 1.120 -12.953 1.504 1.00 0.00 C ATOM 165 CG GLN A 10 1.789 -12.785 0.133 1.00 0.00 C ATOM 166 CD GLN A 10 2.866 -13.860 -0.048 1.00 0.00 C ATOM 167 OE1 GLN A 10 3.302 -14.469 0.909 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.316 -14.121 -1.246 1.00 0.00 N ATOM 0 H GLN A 10 -0.019 -12.663 3.702 1.00 0.00 H new ATOM 0 HA GLN A 10 0.730 -10.838 1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.879 -13.007 2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.564 -13.890 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.044 -12.865 -0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.234 -11.793 0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.951 -13.611 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.032 -14.835 -1.377 1.00 0.00 H new ATOM 177 N ASP A 11 -1.919 -12.644 0.933 1.00 0.00 N ATOM 178 CA ASP A 11 -3.051 -12.707 -0.029 1.00 0.00 C ATOM 179 C ASP A 11 -3.804 -11.374 -0.011 1.00 0.00 C ATOM 180 O ASP A 11 -4.180 -10.849 -1.040 1.00 0.00 O ATOM 181 CB ASP A 11 -4.002 -13.839 0.375 1.00 0.00 C ATOM 182 CG ASP A 11 -5.172 -13.911 -0.614 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.088 -13.283 -1.655 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.133 -14.599 -0.308 1.00 0.00 O ATOM 0 H ASP A 11 -1.974 -13.299 1.713 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.669 -12.897 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.467 -14.788 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.377 -13.669 1.384 1.00 0.00 H new ATOM 189 N MET A 12 -4.034 -10.823 1.154 1.00 0.00 N ATOM 190 CA MET A 12 -4.770 -9.527 1.230 1.00 0.00 C ATOM 191 C MET A 12 -3.980 -8.431 0.502 1.00 0.00 C ATOM 192 O MET A 12 -4.505 -7.737 -0.345 1.00 0.00 O ATOM 193 CB MET A 12 -4.947 -9.138 2.703 1.00 0.00 C ATOM 194 CG MET A 12 -5.810 -7.875 2.817 1.00 0.00 C ATOM 195 SD MET A 12 -6.082 -7.493 4.567 1.00 0.00 S ATOM 196 CE MET A 12 -7.185 -6.077 4.334 1.00 0.00 C ATOM 0 H MET A 12 -3.745 -11.213 2.051 1.00 0.00 H new ATOM 0 HA MET A 12 -5.745 -9.636 0.755 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.414 -9.957 3.249 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.973 -8.964 3.160 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.317 -7.038 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.765 -8.026 2.313 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.673 -5.837 5.279 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.607 -5.217 3.995 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.940 -6.323 3.588 1.00 0.00 H new ATOM 206 N PHE A 13 -2.726 -8.263 0.828 1.00 0.00 N ATOM 207 CA PHE A 13 -1.914 -7.204 0.152 1.00 0.00 C ATOM 208 C PHE A 13 -1.672 -7.583 -1.313 1.00 0.00 C ATOM 209 O PHE A 13 -1.747 -6.754 -2.196 1.00 0.00 O ATOM 210 CB PHE A 13 -0.565 -7.052 0.869 1.00 0.00 C ATOM 211 CG PHE A 13 -0.790 -6.479 2.259 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.194 -5.145 2.403 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.600 -7.276 3.401 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.406 -4.607 3.678 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.811 -6.734 4.676 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.215 -5.402 4.814 1.00 0.00 C ATOM 0 H PHE A 13 -2.228 -8.810 1.530 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.458 -6.260 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.068 -8.019 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.091 -6.397 0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.342 -4.530 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.292 -8.306 3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.717 -3.578 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.661 -7.346 5.553 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.380 -4.987 5.797 1.00 0.00 H new ATOM 226 N THR A 14 -1.372 -8.823 -1.575 1.00 0.00 N ATOM 227 CA THR A 14 -1.110 -9.252 -2.980 1.00 0.00 C ATOM 228 C THR A 14 -2.364 -9.038 -3.831 1.00 0.00 C ATOM 229 O THR A 14 -2.298 -8.526 -4.932 1.00 0.00 O ATOM 230 CB THR A 14 -0.725 -10.738 -2.985 1.00 0.00 C ATOM 231 OG1 THR A 14 0.463 -10.916 -2.227 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.488 -11.223 -4.421 1.00 0.00 C ATOM 0 H THR A 14 -1.296 -9.562 -0.876 1.00 0.00 H new ATOM 0 HA THR A 14 -0.296 -8.660 -3.398 1.00 0.00 H new ATOM 0 HB THR A 14 -1.538 -11.317 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.240 -10.959 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.216 -12.278 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.399 -11.090 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.319 -10.646 -4.872 1.00 0.00 H new ATOM 240 N SER A 15 -3.504 -9.429 -3.336 1.00 0.00 N ATOM 241 CA SER A 15 -4.757 -9.253 -4.123 1.00 0.00 C ATOM 242 C SER A 15 -4.986 -7.765 -4.403 1.00 0.00 C ATOM 243 O SER A 15 -5.371 -7.380 -5.490 1.00 0.00 O ATOM 244 CB SER A 15 -5.938 -9.813 -3.330 1.00 0.00 C ATOM 245 OG SER A 15 -5.702 -11.184 -3.038 1.00 0.00 O ATOM 0 H SER A 15 -3.623 -9.863 -2.421 1.00 0.00 H new ATOM 0 HA SER A 15 -4.668 -9.787 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.069 -9.250 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.859 -9.705 -3.903 1.00 0.00 H new ATOM 0 HG SER A 15 -5.451 -11.279 -2.095 1.00 0.00 H new ATOM 251 N ALA A 16 -4.766 -6.924 -3.427 1.00 0.00 N ATOM 252 CA ALA A 16 -4.988 -5.463 -3.640 1.00 0.00 C ATOM 253 C ALA A 16 -4.018 -4.925 -4.698 1.00 0.00 C ATOM 254 O ALA A 16 -4.392 -4.156 -5.558 1.00 0.00 O ATOM 255 CB ALA A 16 -4.758 -4.712 -2.323 1.00 0.00 C ATOM 0 H ALA A 16 -4.443 -7.184 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.012 -5.312 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.920 -3.646 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.454 -5.078 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.736 -4.878 -1.984 1.00 0.00 H new ATOM 261 N ILE A 17 -2.774 -5.312 -4.641 1.00 0.00 N ATOM 262 CA ILE A 17 -1.795 -4.793 -5.640 1.00 0.00 C ATOM 263 C ILE A 17 -2.220 -5.226 -7.042 1.00 0.00 C ATOM 264 O ILE A 17 -2.222 -4.439 -7.962 1.00 0.00 O ATOM 265 CB ILE A 17 -0.403 -5.368 -5.315 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.080 -4.795 -3.969 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.607 -4.999 -6.422 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.300 -5.583 -3.476 1.00 0.00 C ATOM 0 H ILE A 17 -2.394 -5.960 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.761 -3.704 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.474 -6.454 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.338 -3.742 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.721 -4.849 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.585 -5.413 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.269 -5.408 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.682 -3.914 -6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.637 -5.173 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.028 -6.630 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.103 -5.506 -4.209 1.00 0.00 H new ATOM 280 N GLU A 18 -2.579 -6.465 -7.214 1.00 0.00 N ATOM 281 CA GLU A 18 -2.992 -6.939 -8.563 1.00 0.00 C ATOM 282 C GLU A 18 -4.300 -6.254 -8.969 1.00 0.00 C ATOM 283 O GLU A 18 -4.524 -5.959 -10.126 1.00 0.00 O ATOM 284 CB GLU A 18 -3.181 -8.461 -8.522 1.00 0.00 C ATOM 285 CG GLU A 18 -3.366 -9.013 -9.943 1.00 0.00 C ATOM 286 CD GLU A 18 -2.047 -8.924 -10.723 1.00 0.00 C ATOM 287 OE1 GLU A 18 -1.040 -8.598 -10.117 1.00 0.00 O ATOM 288 OE2 GLU A 18 -2.071 -9.182 -11.915 1.00 0.00 O ATOM 0 H GLU A 18 -2.605 -7.171 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.224 -6.691 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.316 -8.929 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.049 -8.710 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.701 -10.049 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.142 -8.450 -10.461 1.00 0.00 H new ATOM 295 N ALA A 19 -5.170 -6.004 -8.029 1.00 0.00 N ATOM 296 CA ALA A 19 -6.465 -5.349 -8.366 1.00 0.00 C ATOM 297 C ALA A 19 -6.212 -3.968 -8.980 1.00 0.00 C ATOM 298 O ALA A 19 -7.001 -3.485 -9.769 1.00 0.00 O ATOM 299 CB ALA A 19 -7.306 -5.191 -7.098 1.00 0.00 C ATOM 0 H ALA A 19 -5.040 -6.225 -7.042 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.998 -5.970 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.253 -4.712 -7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.499 -6.172 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.766 -4.576 -6.378 1.00 0.00 H new ATOM 305 N VAL A 20 -5.120 -3.328 -8.622 1.00 0.00 N ATOM 306 CA VAL A 20 -4.803 -1.963 -9.182 1.00 0.00 C ATOM 307 C VAL A 20 -3.314 -1.889 -9.556 1.00 0.00 C ATOM 308 O VAL A 20 -2.720 -0.830 -9.549 1.00 0.00 O ATOM 309 CB VAL A 20 -5.141 -0.886 -8.123 1.00 0.00 C ATOM 310 CG1 VAL A 20 -6.654 -0.623 -8.101 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.699 -1.376 -6.738 1.00 0.00 C ATOM 0 H VAL A 20 -4.430 -3.691 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.399 -1.786 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.618 0.036 -8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.880 0.136 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.977 -0.273 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.180 -1.545 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.936 -0.618 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.222 -2.301 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.624 -1.557 -6.742 1.00 0.00 H new ATOM 321 N ALA A 21 -2.704 -2.999 -9.891 1.00 0.00 N ATOM 322 CA ALA A 21 -1.258 -2.969 -10.271 1.00 0.00 C ATOM 323 C ALA A 21 -1.091 -2.117 -11.528 1.00 0.00 C ATOM 324 O ALA A 21 -0.028 -1.598 -11.795 1.00 0.00 O ATOM 325 CB ALA A 21 -0.766 -4.404 -10.545 1.00 0.00 C ATOM 0 H ALA A 21 -3.142 -3.920 -9.918 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.672 -2.541 -9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.288 -4.381 -10.822 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.892 -5.009 -9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.346 -4.838 -11.360 1.00 0.00 H new ATOM 331 N ARG A 22 -2.139 -1.975 -12.295 1.00 0.00 N ATOM 332 CA ARG A 22 -2.064 -1.154 -13.534 1.00 0.00 C ATOM 333 C ARG A 22 -0.929 -1.659 -14.444 1.00 0.00 C ATOM 334 O ARG A 22 -0.383 -2.724 -14.238 1.00 0.00 O ATOM 335 CB ARG A 22 -1.833 0.311 -13.155 1.00 0.00 C ATOM 336 CG ARG A 22 -3.089 0.888 -12.475 1.00 0.00 C ATOM 337 CD ARG A 22 -2.765 2.276 -11.883 1.00 0.00 C ATOM 338 NE ARG A 22 -3.955 3.186 -11.989 1.00 0.00 N ATOM 339 CZ ARG A 22 -4.039 4.236 -11.205 1.00 0.00 C ATOM 340 NH1 ARG A 22 -3.487 4.218 -10.028 1.00 0.00 N ATOM 341 NH2 ARG A 22 -4.733 5.280 -11.559 1.00 0.00 N ATOM 0 H ARG A 22 -3.050 -2.397 -12.113 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.002 -1.241 -14.082 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.978 0.390 -12.484 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.594 0.891 -14.046 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.901 0.970 -13.198 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.430 0.216 -11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.471 2.172 -10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.917 2.714 -12.410 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.693 2.990 -12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.987 3.387 -9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.554 5.035 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.220 5.289 -12.455 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.790 6.089 -10.940 1.00 0.00 H new ATOM 355 N ASP A 23 -0.592 -0.909 -15.464 1.00 0.00 N ATOM 356 CA ASP A 23 0.483 -1.349 -16.409 1.00 0.00 C ATOM 357 C ASP A 23 1.803 -1.562 -15.661 1.00 0.00 C ATOM 358 O ASP A 23 2.465 -2.570 -15.827 1.00 0.00 O ATOM 359 CB ASP A 23 0.670 -0.274 -17.488 1.00 0.00 C ATOM 360 CG ASP A 23 1.779 -0.691 -18.463 1.00 0.00 C ATOM 361 OD1 ASP A 23 2.181 -1.841 -18.421 1.00 0.00 O ATOM 362 OD2 ASP A 23 2.209 0.154 -19.231 1.00 0.00 O ATOM 0 H ASP A 23 -1.016 -0.008 -15.684 1.00 0.00 H new ATOM 0 HA ASP A 23 0.190 -2.293 -16.868 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.264 -0.126 -18.030 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.924 0.679 -17.023 1.00 0.00 H new ATOM 367 N SER A 24 2.201 -0.626 -14.845 1.00 0.00 N ATOM 368 CA SER A 24 3.480 -0.778 -14.094 1.00 0.00 C ATOM 369 C SER A 24 3.307 -1.843 -13.007 1.00 0.00 C ATOM 370 O SER A 24 2.225 -2.057 -12.500 1.00 0.00 O ATOM 371 CB SER A 24 3.845 0.568 -13.458 1.00 0.00 C ATOM 372 OG SER A 24 4.309 1.450 -14.471 1.00 0.00 O ATOM 0 H SER A 24 1.694 0.241 -14.665 1.00 0.00 H new ATOM 0 HA SER A 24 4.277 -1.088 -14.770 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.976 0.995 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.615 0.429 -12.699 1.00 0.00 H new ATOM 0 HG SER A 24 4.543 2.314 -14.071 1.00 0.00 H new ATOM 378 N GLY A 25 4.367 -2.517 -12.648 1.00 0.00 N ATOM 379 CA GLY A 25 4.269 -3.572 -11.592 1.00 0.00 C ATOM 380 C GLY A 25 4.171 -2.904 -10.219 1.00 0.00 C ATOM 381 O GLY A 25 4.064 -3.563 -9.202 1.00 0.00 O ATOM 0 H GLY A 25 5.299 -2.384 -13.040 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.395 -4.199 -11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.142 -4.224 -11.631 1.00 0.00 H new ATOM 385 N TRP A 26 4.206 -1.593 -10.189 1.00 0.00 N ATOM 386 CA TRP A 26 4.114 -0.839 -8.891 1.00 0.00 C ATOM 387 C TRP A 26 2.690 -0.321 -8.702 1.00 0.00 C ATOM 388 O TRP A 26 2.007 0.003 -9.654 1.00 0.00 O ATOM 389 CB TRP A 26 5.084 0.351 -8.926 1.00 0.00 C ATOM 390 CG TRP A 26 6.495 -0.150 -8.899 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.325 -0.216 -9.966 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.248 -0.655 -7.761 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.541 -0.733 -9.551 1.00 0.00 N ATOM 394 CE2 TRP A 26 8.542 -1.018 -8.200 1.00 0.00 C ATOM 395 CE3 TRP A 26 6.934 -0.830 -6.400 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.492 -1.541 -7.320 1.00 0.00 C ATOM 397 CZ3 TRP A 26 7.887 -1.354 -5.513 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.163 -1.708 -5.972 1.00 0.00 C ATOM 0 H TRP A 26 4.295 -1.004 -11.017 1.00 0.00 H new ATOM 0 HA TRP A 26 4.373 -1.502 -8.066 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.915 0.944 -9.825 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.903 1.006 -8.073 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.080 0.085 -10.974 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.339 -0.885 -10.168 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.954 -0.559 -6.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.473 -1.814 -7.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.636 -1.485 -4.471 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.892 -2.110 -5.284 1.00 0.00 H new ATOM 409 N ALA A 27 2.240 -0.240 -7.470 1.00 0.00 N ATOM 410 CA ALA A 27 0.856 0.261 -7.171 1.00 0.00 C ATOM 411 C ALA A 27 0.944 1.354 -6.108 1.00 0.00 C ATOM 412 O ALA A 27 1.517 1.166 -5.053 1.00 0.00 O ATOM 413 CB ALA A 27 0.005 -0.891 -6.633 1.00 0.00 C ATOM 0 H ALA A 27 2.781 -0.504 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 27 0.403 0.658 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.000 -0.530 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.048 -1.684 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.456 -1.281 -5.721 1.00 0.00 H new ATOM 419 N GLU A 28 0.384 2.499 -6.378 1.00 0.00 N ATOM 420 CA GLU A 28 0.437 3.606 -5.383 1.00 0.00 C ATOM 421 C GLU A 28 -0.317 3.193 -4.111 1.00 0.00 C ATOM 422 O GLU A 28 -1.355 2.568 -4.167 1.00 0.00 O ATOM 423 CB GLU A 28 -0.190 4.874 -5.987 1.00 0.00 C ATOM 424 CG GLU A 28 -1.548 4.551 -6.608 1.00 0.00 C ATOM 425 CD GLU A 28 -2.164 5.826 -7.187 1.00 0.00 C ATOM 426 OE1 GLU A 28 -1.423 6.620 -7.743 1.00 0.00 O ATOM 427 OE2 GLU A 28 -3.367 5.987 -7.066 1.00 0.00 O ATOM 0 H GLU A 28 -0.108 2.717 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 28 1.475 3.815 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.308 5.633 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.474 5.291 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.432 3.803 -7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.211 4.124 -5.856 1.00 0.00 H new ATOM 434 N LEU A 29 0.223 3.518 -2.965 1.00 0.00 N ATOM 435 CA LEU A 29 -0.429 3.131 -1.677 1.00 0.00 C ATOM 436 C LEU A 29 -1.884 3.638 -1.672 1.00 0.00 C ATOM 437 O LEU A 29 -2.776 2.974 -1.186 1.00 0.00 O ATOM 438 CB LEU A 29 0.375 3.762 -0.495 1.00 0.00 C ATOM 439 CG LEU A 29 0.621 2.756 0.671 1.00 0.00 C ATOM 440 CD1 LEU A 29 -0.704 2.119 1.144 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.631 1.650 0.255 1.00 0.00 C ATOM 0 H LEU A 29 1.094 4.039 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.436 2.047 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.334 4.124 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.167 4.628 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 29 1.050 3.317 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.503 1.422 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.379 2.900 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.167 1.585 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.783 0.964 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.237 1.101 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.582 2.109 -0.015 1.00 0.00 H new ATOM 453 N SER A 30 -2.125 4.809 -2.200 1.00 0.00 N ATOM 454 CA SER A 30 -3.517 5.352 -2.214 1.00 0.00 C ATOM 455 C SER A 30 -4.452 4.354 -2.906 1.00 0.00 C ATOM 456 O SER A 30 -5.541 4.088 -2.437 1.00 0.00 O ATOM 457 CB SER A 30 -3.539 6.677 -2.984 1.00 0.00 C ATOM 458 OG SER A 30 -2.688 7.616 -2.337 1.00 0.00 O ATOM 0 H SER A 30 -1.420 5.413 -2.622 1.00 0.00 H new ATOM 0 HA SER A 30 -3.850 5.515 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.209 6.519 -4.011 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.556 7.065 -3.032 1.00 0.00 H new ATOM 0 HG SER A 30 -2.701 8.463 -2.830 1.00 0.00 H new ATOM 464 N ALA A 31 -4.043 3.804 -4.016 1.00 0.00 N ATOM 465 CA ALA A 31 -4.922 2.825 -4.721 1.00 0.00 C ATOM 466 C ALA A 31 -5.080 1.565 -3.861 1.00 0.00 C ATOM 467 O ALA A 31 -6.143 0.981 -3.795 1.00 0.00 O ATOM 468 CB ALA A 31 -4.311 2.457 -6.078 1.00 0.00 C ATOM 0 H ALA A 31 -3.145 3.987 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.901 3.274 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.958 1.742 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.212 3.355 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.328 2.012 -5.926 1.00 0.00 H new ATOM 474 N VAL A 32 -4.031 1.132 -3.208 1.00 0.00 N ATOM 475 CA VAL A 32 -4.137 -0.096 -2.364 1.00 0.00 C ATOM 476 C VAL A 32 -5.140 0.150 -1.233 1.00 0.00 C ATOM 477 O VAL A 32 -6.032 -0.639 -0.994 1.00 0.00 O ATOM 478 CB VAL A 32 -2.757 -0.410 -1.766 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.843 -1.617 -0.819 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.779 -0.723 -2.901 1.00 0.00 C ATOM 0 H VAL A 32 -3.111 1.573 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.476 -0.936 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.410 0.454 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.857 -1.825 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.538 -1.395 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.196 -2.488 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.797 -0.947 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.139 -1.584 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.704 0.139 -3.564 1.00 0.00 H new ATOM 490 N GLY A 33 -4.986 1.233 -0.527 1.00 0.00 N ATOM 491 CA GLY A 33 -5.916 1.527 0.598 1.00 0.00 C ATOM 492 C GLY A 33 -7.337 1.705 0.066 1.00 0.00 C ATOM 493 O GLY A 33 -8.287 1.199 0.632 1.00 0.00 O ATOM 0 H GLY A 33 -4.256 1.929 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.890 0.715 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.597 2.430 1.118 1.00 0.00 H new ATOM 497 N SER A 34 -7.497 2.424 -1.013 1.00 0.00 N ATOM 498 CA SER A 34 -8.866 2.630 -1.566 1.00 0.00 C ATOM 499 C SER A 34 -9.483 1.275 -1.920 1.00 0.00 C ATOM 500 O SER A 34 -10.631 1.010 -1.627 1.00 0.00 O ATOM 501 CB SER A 34 -8.783 3.494 -2.828 1.00 0.00 C ATOM 502 OG SER A 34 -8.251 4.771 -2.493 1.00 0.00 O ATOM 0 H SER A 34 -6.744 2.875 -1.532 1.00 0.00 H new ATOM 0 HA SER A 34 -9.485 3.130 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.152 3.009 -3.573 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.772 3.605 -3.272 1.00 0.00 H new ATOM 0 HG SER A 34 -7.274 4.716 -2.444 1.00 0.00 H new ATOM 508 N TYR A 35 -8.726 0.414 -2.545 1.00 0.00 N ATOM 509 CA TYR A 35 -9.269 -0.923 -2.916 1.00 0.00 C ATOM 510 C TYR A 35 -9.682 -1.668 -1.644 1.00 0.00 C ATOM 511 O TYR A 35 -10.759 -2.222 -1.556 1.00 0.00 O ATOM 512 CB TYR A 35 -8.188 -1.724 -3.654 1.00 0.00 C ATOM 513 CG TYR A 35 -8.696 -3.120 -3.959 1.00 0.00 C ATOM 514 CD1 TYR A 35 -9.521 -3.332 -5.069 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.346 -4.198 -3.132 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.993 -4.617 -5.356 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.818 -5.484 -3.421 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.643 -5.692 -4.534 1.00 0.00 C ATOM 519 OH TYR A 35 -10.109 -6.960 -4.819 1.00 0.00 O ATOM 0 H TYR A 35 -7.756 0.579 -2.814 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.136 -0.802 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.916 -1.217 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.286 -1.781 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.794 -2.503 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.712 -4.036 -2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.629 -4.779 -6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.546 -6.315 -2.787 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.771 -7.591 -4.150 1.00 0.00 H new ATOM 529 N LEU A 36 -8.830 -1.684 -0.662 1.00 0.00 N ATOM 530 CA LEU A 36 -9.164 -2.392 0.604 1.00 0.00 C ATOM 531 C LEU A 36 -10.365 -1.707 1.256 1.00 0.00 C ATOM 532 O LEU A 36 -11.235 -2.353 1.801 1.00 0.00 O ATOM 533 CB LEU A 36 -7.966 -2.345 1.556 1.00 0.00 C ATOM 534 CG LEU A 36 -6.782 -3.146 0.974 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.544 -2.915 1.851 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.106 -4.665 0.914 1.00 0.00 C ATOM 0 H LEU A 36 -7.914 -1.237 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.405 -3.433 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.666 -1.310 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.248 -2.755 2.526 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.593 -2.802 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.702 -3.477 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.299 -1.853 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.750 -3.250 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.253 -5.203 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.314 -5.033 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.979 -4.826 0.281 1.00 0.00 H new ATOM 548 N ALA A 37 -10.417 -0.402 1.216 1.00 0.00 N ATOM 549 CA ALA A 37 -11.563 0.319 1.846 1.00 0.00 C ATOM 550 C ALA A 37 -12.879 -0.182 1.243 1.00 0.00 C ATOM 551 O ALA A 37 -13.834 -0.445 1.947 1.00 0.00 O ATOM 552 CB ALA A 37 -11.432 1.820 1.582 1.00 0.00 C ATOM 0 H ALA A 37 -9.717 0.195 0.775 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.556 0.133 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.269 2.345 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.497 2.184 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.436 2.002 0.507 1.00 0.00 H new ATOM 558 N LYS A 38 -12.940 -0.307 -0.054 1.00 0.00 N ATOM 559 CA LYS A 38 -14.200 -0.782 -0.694 1.00 0.00 C ATOM 560 C LYS A 38 -14.540 -2.177 -0.169 1.00 0.00 C ATOM 561 O LYS A 38 -15.656 -2.447 0.232 1.00 0.00 O ATOM 562 CB LYS A 38 -13.991 -0.844 -2.211 1.00 0.00 C ATOM 563 CG LYS A 38 -15.304 -1.206 -2.911 1.00 0.00 C ATOM 564 CD LYS A 38 -15.086 -1.203 -4.426 1.00 0.00 C ATOM 565 CE LYS A 38 -16.396 -1.547 -5.133 1.00 0.00 C ATOM 566 NZ LYS A 38 -17.415 -0.506 -4.827 1.00 0.00 N ATOM 0 H LYS A 38 -12.175 -0.102 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.017 -0.099 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.629 0.118 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.227 -1.584 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.646 -2.188 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.082 -0.491 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.732 -0.225 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.316 -1.926 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.235 -1.608 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.751 -2.525 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.177 -0.548 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.811 -0.676 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.970 0.434 -4.853 1.00 0.00 H new ATOM 580 N ASN A 39 -13.586 -3.065 -0.166 1.00 0.00 N ATOM 581 CA ASN A 39 -13.846 -4.444 0.335 1.00 0.00 C ATOM 582 C ASN A 39 -14.148 -4.400 1.838 1.00 0.00 C ATOM 583 O ASN A 39 -15.010 -5.100 2.332 1.00 0.00 O ATOM 584 CB ASN A 39 -12.604 -5.307 0.083 1.00 0.00 C ATOM 585 CG ASN A 39 -12.417 -5.510 -1.423 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.138 -6.267 -2.042 1.00 0.00 O ATOM 587 ND2 ASN A 39 -11.471 -4.859 -2.043 1.00 0.00 N ATOM 0 H ASN A 39 -12.634 -2.895 -0.490 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.703 -4.870 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.723 -4.827 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.712 -6.271 0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.338 -4.986 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.865 -4.223 -1.524 1.00 0.00 H new ATOM 594 N ASP A 40 -13.433 -3.583 2.572 1.00 0.00 N ATOM 595 CA ASP A 40 -13.655 -3.488 4.048 1.00 0.00 C ATOM 596 C ASP A 40 -14.897 -2.611 4.319 1.00 0.00 C ATOM 597 O ASP A 40 -15.202 -1.726 3.544 1.00 0.00 O ATOM 598 CB ASP A 40 -12.413 -2.833 4.686 1.00 0.00 C ATOM 599 CG ASP A 40 -11.277 -3.855 4.803 1.00 0.00 C ATOM 600 OD1 ASP A 40 -10.777 -4.278 3.773 1.00 0.00 O ATOM 601 OD2 ASP A 40 -10.926 -4.197 5.920 1.00 0.00 O ATOM 0 H ASP A 40 -12.700 -2.974 2.209 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.815 -4.479 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.089 -1.986 4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.665 -2.443 5.672 1.00 0.00 H new ATOM 606 N PRO A 41 -15.611 -2.836 5.408 1.00 0.00 N ATOM 607 CA PRO A 41 -16.822 -2.020 5.737 1.00 0.00 C ATOM 608 C PRO A 41 -16.465 -0.539 5.951 1.00 0.00 C ATOM 609 O PRO A 41 -17.218 0.343 5.595 1.00 0.00 O ATOM 610 CB PRO A 41 -17.373 -2.673 7.033 1.00 0.00 C ATOM 611 CG PRO A 41 -16.202 -3.405 7.626 1.00 0.00 C ATOM 612 CD PRO A 41 -15.351 -3.866 6.436 1.00 0.00 C ATOM 0 HA PRO A 41 -17.555 -2.017 4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.758 -1.921 7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -18.195 -3.355 6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.629 -2.755 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -16.534 -4.255 8.222 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.293 -3.917 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.644 -4.858 6.093 1.00 0.00 H new ATOM 620 N SER A 42 -15.314 -0.276 6.511 1.00 0.00 N ATOM 621 CA SER A 42 -14.891 1.139 6.738 1.00 0.00 C ATOM 622 C SER A 42 -13.434 1.165 7.207 1.00 0.00 C ATOM 623 O SER A 42 -13.155 1.300 8.382 1.00 0.00 O ATOM 624 CB SER A 42 -15.781 1.796 7.804 1.00 0.00 C ATOM 625 OG SER A 42 -17.072 2.043 7.262 1.00 0.00 O ATOM 0 H SER A 42 -14.646 -0.981 6.822 1.00 0.00 H new ATOM 0 HA SER A 42 -14.989 1.692 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.860 1.147 8.676 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.332 2.730 8.141 1.00 0.00 H new ATOM 0 HG SER A 42 -17.101 1.735 6.332 1.00 0.00 H new ATOM 631 N PHE A 43 -12.499 1.053 6.299 1.00 0.00 N ATOM 632 CA PHE A 43 -11.054 1.091 6.693 1.00 0.00 C ATOM 633 C PHE A 43 -10.596 2.560 6.688 1.00 0.00 C ATOM 634 O PHE A 43 -10.445 3.170 7.725 1.00 0.00 O ATOM 635 CB PHE A 43 -10.238 0.260 5.685 1.00 0.00 C ATOM 636 CG PHE A 43 -8.845 0.013 6.225 1.00 0.00 C ATOM 637 CD1 PHE A 43 -7.874 1.009 6.127 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.531 -1.217 6.827 1.00 0.00 C ATOM 639 CE1 PHE A 43 -6.588 0.783 6.624 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.245 -1.445 7.324 1.00 0.00 C ATOM 641 CZ PHE A 43 -6.272 -0.445 7.224 1.00 0.00 C ATOM 0 H PHE A 43 -12.671 0.937 5.300 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.906 0.670 7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.737 -0.690 5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.180 0.785 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.116 1.956 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.284 -1.987 6.906 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.836 1.555 6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.003 -2.391 7.784 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.278 -0.618 7.609 1.00 0.00 H new ATOM 651 N ASP A 44 -10.372 3.111 5.522 1.00 0.00 N ATOM 652 CA ASP A 44 -9.919 4.534 5.410 1.00 0.00 C ATOM 653 C ASP A 44 -8.537 4.692 6.078 1.00 0.00 C ATOM 654 O ASP A 44 -8.457 4.961 7.261 1.00 0.00 O ATOM 655 CB ASP A 44 -10.930 5.467 6.116 1.00 0.00 C ATOM 656 CG ASP A 44 -12.354 5.060 5.740 1.00 0.00 C ATOM 657 OD1 ASP A 44 -12.822 5.503 4.703 1.00 0.00 O ATOM 658 OD2 ASP A 44 -12.958 4.320 6.500 1.00 0.00 O ATOM 0 H ASP A 44 -10.485 2.630 4.630 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.853 4.801 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.799 5.411 7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.749 6.502 5.826 1.00 0.00 H new ATOM 663 N PRO A 45 -7.453 4.538 5.349 1.00 0.00 N ATOM 664 CA PRO A 45 -6.091 4.686 5.941 1.00 0.00 C ATOM 665 C PRO A 45 -5.862 6.115 6.474 1.00 0.00 C ATOM 666 O PRO A 45 -4.964 6.362 7.255 1.00 0.00 O ATOM 667 CB PRO A 45 -5.107 4.333 4.788 1.00 0.00 C ATOM 668 CG PRO A 45 -5.952 3.753 3.674 1.00 0.00 C ATOM 669 CD PRO A 45 -7.402 4.213 3.912 1.00 0.00 C ATOM 0 HA PRO A 45 -5.948 4.033 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.571 5.219 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.357 3.616 5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.595 4.095 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.890 2.665 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.649 5.080 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.115 3.429 3.657 1.00 0.00 H new ATOM 677 N ARG A 46 -6.668 7.050 6.047 1.00 0.00 N ATOM 678 CA ARG A 46 -6.497 8.461 6.517 1.00 0.00 C ATOM 679 C ARG A 46 -6.570 8.490 8.039 1.00 0.00 C ATOM 680 O ARG A 46 -5.744 9.085 8.703 1.00 0.00 O ATOM 681 CB ARG A 46 -7.624 9.312 5.918 1.00 0.00 C ATOM 682 CG ARG A 46 -7.378 9.408 4.415 1.00 0.00 C ATOM 683 CD ARG A 46 -8.469 10.190 3.700 1.00 0.00 C ATOM 684 NE ARG A 46 -8.089 10.154 2.255 1.00 0.00 N ATOM 685 CZ ARG A 46 -7.286 11.060 1.753 1.00 0.00 C ATOM 686 NH1 ARG A 46 -7.233 12.266 2.254 1.00 0.00 N ATOM 687 NH2 ARG A 46 -6.581 10.778 0.692 1.00 0.00 N ATOM 0 H ARG A 46 -7.437 6.901 5.394 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.532 8.858 6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.595 8.859 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.636 10.304 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.415 9.886 4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.318 8.404 3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.448 9.739 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.525 11.215 4.068 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.458 9.417 1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.823 12.515 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.602 12.959 1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.657 9.858 0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.954 11.478 0.296 1.00 0.00 H new ATOM 701 N ASN A 47 -7.546 7.845 8.593 1.00 0.00 N ATOM 702 CA ASN A 47 -7.674 7.825 10.069 1.00 0.00 C ATOM 703 C ASN A 47 -6.435 7.147 10.662 1.00 0.00 C ATOM 704 O ASN A 47 -5.978 7.492 11.733 1.00 0.00 O ATOM 705 CB ASN A 47 -8.931 7.047 10.454 1.00 0.00 C ATOM 706 CG ASN A 47 -10.169 7.844 10.039 1.00 0.00 C ATOM 707 OD1 ASN A 47 -10.094 9.039 9.830 1.00 0.00 O ATOM 708 ND2 ASN A 47 -11.309 7.229 9.907 1.00 0.00 N ATOM 0 H ASN A 47 -8.265 7.328 8.087 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.752 8.841 10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.932 6.072 9.966 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.945 6.866 11.529 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.140 7.750 9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.371 6.226 10.083 1.00 0.00 H new ATOM 715 N TRP A 48 -5.891 6.177 9.975 1.00 0.00 N ATOM 716 CA TRP A 48 -4.686 5.467 10.502 1.00 0.00 C ATOM 717 C TRP A 48 -3.444 6.348 10.321 1.00 0.00 C ATOM 718 O TRP A 48 -2.334 5.860 10.234 1.00 0.00 O ATOM 719 CB TRP A 48 -4.499 4.152 9.729 1.00 0.00 C ATOM 720 CG TRP A 48 -5.582 3.186 10.098 1.00 0.00 C ATOM 721 CD1 TRP A 48 -6.906 3.385 9.897 1.00 0.00 C ATOM 722 CD2 TRP A 48 -5.455 1.877 10.723 1.00 0.00 C ATOM 723 NE1 TRP A 48 -7.598 2.283 10.366 1.00 0.00 N ATOM 724 CE2 TRP A 48 -6.748 1.326 10.883 1.00 0.00 C ATOM 725 CE3 TRP A 48 -4.354 1.124 11.166 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -6.942 0.071 11.458 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -4.546 -0.142 11.746 1.00 0.00 C ATOM 728 CH2 TRP A 48 -5.837 -0.666 11.893 1.00 0.00 C ATOM 0 H TRP A 48 -6.228 5.845 9.071 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.823 5.256 11.563 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.521 4.344 8.656 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.523 3.722 9.956 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.349 4.260 9.445 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.613 2.189 10.334 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.355 1.520 11.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.939 -0.329 11.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.693 -0.714 12.080 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.978 -1.638 12.342 1.00 0.00 H new ATOM 739 N GLY A 49 -3.614 7.646 10.283 1.00 0.00 N ATOM 740 CA GLY A 49 -2.435 8.548 10.129 1.00 0.00 C ATOM 741 C GLY A 49 -1.841 8.413 8.726 1.00 0.00 C ATOM 742 O GLY A 49 -1.040 7.539 8.463 1.00 0.00 O ATOM 0 H GLY A 49 -4.516 8.118 10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.734 9.581 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.680 8.301 10.876 1.00 0.00 H new ATOM 746 N HIS A 50 -2.220 9.284 7.826 1.00 0.00 N ATOM 747 CA HIS A 50 -1.674 9.227 6.434 1.00 0.00 C ATOM 748 C HIS A 50 -1.777 7.803 5.876 1.00 0.00 C ATOM 749 O HIS A 50 -2.767 7.428 5.279 1.00 0.00 O ATOM 750 CB HIS A 50 -0.206 9.663 6.453 1.00 0.00 C ATOM 751 CG HIS A 50 -0.116 11.114 6.846 1.00 0.00 C ATOM 752 ND1 HIS A 50 -0.616 12.128 6.045 1.00 0.00 N ATOM 753 CD2 HIS A 50 0.414 11.735 7.949 1.00 0.00 C ATOM 754 CE1 HIS A 50 -0.380 13.295 6.672 1.00 0.00 C ATOM 755 NE2 HIS A 50 0.247 13.112 7.838 1.00 0.00 N ATOM 0 H HIS A 50 -2.888 10.036 7.995 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.254 9.895 5.797 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.357 9.050 7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.241 9.513 5.470 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.889 11.231 8.778 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.663 14.261 6.281 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.540 13.828 8.503 1.00 0.00 H new ATOM 763 N GLY A 51 -0.757 7.004 6.066 1.00 0.00 N ATOM 764 CA GLY A 51 -0.783 5.602 5.550 1.00 0.00 C ATOM 765 C GLY A 51 0.210 4.755 6.344 1.00 0.00 C ATOM 766 O GLY A 51 1.177 4.245 5.812 1.00 0.00 O ATOM 0 H GLY A 51 0.097 7.265 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.787 5.187 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.526 5.587 4.491 1.00 0.00 H new ATOM 770 N ARG A 52 -0.017 4.613 7.619 1.00 0.00 N ATOM 771 CA ARG A 52 0.910 3.816 8.469 1.00 0.00 C ATOM 772 C ARG A 52 0.987 2.386 7.921 1.00 0.00 C ATOM 773 O ARG A 52 1.763 1.571 8.378 1.00 0.00 O ATOM 774 CB ARG A 52 0.363 3.807 9.907 1.00 0.00 C ATOM 775 CG ARG A 52 1.444 3.335 10.890 1.00 0.00 C ATOM 776 CD ARG A 52 0.932 3.419 12.343 1.00 0.00 C ATOM 777 NE ARG A 52 0.083 2.228 12.672 1.00 0.00 N ATOM 778 CZ ARG A 52 -0.785 2.274 13.662 1.00 0.00 C ATOM 779 NH1 ARG A 52 -1.118 3.413 14.208 1.00 0.00 N ATOM 780 NH2 ARG A 52 -1.340 1.178 14.091 1.00 0.00 N ATOM 0 H ARG A 52 -0.812 5.018 8.113 1.00 0.00 H new ATOM 0 HA ARG A 52 1.910 4.250 8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.026 4.807 10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.505 3.150 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.730 2.309 10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.338 3.949 10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.777 3.471 13.030 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.354 4.333 12.479 1.00 0.00 H new ATOM 0 HE ARG A 52 0.178 1.373 12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.705 4.281 13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.791 3.434 14.974 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.103 0.284 13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.012 1.213 14.857 1.00 0.00 H new ATOM 794 N LEU A 53 0.189 2.087 6.939 1.00 0.00 N ATOM 795 CA LEU A 53 0.204 0.726 6.342 1.00 0.00 C ATOM 796 C LEU A 53 1.583 0.481 5.732 1.00 0.00 C ATOM 797 O LEU A 53 2.126 -0.598 5.814 1.00 0.00 O ATOM 798 CB LEU A 53 -0.883 0.646 5.249 1.00 0.00 C ATOM 799 CG LEU A 53 -2.267 0.406 5.878 1.00 0.00 C ATOM 800 CD1 LEU A 53 -2.563 1.478 6.940 1.00 0.00 C ATOM 801 CD2 LEU A 53 -3.334 0.469 4.776 1.00 0.00 C ATOM 0 H LEU A 53 -0.480 2.733 6.520 1.00 0.00 H new ATOM 0 HA LEU A 53 0.002 -0.030 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.895 1.571 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.649 -0.160 4.554 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.280 -0.574 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.545 1.296 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.805 1.435 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.550 2.464 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.318 0.300 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.311 1.451 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.132 -0.299 4.029 1.00 0.00 H new ATOM 813 N SER A 54 2.145 1.482 5.113 1.00 0.00 N ATOM 814 CA SER A 54 3.485 1.322 4.480 1.00 0.00 C ATOM 815 C SER A 54 4.494 0.834 5.520 1.00 0.00 C ATOM 816 O SER A 54 5.412 0.101 5.212 1.00 0.00 O ATOM 817 CB SER A 54 3.947 2.673 3.940 1.00 0.00 C ATOM 818 OG SER A 54 4.300 3.516 5.029 1.00 0.00 O ATOM 0 H SER A 54 1.731 2.410 5.018 1.00 0.00 H new ATOM 0 HA SER A 54 3.416 0.596 3.670 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.801 2.540 3.276 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.154 3.133 3.351 1.00 0.00 H new ATOM 0 HG SER A 54 3.486 3.860 5.453 1.00 0.00 H new ATOM 824 N GLN A 55 4.337 1.243 6.749 1.00 0.00 N ATOM 825 CA GLN A 55 5.287 0.807 7.818 1.00 0.00 C ATOM 826 C GLN A 55 4.830 -0.544 8.376 1.00 0.00 C ATOM 827 O GLN A 55 5.633 -1.372 8.760 1.00 0.00 O ATOM 828 CB GLN A 55 5.287 1.843 8.945 1.00 0.00 C ATOM 829 CG GLN A 55 5.725 3.209 8.401 1.00 0.00 C ATOM 830 CD GLN A 55 7.185 3.143 7.941 1.00 0.00 C ATOM 831 OE1 GLN A 55 8.048 2.713 8.679 1.00 0.00 O ATOM 832 NE2 GLN A 55 7.497 3.558 6.744 1.00 0.00 N ATOM 0 H GLN A 55 3.590 1.863 7.062 1.00 0.00 H new ATOM 0 HA GLN A 55 6.291 0.714 7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.291 1.918 9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.961 1.526 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.085 3.501 7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.612 3.971 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.772 3.919 6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.466 3.521 6.428 1.00 0.00 H new ATOM 841 N MET A 56 3.546 -0.775 8.428 1.00 0.00 N ATOM 842 CA MET A 56 3.040 -2.070 8.970 1.00 0.00 C ATOM 843 C MET A 56 3.460 -3.220 8.046 1.00 0.00 C ATOM 844 O MET A 56 3.882 -4.266 8.497 1.00 0.00 O ATOM 845 CB MET A 56 1.511 -2.011 9.057 1.00 0.00 C ATOM 846 CG MET A 56 0.966 -3.303 9.674 1.00 0.00 C ATOM 847 SD MET A 56 -0.822 -3.146 9.910 1.00 0.00 S ATOM 848 CE MET A 56 -1.101 -4.780 10.635 1.00 0.00 C ATOM 0 H MET A 56 2.825 -0.123 8.119 1.00 0.00 H new ATOM 0 HA MET A 56 3.460 -2.241 9.961 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.207 -1.155 9.659 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.088 -1.868 8.063 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.186 -4.150 9.025 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.455 -3.498 10.629 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.160 -4.901 10.863 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.792 -5.550 9.927 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.519 -4.876 11.552 1.00 0.00 H new ATOM 858 N VAL A 57 3.333 -3.041 6.759 1.00 0.00 N ATOM 859 CA VAL A 57 3.711 -4.128 5.808 1.00 0.00 C ATOM 860 C VAL A 57 5.224 -4.345 5.844 1.00 0.00 C ATOM 861 O VAL A 57 5.724 -5.390 5.480 1.00 0.00 O ATOM 862 CB VAL A 57 3.286 -3.737 4.386 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.771 -3.509 4.345 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.017 -2.451 3.963 1.00 0.00 C ATOM 0 H VAL A 57 2.983 -2.188 6.323 1.00 0.00 H new ATOM 0 HA VAL A 57 3.207 -5.050 6.100 1.00 0.00 H new ATOM 0 HB VAL A 57 3.547 -4.541 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.472 -3.231 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.257 -4.425 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.505 -2.708 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.714 -2.175 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.763 -1.645 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.094 -2.620 3.985 1.00 0.00 H new ATOM 874 N LYS A 58 5.951 -3.358 6.271 1.00 0.00 N ATOM 875 CA LYS A 58 7.431 -3.486 6.325 1.00 0.00 C ATOM 876 C LYS A 58 7.804 -4.605 7.299 1.00 0.00 C ATOM 877 O LYS A 58 8.881 -5.163 7.239 1.00 0.00 O ATOM 878 CB LYS A 58 8.036 -2.159 6.792 1.00 0.00 C ATOM 879 CG LYS A 58 9.560 -2.216 6.679 1.00 0.00 C ATOM 880 CD LYS A 58 10.146 -0.844 7.020 1.00 0.00 C ATOM 881 CE LYS A 58 11.667 -0.889 6.876 1.00 0.00 C ATOM 882 NZ LYS A 58 12.224 -1.894 7.825 1.00 0.00 N ATOM 0 H LYS A 58 5.583 -2.461 6.588 1.00 0.00 H new ATOM 0 HA LYS A 58 7.821 -3.728 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.648 -1.339 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.746 -1.960 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.958 -2.972 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.850 -2.507 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.730 -0.084 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.875 -0.564 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.939 -1.149 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.092 0.094 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.230 -1.690 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.704 -1.848 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.128 -2.846 7.418 1.00 0.00 H new ATOM 896 N LYS A 59 6.917 -4.934 8.205 1.00 0.00 N ATOM 897 CA LYS A 59 7.202 -6.015 9.201 1.00 0.00 C ATOM 898 C LYS A 59 6.830 -7.378 8.608 1.00 0.00 C ATOM 899 O LYS A 59 6.874 -8.387 9.285 1.00 0.00 O ATOM 900 CB LYS A 59 6.370 -5.760 10.461 1.00 0.00 C ATOM 901 CG LYS A 59 6.862 -4.477 11.140 1.00 0.00 C ATOM 902 CD LYS A 59 5.942 -4.104 12.313 1.00 0.00 C ATOM 903 CE LYS A 59 6.059 -5.129 13.454 1.00 0.00 C ATOM 904 NZ LYS A 59 5.505 -4.532 14.700 1.00 0.00 N ATOM 0 H LYS A 59 6.000 -4.497 8.299 1.00 0.00 H new ATOM 0 HA LYS A 59 8.263 -6.014 9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.315 -5.667 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.457 -6.604 11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.882 -4.616 11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.888 -3.662 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.202 -3.112 12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.909 -4.055 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.517 -6.040 13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.102 -5.410 13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.580 -5.219 15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.041 -3.675 14.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.506 -4.285 14.552 1.00 0.00 H new ATOM 918 N LEU A 60 6.471 -7.423 7.346 1.00 0.00 N ATOM 919 CA LEU A 60 6.102 -8.729 6.704 1.00 0.00 C ATOM 920 C LEU A 60 7.335 -9.328 6.025 1.00 0.00 C ATOM 921 O LEU A 60 7.340 -10.478 5.654 1.00 0.00 O ATOM 922 CB LEU A 60 5.009 -8.485 5.656 1.00 0.00 C ATOM 923 CG LEU A 60 3.712 -8.000 6.340 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.698 -7.572 5.266 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.093 -9.120 7.223 1.00 0.00 C ATOM 0 H LEU A 60 6.417 -6.611 6.731 1.00 0.00 H new ATOM 0 HA LEU A 60 5.734 -9.420 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.347 -7.742 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.815 -9.403 5.102 1.00 0.00 H new ATOM 0 HG LEU A 60 3.956 -7.153 6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.782 -7.229 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.119 -6.763 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.473 -8.420 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.181 -8.751 7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.857 -9.984 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.806 -9.411 7.994 1.00 0.00 H new ATOM 937 N ASP A 61 8.385 -8.558 5.898 1.00 0.00 N ATOM 938 CA ASP A 61 9.654 -9.057 5.272 1.00 0.00 C ATOM 939 C ASP A 61 9.438 -9.490 3.809 1.00 0.00 C ATOM 940 O ASP A 61 10.058 -8.955 2.910 1.00 0.00 O ATOM 941 CB ASP A 61 10.216 -10.236 6.087 1.00 0.00 C ATOM 942 CG ASP A 61 11.667 -10.513 5.671 1.00 0.00 C ATOM 943 OD1 ASP A 61 12.409 -9.558 5.515 1.00 0.00 O ATOM 944 OD2 ASP A 61 12.008 -11.674 5.514 1.00 0.00 O ATOM 0 H ASP A 61 8.420 -7.586 6.206 1.00 0.00 H new ATOM 0 HA ASP A 61 10.369 -8.234 5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.171 -10.008 7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.606 -11.125 5.925 1.00 0.00 H new ATOM 949 N PHE A 62 8.603 -10.472 3.555 1.00 0.00 N ATOM 950 CA PHE A 62 8.412 -10.937 2.145 1.00 0.00 C ATOM 951 C PHE A 62 7.760 -9.861 1.264 1.00 0.00 C ATOM 952 O PHE A 62 7.203 -10.164 0.228 1.00 0.00 O ATOM 953 CB PHE A 62 7.573 -12.225 2.110 1.00 0.00 C ATOM 954 CG PHE A 62 6.237 -12.004 2.791 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.146 -11.514 2.060 1.00 0.00 C ATOM 956 CD2 PHE A 62 6.092 -12.291 4.154 1.00 0.00 C ATOM 957 CE1 PHE A 62 3.916 -11.310 2.694 1.00 0.00 C ATOM 958 CE2 PHE A 62 4.860 -12.087 4.786 1.00 0.00 C ATOM 959 CZ PHE A 62 3.772 -11.595 4.057 1.00 0.00 C ATOM 0 H PHE A 62 8.051 -10.966 4.256 1.00 0.00 H new ATOM 0 HA PHE A 62 9.403 -11.141 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.415 -12.536 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 62 8.112 -13.032 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.255 -11.294 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.931 -12.670 4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.076 -10.932 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.749 -12.310 5.837 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.822 -11.435 4.545 1.00 0.00 H new ATOM 969 N LEU A 63 7.853 -8.607 1.647 1.00 0.00 N ATOM 970 CA LEU A 63 7.268 -7.493 0.823 1.00 0.00 C ATOM 971 C LEU A 63 8.268 -6.332 0.763 1.00 0.00 C ATOM 972 O LEU A 63 8.826 -5.922 1.760 1.00 0.00 O ATOM 973 CB LEU A 63 5.932 -7.032 1.462 1.00 0.00 C ATOM 974 CG LEU A 63 4.751 -7.931 0.985 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.635 -7.945 2.035 1.00 0.00 C ATOM 976 CD2 LEU A 63 4.172 -7.386 -0.331 1.00 0.00 C ATOM 0 H LEU A 63 8.314 -8.303 2.505 1.00 0.00 H new ATOM 0 HA LEU A 63 7.070 -7.839 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.010 -7.073 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.735 -5.994 1.195 1.00 0.00 H new ATOM 0 HG LEU A 63 5.132 -8.942 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.817 -8.577 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.024 -8.338 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.269 -6.930 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.348 -8.021 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.809 -6.370 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.949 -7.380 -1.096 1.00 0.00 H new ATOM 988 N THR A 64 8.490 -5.802 -0.416 1.00 0.00 N ATOM 989 CA THR A 64 9.444 -4.662 -0.587 1.00 0.00 C ATOM 990 C THR A 64 8.693 -3.348 -0.380 1.00 0.00 C ATOM 991 O THR A 64 7.582 -3.186 -0.845 1.00 0.00 O ATOM 992 CB THR A 64 10.010 -4.702 -2.011 1.00 0.00 C ATOM 993 OG1 THR A 64 10.638 -5.955 -2.233 1.00 0.00 O ATOM 994 CG2 THR A 64 11.034 -3.579 -2.202 1.00 0.00 C ATOM 0 H THR A 64 8.044 -6.116 -1.278 1.00 0.00 H new ATOM 0 HA THR A 64 10.255 -4.739 0.138 1.00 0.00 H new ATOM 0 HB THR A 64 9.195 -4.566 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.999 -5.983 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.430 -3.616 -3.217 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.552 -2.615 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.849 -3.705 -1.490 1.00 0.00 H new ATOM 1002 N VAL A 65 9.293 -2.409 0.317 1.00 0.00 N ATOM 1003 CA VAL A 65 8.633 -1.081 0.574 1.00 0.00 C ATOM 1004 C VAL A 65 9.545 0.030 0.064 1.00 0.00 C ATOM 1005 O VAL A 65 10.729 0.045 0.338 1.00 0.00 O ATOM 1006 CB VAL A 65 8.408 -0.910 2.079 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.756 0.453 2.362 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.483 -2.024 2.570 1.00 0.00 C ATOM 0 H VAL A 65 10.223 -2.506 0.724 1.00 0.00 H new ATOM 0 HA VAL A 65 7.674 -1.035 0.059 1.00 0.00 H new ATOM 0 HB VAL A 65 9.366 -0.960 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.600 0.566 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.408 1.250 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.797 0.511 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.316 -1.912 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.529 -1.963 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.944 -2.992 2.374 1.00 0.00 H new ATOM 1018 N GLN A 66 8.994 0.966 -0.670 1.00 0.00 N ATOM 1019 CA GLN A 66 9.796 2.109 -1.213 1.00 0.00 C ATOM 1020 C GLN A 66 9.056 3.407 -0.910 1.00 0.00 C ATOM 1021 O GLN A 66 7.865 3.516 -1.129 1.00 0.00 O ATOM 1022 CB GLN A 66 9.957 1.950 -2.726 1.00 0.00 C ATOM 1023 CG GLN A 66 10.844 0.738 -3.019 1.00 0.00 C ATOM 1024 CD GLN A 66 10.984 0.562 -4.533 1.00 0.00 C ATOM 1025 OE1 GLN A 66 10.475 1.355 -5.298 1.00 0.00 O ATOM 1026 NE2 GLN A 66 11.667 -0.446 -5.003 1.00 0.00 N ATOM 0 H GLN A 66 8.005 0.987 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 66 10.783 2.126 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.981 1.822 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.400 2.850 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.826 0.874 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.410 -0.159 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.096 -1.114 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.772 -0.566 -6.011 1.00 0.00 H new ATOM 1035 N GLU A 67 9.758 4.387 -0.390 1.00 0.00 N ATOM 1036 CA GLU A 67 9.130 5.706 -0.041 1.00 0.00 C ATOM 1037 C GLU A 67 9.822 6.822 -0.827 1.00 0.00 C ATOM 1038 O GLU A 67 11.021 7.000 -0.736 1.00 0.00 O ATOM 1039 CB GLU A 67 9.328 5.966 1.454 1.00 0.00 C ATOM 1040 CG GLU A 67 8.608 4.893 2.277 1.00 0.00 C ATOM 1041 CD GLU A 67 7.098 5.018 2.107 1.00 0.00 C ATOM 1042 OE1 GLU A 67 6.646 6.085 1.728 1.00 0.00 O ATOM 1043 OE2 GLU A 67 6.420 4.041 2.367 1.00 0.00 O ATOM 0 H GLU A 67 10.756 4.329 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 67 8.068 5.684 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.391 5.965 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.944 6.952 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.935 3.903 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.872 4.995 3.330 1.00 0.00 H new ATOM 1050 N SER A 68 9.067 7.579 -1.592 1.00 0.00 N ATOM 1051 CA SER A 68 9.649 8.710 -2.400 1.00 0.00 C ATOM 1052 C SER A 68 9.183 10.043 -1.793 1.00 0.00 C ATOM 1053 O SER A 68 8.025 10.207 -1.467 1.00 0.00 O ATOM 1054 CB SER A 68 9.152 8.595 -3.843 1.00 0.00 C ATOM 1055 OG SER A 68 9.581 9.730 -4.585 1.00 0.00 O ATOM 0 H SER A 68 8.059 7.462 -1.694 1.00 0.00 H new ATOM 0 HA SER A 68 10.738 8.665 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.536 7.683 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.064 8.526 -3.860 1.00 0.00 H new ATOM 0 HG SER A 68 9.264 9.655 -5.509 1.00 0.00 H new ATOM 1061 N ARG A 69 10.070 10.995 -1.618 1.00 0.00 N ATOM 1062 CA ARG A 69 9.642 12.297 -1.009 1.00 0.00 C ATOM 1063 C ARG A 69 8.814 13.071 -2.045 1.00 0.00 C ATOM 1064 O ARG A 69 9.189 13.184 -3.197 1.00 0.00 O ATOM 1065 CB ARG A 69 10.874 13.128 -0.589 1.00 0.00 C ATOM 1066 CG ARG A 69 11.602 12.484 0.619 1.00 0.00 C ATOM 1067 CD ARG A 69 12.076 11.050 0.256 1.00 0.00 C ATOM 1068 NE ARG A 69 13.207 10.483 1.098 1.00 0.00 N ATOM 1069 CZ ARG A 69 14.210 11.210 1.539 1.00 0.00 C ATOM 1070 NH1 ARG A 69 14.053 12.326 2.194 1.00 0.00 N ATOM 1071 NH2 ARG A 69 15.402 10.675 1.539 1.00 0.00 N ATOM 0 H ARG A 69 11.057 10.930 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 69 9.043 12.105 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.563 13.211 -1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.562 14.140 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.457 13.096 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.933 12.447 1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.222 10.377 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.391 11.047 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 69 13.187 9.490 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.115 12.676 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.868 12.849 2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.533 9.721 1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.202 11.212 1.875 1.00 0.00 H new ATOM 1085 N ASN A 70 7.679 13.593 -1.646 1.00 0.00 N ATOM 1086 CA ASN A 70 6.800 14.353 -2.598 1.00 0.00 C ATOM 1087 C ASN A 70 6.048 15.438 -1.825 1.00 0.00 C ATOM 1088 O ASN A 70 4.971 15.217 -1.301 1.00 0.00 O ATOM 1089 CB ASN A 70 5.788 13.390 -3.240 1.00 0.00 C ATOM 1090 CG ASN A 70 4.919 14.146 -4.248 1.00 0.00 C ATOM 1091 OD1 ASN A 70 4.978 15.356 -4.334 1.00 0.00 O ATOM 1092 ND2 ASN A 70 4.102 13.480 -5.021 1.00 0.00 N ATOM 0 H ASN A 70 7.319 13.526 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 70 7.410 14.810 -3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.313 12.575 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.161 12.941 -2.470 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.517 13.977 -5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.049 12.464 -4.952 1.00 0.00 H new ATOM 1099 N GLY A 71 6.605 16.613 -1.747 1.00 0.00 N ATOM 1100 CA GLY A 71 5.927 17.712 -1.006 1.00 0.00 C ATOM 1101 C GLY A 71 5.930 17.403 0.494 1.00 0.00 C ATOM 1102 O GLY A 71 6.929 16.992 1.051 1.00 0.00 O ATOM 0 H GLY A 71 7.502 16.860 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.436 18.658 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.903 17.825 -1.362 1.00 0.00 H new ATOM 1106 N SER A 72 4.819 17.614 1.156 1.00 0.00 N ATOM 1107 CA SER A 72 4.747 17.352 2.631 1.00 0.00 C ATOM 1108 C SER A 72 4.393 15.885 2.895 1.00 0.00 C ATOM 1109 O SER A 72 4.354 15.452 4.030 1.00 0.00 O ATOM 1110 CB SER A 72 3.669 18.241 3.249 1.00 0.00 C ATOM 1111 OG SER A 72 2.393 17.826 2.777 1.00 0.00 O ATOM 0 H SER A 72 3.954 17.958 0.738 1.00 0.00 H new ATOM 0 HA SER A 72 5.718 17.572 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.707 18.176 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.846 19.284 2.986 1.00 0.00 H new ATOM 0 HG SER A 72 1.698 18.393 3.172 1.00 0.00 H new ATOM 1117 N LYS A 73 4.125 15.120 1.862 1.00 0.00 N ATOM 1118 CA LYS A 73 3.762 13.671 2.040 1.00 0.00 C ATOM 1119 C LYS A 73 4.588 12.830 1.071 1.00 0.00 C ATOM 1120 O LYS A 73 4.736 13.164 -0.083 1.00 0.00 O ATOM 1121 CB LYS A 73 2.269 13.487 1.750 1.00 0.00 C ATOM 1122 CG LYS A 73 1.863 12.038 2.035 1.00 0.00 C ATOM 1123 CD LYS A 73 0.346 11.891 1.876 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.064 10.450 2.188 1.00 0.00 C ATOM 1125 NZ LYS A 73 0.493 9.542 1.148 1.00 0.00 N ATOM 0 H LYS A 73 4.142 15.438 0.893 1.00 0.00 H new ATOM 0 HA LYS A 73 3.970 13.354 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.682 14.167 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.057 13.737 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.378 11.364 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.162 11.757 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.169 12.580 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.049 12.153 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.302 10.161 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.150 10.367 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.016 8.635 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.382 9.978 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.503 9.377 1.336 1.00 0.00 H new ATOM 1139 N LEU A 74 5.125 11.727 1.530 1.00 0.00 N ATOM 1140 CA LEU A 74 5.944 10.848 0.635 1.00 0.00 C ATOM 1141 C LEU A 74 4.996 9.851 -0.054 1.00 0.00 C ATOM 1142 O LEU A 74 3.906 9.594 0.415 1.00 0.00 O ATOM 1143 CB LEU A 74 7.030 10.090 1.462 1.00 0.00 C ATOM 1144 CG LEU A 74 6.599 9.912 2.931 1.00 0.00 C ATOM 1145 CD1 LEU A 74 5.315 9.065 3.007 1.00 0.00 C ATOM 1146 CD2 LEU A 74 7.725 9.207 3.705 1.00 0.00 C ATOM 0 H LEU A 74 5.032 11.395 2.490 1.00 0.00 H new ATOM 0 HA LEU A 74 6.459 11.450 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.213 9.113 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.970 10.641 1.422 1.00 0.00 H new ATOM 0 HG LEU A 74 6.404 10.891 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.019 8.945 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.517 9.565 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.499 8.085 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.426 9.078 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.917 8.231 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.631 9.811 3.660 1.00 0.00 H new ATOM 1158 N HIS A 75 5.403 9.293 -1.171 1.00 0.00 N ATOM 1159 CA HIS A 75 4.533 8.308 -1.899 1.00 0.00 C ATOM 1160 C HIS A 75 4.979 6.895 -1.530 1.00 0.00 C ATOM 1161 O HIS A 75 5.989 6.409 -2.007 1.00 0.00 O ATOM 1162 CB HIS A 75 4.688 8.505 -3.411 1.00 0.00 C ATOM 1163 CG HIS A 75 3.751 7.580 -4.144 1.00 0.00 C ATOM 1164 ND1 HIS A 75 4.174 6.779 -5.196 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.411 7.316 -3.991 1.00 0.00 C ATOM 1166 CE1 HIS A 75 3.107 6.082 -5.631 1.00 0.00 C ATOM 1167 NE2 HIS A 75 2.006 6.372 -4.930 1.00 0.00 N ATOM 0 H HIS A 75 6.304 9.477 -1.613 1.00 0.00 H new ATOM 0 HA HIS A 75 3.490 8.459 -1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.473 9.540 -3.676 1.00 0.00 H new ATOM 0 HB3 HIS A 75 5.717 8.306 -3.709 1.00 0.00 H new ATOM 0 HD1 HIS A 75 5.121 6.728 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.769 7.773 -3.253 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.137 5.375 -6.447 1.00 0.00 H new ATOM 1175 N SER A 76 4.238 6.226 -0.687 1.00 0.00 N ATOM 1176 CA SER A 76 4.613 4.838 -0.289 1.00 0.00 C ATOM 1177 C SER A 76 4.247 3.875 -1.417 1.00 0.00 C ATOM 1178 O SER A 76 3.311 4.099 -2.157 1.00 0.00 O ATOM 1179 CB SER A 76 3.836 4.436 0.965 1.00 0.00 C ATOM 1180 OG SER A 76 3.902 3.023 1.111 1.00 0.00 O ATOM 0 H SER A 76 3.386 6.583 -0.255 1.00 0.00 H new ATOM 0 HA SER A 76 5.684 4.798 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.256 4.926 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.798 4.759 0.886 1.00 0.00 H new ATOM 0 HG SER A 76 4.834 2.730 1.036 1.00 0.00 H new ATOM 1186 N GLU A 77 4.967 2.792 -1.549 1.00 0.00 N ATOM 1187 CA GLU A 77 4.650 1.788 -2.616 1.00 0.00 C ATOM 1188 C GLU A 77 5.025 0.397 -2.102 1.00 0.00 C ATOM 1189 O GLU A 77 6.065 0.217 -1.502 1.00 0.00 O ATOM 1190 CB GLU A 77 5.460 2.080 -3.889 1.00 0.00 C ATOM 1191 CG GLU A 77 4.980 3.381 -4.543 1.00 0.00 C ATOM 1192 CD GLU A 77 5.764 3.627 -5.839 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.615 2.814 -6.167 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.502 4.629 -6.482 1.00 0.00 O ATOM 0 H GLU A 77 5.767 2.556 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 77 3.587 1.842 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.519 2.158 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.356 1.253 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.913 3.319 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.119 4.217 -3.858 1.00 0.00 H new ATOM 1201 N ILE A 78 4.187 -0.588 -2.347 1.00 0.00 N ATOM 1202 CA ILE A 78 4.485 -1.991 -1.888 1.00 0.00 C ATOM 1203 C ILE A 78 4.604 -2.918 -3.102 1.00 0.00 C ATOM 1204 O ILE A 78 3.922 -2.756 -4.097 1.00 0.00 O ATOM 1205 CB ILE A 78 3.346 -2.474 -0.978 1.00 0.00 C ATOM 1206 CG1 ILE A 78 1.992 -2.372 -1.708 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.310 -1.609 0.282 1.00 0.00 C ATOM 1208 CD1 ILE A 78 0.884 -3.000 -0.856 1.00 0.00 C ATOM 0 H ILE A 78 3.305 -0.481 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 78 5.426 -2.004 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 78 3.522 -3.516 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.757 -1.327 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.051 -2.878 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.503 -1.947 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.260 -1.694 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.141 -0.569 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.068 -2.922 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.114 -4.050 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.816 -2.475 0.097 1.00 0.00 H new ATOM 1220 N ARG A 79 5.465 -3.899 -3.021 1.00 0.00 N ATOM 1221 CA ARG A 79 5.636 -4.859 -4.149 1.00 0.00 C ATOM 1222 C ARG A 79 6.269 -6.140 -3.608 1.00 0.00 C ATOM 1223 O ARG A 79 7.123 -6.103 -2.742 1.00 0.00 O ATOM 1224 CB ARG A 79 6.532 -4.252 -5.237 1.00 0.00 C ATOM 1225 CG ARG A 79 6.589 -5.205 -6.438 1.00 0.00 C ATOM 1226 CD ARG A 79 7.374 -4.568 -7.596 1.00 0.00 C ATOM 1227 NE ARG A 79 7.080 -5.318 -8.851 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.732 -5.047 -9.950 1.00 0.00 C ATOM 1229 NH1 ARG A 79 8.754 -4.235 -9.923 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.365 -5.594 -11.075 1.00 0.00 N ATOM 0 H ARG A 79 6.062 -4.077 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 79 4.664 -5.080 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.142 -3.282 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.535 -4.082 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.061 -6.142 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.578 -5.447 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.095 -3.520 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.443 -4.592 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 79 6.366 -6.046 -8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.045 -3.811 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.261 -4.025 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.570 -6.232 -11.096 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.873 -5.383 -11.934 1.00 0.00 H new ATOM 1244 N LEU A 80 5.859 -7.273 -4.104 1.00 0.00 N ATOM 1245 CA LEU A 80 6.442 -8.553 -3.612 1.00 0.00 C ATOM 1246 C LEU A 80 7.896 -8.647 -4.078 1.00 0.00 C ATOM 1247 O LEU A 80 8.223 -8.328 -5.205 1.00 0.00 O ATOM 1248 CB LEU A 80 5.625 -9.728 -4.179 1.00 0.00 C ATOM 1249 CG LEU A 80 4.230 -9.804 -3.498 1.00 0.00 C ATOM 1250 CD1 LEU A 80 3.284 -10.656 -4.358 1.00 0.00 C ATOM 1251 CD2 LEU A 80 4.333 -10.450 -2.098 1.00 0.00 C ATOM 0 H LEU A 80 5.147 -7.369 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 80 6.411 -8.590 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.504 -9.608 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.164 -10.662 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 80 3.847 -8.789 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.306 -10.709 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.182 -10.203 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.692 -11.661 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.344 -10.491 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.732 -11.460 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.996 -9.855 -1.471 1.00 0.00 H new ATOM 1263 N ARG A 81 8.769 -9.075 -3.208 1.00 0.00 N ATOM 1264 CA ARG A 81 10.210 -9.191 -3.570 1.00 0.00 C ATOM 1265 C ARG A 81 10.407 -10.311 -4.593 1.00 0.00 C ATOM 1266 O ARG A 81 11.518 -10.680 -4.919 1.00 0.00 O ATOM 1267 CB ARG A 81 11.024 -9.488 -2.305 1.00 0.00 C ATOM 1268 CG ARG A 81 10.562 -10.806 -1.664 1.00 0.00 C ATOM 1269 CD ARG A 81 11.413 -11.098 -0.426 1.00 0.00 C ATOM 1270 NE ARG A 81 10.837 -12.260 0.308 1.00 0.00 N ATOM 1271 CZ ARG A 81 11.517 -12.845 1.260 1.00 0.00 C ATOM 1272 NH1 ARG A 81 12.772 -12.549 1.448 1.00 0.00 N ATOM 1273 NH2 ARG A 81 10.939 -13.732 2.025 1.00 0.00 N ATOM 0 H ARG A 81 8.543 -9.352 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 81 10.550 -8.254 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.084 -9.550 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.911 -8.671 -1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.510 -10.739 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.652 -11.622 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.440 -11.313 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.443 -10.223 0.223 1.00 0.00 H new ATOM 0 HE ARG A 81 9.907 -12.601 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.228 -11.859 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.298 -13.008 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.957 -13.968 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.469 -14.188 2.767 1.00 0.00 H new