USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 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 71 THR OG1 : rot 172:sc= 0.487 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= 0.449 K(o=0.94,f=-3.5!) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.359 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.294 K(o=0.65,f=0) USER MOD Set 3.1: A 36 LYS NZ :NH3+ 144:sc= 2.17 (180deg=0.854) USER MOD Set 3.2: A 53 THR OG1 : rot 76:sc= 1.8 USER MOD Single : A 8 ASN : amide:sc= 0.507 K(o=0.51,f=-1.5) USER MOD Single : A 9 GLN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 15 ASN : amide:sc= 0.559 K(o=0.56,f=-0.33) USER MOD Single : A 20 THR OG1 : rot 89:sc= 0.938 USER MOD Single : A 21 ASN : amide:sc= 0.453 K(o=0.45,f=-3.8!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 166:sc= 0 (180deg=-0.00681) USER MOD Single : A 26 SER OG : rot 95:sc= 1.27 USER MOD Single : A 27 MET CE :methyl 174:sc= 0 (180deg=-0.0624) USER MOD Single : A 30 ASN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : A 31 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.807 K(o=0.81,f=-2.5!) USER MOD Single : A 58 SER OG : rot 73:sc= -0.144 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 1.19 (180deg=0.0902) USER MOD Single : A 66 GLN : amide:sc= 0.791 K(o=0.79,f=-0.18) USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.714) USER MOD Single : A 76 MET CE :methyl 176:sc= -0.184 (180deg=-0.249) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 35:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 12.038 6.345 9.238 1.00 0.00 N ATOM 91 CA PRO A 7 13.059 6.910 8.362 1.00 0.00 C ATOM 92 C PRO A 7 14.418 6.209 8.472 1.00 0.00 C ATOM 93 O PRO A 7 14.885 5.901 9.573 1.00 0.00 O ATOM 94 CB PRO A 7 13.130 8.399 8.707 1.00 0.00 C ATOM 95 CG PRO A 7 11.710 8.703 9.179 1.00 0.00 C ATOM 96 CD PRO A 7 11.289 7.412 9.885 1.00 0.00 C ATOM 0 HA PRO A 7 12.788 6.760 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.867 8.600 9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.407 9.002 7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.685 9.558 9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.050 8.938 8.344 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.514 7.458 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.215 7.248 9.793 1.00 0.00 H new ATOM 104 N ASN A 8 15.062 5.989 7.322 1.00 0.00 N ATOM 105 CA ASN A 8 16.359 5.334 7.199 1.00 0.00 C ATOM 106 C ASN A 8 17.135 6.050 6.097 1.00 0.00 C ATOM 107 O ASN A 8 16.535 6.537 5.140 1.00 0.00 O ATOM 108 CB ASN A 8 16.197 3.839 6.855 1.00 0.00 C ATOM 109 CG ASN A 8 17.555 3.172 6.644 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.525 3.473 7.332 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.674 2.306 5.656 1.00 0.00 N ATOM 0 H ASN A 8 14.677 6.274 6.421 1.00 0.00 H new ATOM 0 HA ASN A 8 16.894 5.390 8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.661 3.334 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.593 3.734 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.579 1.880 5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.861 2.063 5.090 1.00 0.00 H new ATOM 118 N GLN A 9 18.461 6.104 6.225 1.00 0.00 N ATOM 119 CA GLN A 9 19.360 6.803 5.312 1.00 0.00 C ATOM 120 C GLN A 9 19.537 6.109 3.945 1.00 0.00 C ATOM 121 O GLN A 9 20.414 6.497 3.169 1.00 0.00 O ATOM 122 CB GLN A 9 20.699 7.087 6.017 1.00 0.00 C ATOM 123 CG GLN A 9 21.572 5.836 6.200 1.00 0.00 C ATOM 124 CD GLN A 9 22.932 6.138 6.825 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.294 5.554 7.845 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.728 7.004 6.218 1.00 0.00 N ATOM 0 H GLN A 9 18.953 5.647 6.993 1.00 0.00 H new ATOM 0 HA GLN A 9 18.890 7.753 5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.254 7.827 5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.500 7.528 6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.042 5.120 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.722 5.361 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.413 7.480 5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.656 7.195 6.595 1.00 0.00 H new ATOM 135 N ILE A 10 18.764 5.059 3.652 1.00 0.00 N ATOM 136 CA ILE A 10 18.805 4.327 2.392 1.00 0.00 C ATOM 137 C ILE A 10 17.347 4.134 1.985 1.00 0.00 C ATOM 138 O ILE A 10 16.493 3.813 2.818 1.00 0.00 O ATOM 139 CB ILE A 10 19.569 2.980 2.514 1.00 0.00 C ATOM 140 CG1 ILE A 10 20.949 3.157 3.192 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.739 2.317 1.129 1.00 0.00 C ATOM 142 CD1 ILE A 10 21.791 1.878 3.289 1.00 0.00 C ATOM 0 H ILE A 10 18.075 4.688 4.306 1.00 0.00 H new ATOM 0 HA ILE A 10 19.358 4.879 1.632 1.00 0.00 H new ATOM 0 HB ILE A 10 18.967 2.328 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.516 3.906 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.796 3.551 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.277 1.375 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.758 2.126 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.302 2.982 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.739 2.103 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.251 1.130 3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 10 21.982 1.491 2.288 1.00 0.00 H new ATOM 154 N LEU A 11 17.072 4.316 0.698 1.00 0.00 N ATOM 155 CA LEU A 11 15.757 4.277 0.077 1.00 0.00 C ATOM 156 C LEU A 11 15.807 3.207 -1.008 1.00 0.00 C ATOM 157 O LEU A 11 16.841 3.030 -1.657 1.00 0.00 O ATOM 158 CB LEU A 11 15.453 5.649 -0.562 1.00 0.00 C ATOM 159 CG LEU A 11 14.725 6.696 0.303 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.281 6.831 1.719 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.819 8.067 -0.383 1.00 0.00 C ATOM 0 H LEU A 11 17.810 4.507 0.020 1.00 0.00 H new ATOM 0 HA LEU A 11 14.981 4.053 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.398 6.083 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.854 5.477 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 11 13.695 6.350 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.714 7.587 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.197 5.875 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.329 7.127 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.306 8.813 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.866 8.347 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.351 8.015 -1.366 1.00 0.00 H new ATOM 173 N PHE A 12 14.680 2.539 -1.231 1.00 0.00 N ATOM 174 CA PHE A 12 14.455 1.628 -2.339 1.00 0.00 C ATOM 175 C PHE A 12 13.377 2.268 -3.196 1.00 0.00 C ATOM 176 O PHE A 12 12.399 2.808 -2.669 1.00 0.00 O ATOM 177 CB PHE A 12 14.001 0.255 -1.833 1.00 0.00 C ATOM 178 CG PHE A 12 13.655 -0.721 -2.946 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.632 -1.088 -3.889 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.357 -1.256 -3.054 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.334 -2.011 -4.904 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.065 -2.203 -4.054 1.00 0.00 C ATOM 183 CZ PHE A 12 13.053 -2.580 -4.981 1.00 0.00 C ATOM 0 H PHE A 12 13.869 2.623 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 12 15.370 1.464 -2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 12 14.791 -0.175 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.130 0.384 -1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.620 -0.656 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.584 -0.939 -2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.090 -2.283 -5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.079 -2.641 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.827 -3.305 -5.749 1.00 0.00 H new ATOM 193 N LEU A 13 13.566 2.226 -4.507 1.00 0.00 N ATOM 194 CA LEU A 13 12.775 2.955 -5.477 1.00 0.00 C ATOM 195 C LEU A 13 12.269 1.970 -6.514 1.00 0.00 C ATOM 196 O LEU A 13 12.999 1.058 -6.902 1.00 0.00 O ATOM 197 CB LEU A 13 13.645 4.011 -6.176 1.00 0.00 C ATOM 198 CG LEU A 13 13.640 5.397 -5.524 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.358 5.416 -4.172 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.347 6.372 -6.464 1.00 0.00 C ATOM 0 H LEU A 13 14.301 1.663 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 13 11.944 3.452 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.672 3.647 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.308 4.111 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 13 12.602 5.679 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.324 6.423 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.866 4.724 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.397 5.115 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.355 7.367 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.372 6.040 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.819 6.406 -7.417 1.00 0.00 H new ATOM 212 N THR A 14 11.052 2.194 -6.998 1.00 0.00 N ATOM 213 CA THR A 14 10.374 1.331 -7.963 1.00 0.00 C ATOM 214 C THR A 14 9.576 2.173 -8.974 1.00 0.00 C ATOM 215 O THR A 14 9.485 3.398 -8.843 1.00 0.00 O ATOM 216 CB THR A 14 9.490 0.311 -7.210 1.00 0.00 C ATOM 217 OG1 THR A 14 8.646 0.946 -6.275 1.00 0.00 O ATOM 218 CG2 THR A 14 10.281 -0.735 -6.427 1.00 0.00 C ATOM 0 H THR A 14 10.494 3.002 -6.724 1.00 0.00 H new ATOM 0 HA THR A 14 11.110 0.770 -8.539 1.00 0.00 H new ATOM 0 HB THR A 14 8.924 -0.179 -8.003 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.100 0.273 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.590 -1.414 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.913 -1.300 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.904 -0.238 -5.683 1.00 0.00 H new ATOM 226 N ASN A 15 8.981 1.512 -9.979 1.00 0.00 N ATOM 227 CA ASN A 15 8.232 2.124 -11.085 1.00 0.00 C ATOM 228 C ASN A 15 9.051 3.186 -11.835 1.00 0.00 C ATOM 229 O ASN A 15 8.528 4.207 -12.286 1.00 0.00 O ATOM 230 CB ASN A 15 6.866 2.634 -10.595 1.00 0.00 C ATOM 231 CG ASN A 15 5.943 3.015 -11.751 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.711 2.225 -12.662 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.367 4.205 -11.724 1.00 0.00 N ATOM 0 H ASN A 15 9.010 0.495 -10.045 1.00 0.00 H new ATOM 0 HA ASN A 15 8.035 1.351 -11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.388 1.863 -9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.014 3.500 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.721 4.476 -12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.568 4.852 -10.961 1.00 0.00 H new ATOM 240 N LEU A 16 10.361 2.961 -11.931 1.00 0.00 N ATOM 241 CA LEU A 16 11.293 3.832 -12.640 1.00 0.00 C ATOM 242 C LEU A 16 11.263 3.476 -14.135 1.00 0.00 C ATOM 243 O LEU A 16 10.769 2.397 -14.482 1.00 0.00 O ATOM 244 CB LEU A 16 12.711 3.661 -12.059 1.00 0.00 C ATOM 245 CG LEU A 16 12.801 3.613 -10.522 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.253 3.389 -10.111 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.262 4.881 -9.853 1.00 0.00 C ATOM 0 H LEU A 16 10.812 2.150 -11.508 1.00 0.00 H new ATOM 0 HA LEU A 16 11.002 4.875 -12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.139 2.742 -12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.332 4.483 -12.416 1.00 0.00 H new ATOM 0 HG LEU A 16 12.174 2.788 -10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.322 3.354 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.608 2.446 -10.527 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.868 4.206 -10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.352 4.788 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.836 5.743 -10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.214 5.016 -10.120 1.00 0.00 H new ATOM 259 N PRO A 17 11.779 4.340 -15.028 1.00 0.00 N ATOM 260 CA PRO A 17 11.988 3.999 -16.427 1.00 0.00 C ATOM 261 C PRO A 17 12.724 2.660 -16.576 1.00 0.00 C ATOM 262 O PRO A 17 13.631 2.340 -15.803 1.00 0.00 O ATOM 263 CB PRO A 17 12.796 5.147 -17.035 1.00 0.00 C ATOM 264 CG PRO A 17 12.514 6.334 -16.120 1.00 0.00 C ATOM 265 CD PRO A 17 12.152 5.720 -14.771 1.00 0.00 C ATOM 0 HA PRO A 17 11.035 3.875 -16.942 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.860 4.912 -17.065 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.486 5.352 -18.060 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.386 6.983 -16.036 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.698 6.945 -16.507 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.996 5.771 -14.083 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.329 6.263 -14.307 1.00 0.00 H new ATOM 273 N GLU A 18 12.442 1.924 -17.649 1.00 0.00 N ATOM 274 CA GLU A 18 13.183 0.711 -18.012 1.00 0.00 C ATOM 275 C GLU A 18 14.582 1.050 -18.562 1.00 0.00 C ATOM 276 O GLU A 18 15.293 0.172 -19.053 1.00 0.00 O ATOM 277 CB GLU A 18 12.364 -0.118 -19.017 1.00 0.00 C ATOM 278 CG GLU A 18 11.047 -0.632 -18.414 1.00 0.00 C ATOM 279 CD GLU A 18 10.287 -1.529 -19.408 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.504 -1.008 -20.235 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.448 -2.770 -19.364 1.00 0.00 O ATOM 0 H GLU A 18 11.688 2.151 -18.297 1.00 0.00 H new ATOM 0 HA GLU A 18 13.335 0.113 -17.114 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.146 0.491 -19.894 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.960 -0.965 -19.357 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.256 -1.192 -17.503 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.420 0.214 -18.131 1.00 0.00 H new ATOM 288 N GLU A 19 14.988 2.321 -18.481 1.00 0.00 N ATOM 289 CA GLU A 19 16.198 2.885 -19.042 1.00 0.00 C ATOM 290 C GLU A 19 16.886 3.832 -18.036 1.00 0.00 C ATOM 291 O GLU A 19 17.776 4.595 -18.417 1.00 0.00 O ATOM 292 CB GLU A 19 15.870 3.615 -20.361 1.00 0.00 C ATOM 293 CG GLU A 19 15.071 2.775 -21.370 1.00 0.00 C ATOM 294 CD GLU A 19 14.941 3.494 -22.724 1.00 0.00 C ATOM 295 OE1 GLU A 19 13.989 4.286 -22.913 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.779 3.263 -23.626 1.00 0.00 O ATOM 0 H GLU A 19 14.436 3.022 -17.987 1.00 0.00 H new ATOM 0 HA GLU A 19 16.897 2.076 -19.256 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.305 4.519 -20.131 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.802 3.932 -20.828 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.562 1.813 -21.514 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.078 2.570 -20.969 1.00 0.00 H new ATOM 303 N THR A 20 16.458 3.825 -16.765 1.00 0.00 N ATOM 304 CA THR A 20 17.028 4.656 -15.707 1.00 0.00 C ATOM 305 C THR A 20 18.525 4.357 -15.568 1.00 0.00 C ATOM 306 O THR A 20 18.963 3.216 -15.752 1.00 0.00 O ATOM 307 CB THR A 20 16.277 4.427 -14.383 1.00 0.00 C ATOM 308 OG1 THR A 20 14.896 4.382 -14.613 1.00 0.00 O ATOM 309 CG2 THR A 20 16.468 5.577 -13.390 1.00 0.00 C ATOM 0 H THR A 20 15.694 3.231 -16.444 1.00 0.00 H new ATOM 0 HA THR A 20 16.914 5.708 -15.968 1.00 0.00 H new ATOM 0 HB THR A 20 16.677 3.497 -13.980 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.629 3.462 -14.819 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.917 5.363 -12.475 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.528 5.686 -13.158 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.096 6.503 -13.829 1.00 0.00 H new ATOM 317 N ASN A 21 19.309 5.376 -15.217 1.00 0.00 N ATOM 318 CA ASN A 21 20.755 5.290 -15.098 1.00 0.00 C ATOM 319 C ASN A 21 21.181 6.013 -13.822 1.00 0.00 C ATOM 320 O ASN A 21 20.462 6.895 -13.348 1.00 0.00 O ATOM 321 CB ASN A 21 21.406 5.922 -16.342 1.00 0.00 C ATOM 322 CG ASN A 21 22.927 5.882 -16.267 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.561 6.850 -15.864 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.539 4.755 -16.590 1.00 0.00 N ATOM 0 H ASN A 21 18.943 6.304 -15.004 1.00 0.00 H new ATOM 0 HA ASN A 21 21.078 4.251 -15.038 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.072 5.394 -17.235 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.074 6.956 -16.440 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.553 4.683 -16.505 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.997 3.958 -16.924 1.00 0.00 H new ATOM 331 N GLU A 22 22.354 5.666 -13.287 1.00 0.00 N ATOM 332 CA GLU A 22 22.956 6.285 -12.105 1.00 0.00 C ATOM 333 C GLU A 22 22.928 7.813 -12.198 1.00 0.00 C ATOM 334 O GLU A 22 22.569 8.490 -11.233 1.00 0.00 O ATOM 335 CB GLU A 22 24.392 5.745 -11.978 1.00 0.00 C ATOM 336 CG GLU A 22 25.124 6.191 -10.705 1.00 0.00 C ATOM 337 CD GLU A 22 26.595 5.737 -10.720 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.885 4.570 -10.369 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.482 6.546 -11.075 1.00 0.00 O ATOM 0 H GLU A 22 22.930 4.921 -13.679 1.00 0.00 H new ATOM 0 HA GLU A 22 22.384 6.030 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.362 4.656 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.967 6.068 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 22 25.077 7.276 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.622 5.778 -9.830 1.00 0.00 H new ATOM 346 N MET A 23 23.253 8.352 -13.374 1.00 0.00 N ATOM 347 CA MET A 23 23.322 9.788 -13.603 1.00 0.00 C ATOM 348 C MET A 23 21.957 10.448 -13.419 1.00 0.00 C ATOM 349 O MET A 23 21.894 11.552 -12.887 1.00 0.00 O ATOM 350 CB MET A 23 23.887 10.059 -15.006 1.00 0.00 C ATOM 351 CG MET A 23 24.158 11.551 -15.242 1.00 0.00 C ATOM 352 SD MET A 23 24.891 11.925 -16.858 1.00 0.00 S ATOM 353 CE MET A 23 25.014 13.729 -16.716 1.00 0.00 C ATOM 0 H MET A 23 23.477 7.795 -14.199 1.00 0.00 H new ATOM 0 HA MET A 23 23.990 10.228 -12.863 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.812 9.498 -15.138 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.184 9.696 -15.756 1.00 0.00 H new ATOM 0 HG2 MET A 23 23.221 12.099 -15.145 1.00 0.00 H new ATOM 0 HG3 MET A 23 24.824 11.916 -14.460 1.00 0.00 H new ATOM 0 HE1 MET A 23 25.448 14.137 -17.629 1.00 0.00 H new ATOM 0 HE2 MET A 23 24.020 14.151 -16.567 1.00 0.00 H new ATOM 0 HE3 MET A 23 25.648 13.985 -15.867 1.00 0.00 H new ATOM 363 N MET A 24 20.871 9.785 -13.826 1.00 0.00 N ATOM 364 CA MET A 24 19.525 10.355 -13.764 1.00 0.00 C ATOM 365 C MET A 24 19.138 10.583 -12.313 1.00 0.00 C ATOM 366 O MET A 24 18.787 11.694 -11.913 1.00 0.00 O ATOM 367 CB MET A 24 18.494 9.438 -14.450 1.00 0.00 C ATOM 368 CG MET A 24 18.718 9.398 -15.961 1.00 0.00 C ATOM 369 SD MET A 24 17.823 8.105 -16.865 1.00 0.00 S ATOM 370 CE MET A 24 16.103 8.599 -16.573 1.00 0.00 C ATOM 0 H MET A 24 20.901 8.839 -14.207 1.00 0.00 H new ATOM 0 HA MET A 24 19.529 11.306 -14.297 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.569 8.431 -14.041 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.486 9.795 -14.237 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.435 10.365 -16.376 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.785 9.271 -16.147 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.448 8.060 -17.258 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.826 8.363 -15.545 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.999 9.671 -16.740 1.00 0.00 H new ATOM 380 N LEU A 25 19.233 9.530 -11.505 1.00 0.00 N ATOM 381 CA LEU A 25 18.789 9.633 -10.124 1.00 0.00 C ATOM 382 C LEU A 25 19.757 10.490 -9.321 1.00 0.00 C ATOM 383 O LEU A 25 19.311 11.203 -8.427 1.00 0.00 O ATOM 384 CB LEU A 25 18.641 8.262 -9.462 1.00 0.00 C ATOM 385 CG LEU A 25 17.633 7.310 -10.120 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.308 6.204 -9.114 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.352 8.024 -10.574 1.00 0.00 C ATOM 0 H LEU A 25 19.604 8.619 -11.776 1.00 0.00 H new ATOM 0 HA LEU A 25 17.806 10.103 -10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.617 7.777 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.347 8.411 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 25 18.079 6.895 -11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.592 5.510 -9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.221 5.668 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.879 6.645 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.676 7.302 -11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.865 8.481 -9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.604 8.797 -11.300 1.00 0.00 H new ATOM 399 N SER A 26 21.053 10.476 -9.646 1.00 0.00 N ATOM 400 CA SER A 26 22.002 11.371 -9.002 1.00 0.00 C ATOM 401 C SER A 26 21.623 12.818 -9.317 1.00 0.00 C ATOM 402 O SER A 26 21.500 13.637 -8.409 1.00 0.00 O ATOM 403 CB SER A 26 23.435 11.051 -9.442 1.00 0.00 C ATOM 404 OG SER A 26 23.746 9.697 -9.170 1.00 0.00 O ATOM 0 H SER A 26 21.461 9.857 -10.347 1.00 0.00 H new ATOM 0 HA SER A 26 21.962 11.229 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.547 11.249 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.136 11.703 -8.921 1.00 0.00 H new ATOM 0 HG SER A 26 23.579 9.156 -9.970 1.00 0.00 H new ATOM 410 N MET A 27 21.346 13.138 -10.582 1.00 0.00 N ATOM 411 CA MET A 27 20.929 14.467 -10.998 1.00 0.00 C ATOM 412 C MET A 27 19.663 14.898 -10.249 1.00 0.00 C ATOM 413 O MET A 27 19.567 16.053 -9.837 1.00 0.00 O ATOM 414 CB MET A 27 20.744 14.468 -12.522 1.00 0.00 C ATOM 415 CG MET A 27 20.346 15.832 -13.081 1.00 0.00 C ATOM 416 SD MET A 27 21.470 17.216 -12.724 1.00 0.00 S ATOM 417 CE MET A 27 22.979 16.651 -13.559 1.00 0.00 C ATOM 0 H MET A 27 21.407 12.470 -11.351 1.00 0.00 H new ATOM 0 HA MET A 27 21.694 15.201 -10.745 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.672 14.146 -12.994 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.981 13.737 -12.789 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.249 15.742 -14.163 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.360 16.085 -12.693 1.00 0.00 H new ATOM 0 HE1 MET A 27 23.731 17.439 -13.523 1.00 0.00 H new ATOM 0 HE2 MET A 27 23.361 15.761 -13.058 1.00 0.00 H new ATOM 0 HE3 MET A 27 22.752 16.413 -14.598 1.00 0.00 H new ATOM 427 N LEU A 28 18.722 13.976 -10.013 1.00 0.00 N ATOM 428 CA LEU A 28 17.493 14.292 -9.290 1.00 0.00 C ATOM 429 C LEU A 28 17.756 14.508 -7.801 1.00 0.00 C ATOM 430 O LEU A 28 17.434 15.574 -7.275 1.00 0.00 O ATOM 431 CB LEU A 28 16.419 13.211 -9.513 1.00 0.00 C ATOM 432 CG LEU A 28 15.843 13.183 -10.944 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.874 12.005 -11.091 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.112 14.480 -11.315 1.00 0.00 C ATOM 0 H LEU A 28 18.792 13.004 -10.315 1.00 0.00 H new ATOM 0 HA LEU A 28 17.111 15.230 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.848 12.235 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.604 13.373 -8.808 1.00 0.00 H new ATOM 0 HG LEU A 28 16.689 13.074 -11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.470 11.990 -12.103 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.403 11.072 -10.898 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.058 12.114 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.728 14.403 -12.332 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.283 14.641 -10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.805 15.319 -11.251 1.00 0.00 H new ATOM 446 N PHE A 29 18.328 13.525 -7.110 1.00 0.00 N ATOM 447 CA PHE A 29 18.413 13.565 -5.653 1.00 0.00 C ATOM 448 C PHE A 29 19.561 14.439 -5.133 1.00 0.00 C ATOM 449 O PHE A 29 19.448 14.956 -4.022 1.00 0.00 O ATOM 450 CB PHE A 29 18.537 12.147 -5.087 1.00 0.00 C ATOM 451 CG PHE A 29 17.244 11.357 -5.033 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.790 10.638 -6.153 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.504 11.318 -3.835 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.603 9.893 -6.076 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.317 10.570 -3.755 1.00 0.00 C ATOM 456 CZ PHE A 29 14.866 9.860 -4.879 1.00 0.00 C ATOM 0 H PHE A 29 18.738 12.693 -7.534 1.00 0.00 H new ATOM 0 HA PHE A 29 17.488 14.025 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.257 11.594 -5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.948 12.210 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.355 10.659 -7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.851 11.867 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.255 9.344 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.755 10.541 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.952 9.288 -4.824 1.00 0.00 H new ATOM 466 N ASN A 30 20.651 14.651 -5.884 1.00 0.00 N ATOM 467 CA ASN A 30 21.784 15.455 -5.393 1.00 0.00 C ATOM 468 C ASN A 30 21.413 16.922 -5.133 1.00 0.00 C ATOM 469 O ASN A 30 22.185 17.642 -4.499 1.00 0.00 O ATOM 470 CB ASN A 30 23.036 15.364 -6.286 1.00 0.00 C ATOM 471 CG ASN A 30 23.100 16.470 -7.339 1.00 0.00 C ATOM 472 OD1 ASN A 30 23.871 17.418 -7.227 1.00 0.00 O ATOM 473 ND2 ASN A 30 22.275 16.388 -8.366 1.00 0.00 N ATOM 0 H ASN A 30 20.774 14.281 -6.827 1.00 0.00 H new ATOM 0 HA ASN A 30 22.039 15.003 -4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.927 15.414 -5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 30 23.051 14.394 -6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.273 17.118 -9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 30 21.639 15.595 -8.447 1.00 0.00 H new ATOM 480 N GLN A 31 20.243 17.368 -5.606 1.00 0.00 N ATOM 481 CA GLN A 31 19.684 18.672 -5.287 1.00 0.00 C ATOM 482 C GLN A 31 19.502 18.850 -3.771 1.00 0.00 C ATOM 483 O GLN A 31 19.590 19.977 -3.280 1.00 0.00 O ATOM 484 CB GLN A 31 18.338 18.850 -6.008 1.00 0.00 C ATOM 485 CG GLN A 31 18.469 18.836 -7.540 1.00 0.00 C ATOM 486 CD GLN A 31 17.109 19.022 -8.215 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.775 20.102 -8.698 1.00 0.00 O ATOM 488 NE2 GLN A 31 16.288 17.985 -8.248 1.00 0.00 N ATOM 0 H GLN A 31 19.654 16.818 -6.231 1.00 0.00 H new ATOM 0 HA GLN A 31 20.383 19.435 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.659 18.055 -5.700 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.887 19.792 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.146 19.629 -7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.911 17.893 -7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.576 17.094 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.367 18.077 -8.677 1.00 0.00 H new ATOM 497 N PHE A 32 19.250 17.767 -3.024 1.00 0.00 N ATOM 498 CA PHE A 32 19.065 17.826 -1.578 1.00 0.00 C ATOM 499 C PHE A 32 20.441 17.749 -0.899 1.00 0.00 C ATOM 500 O PHE A 32 21.238 16.881 -1.270 1.00 0.00 O ATOM 501 CB PHE A 32 18.154 16.676 -1.116 1.00 0.00 C ATOM 502 CG PHE A 32 16.860 16.569 -1.909 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.921 17.620 -1.898 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.628 15.449 -2.728 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.784 17.560 -2.726 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.492 15.384 -3.546 1.00 0.00 C ATOM 507 CZ PHE A 32 14.580 16.448 -3.562 1.00 0.00 C ATOM 0 H PHE A 32 19.170 16.827 -3.411 1.00 0.00 H new ATOM 0 HA PHE A 32 18.584 18.764 -1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.700 15.736 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.914 16.814 -0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.074 18.473 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.333 14.631 -2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.068 18.369 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.320 14.515 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.721 16.414 -4.216 1.00 0.00 H new ATOM 517 N PRO A 33 20.730 18.581 0.122 1.00 0.00 N ATOM 518 CA PRO A 33 22.040 18.672 0.780 1.00 0.00 C ATOM 519 C PRO A 33 22.338 17.484 1.726 1.00 0.00 C ATOM 520 O PRO A 33 23.018 17.638 2.744 1.00 0.00 O ATOM 521 CB PRO A 33 22.025 20.038 1.483 1.00 0.00 C ATOM 522 CG PRO A 33 20.557 20.231 1.846 1.00 0.00 C ATOM 523 CD PRO A 33 19.833 19.597 0.661 1.00 0.00 C ATOM 0 HA PRO A 33 22.858 18.603 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.662 20.042 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.385 20.831 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.304 19.739 2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.303 21.285 1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.889 19.153 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.597 20.346 -0.095 1.00 0.00 H new ATOM 531 N GLY A 34 21.836 16.290 1.400 1.00 0.00 N ATOM 532 CA GLY A 34 22.039 15.065 2.158 1.00 0.00 C ATOM 533 C GLY A 34 22.343 13.862 1.279 1.00 0.00 C ATOM 534 O GLY A 34 22.712 12.825 1.824 1.00 0.00 O ATOM 0 H GLY A 34 21.258 16.151 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 34 22.860 15.211 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.147 14.859 2.749 1.00 0.00 H new ATOM 538 N PHE A 35 22.228 13.972 -0.046 1.00 0.00 N ATOM 539 CA PHE A 35 22.538 12.910 -0.986 1.00 0.00 C ATOM 540 C PHE A 35 23.950 12.376 -0.761 1.00 0.00 C ATOM 541 O PHE A 35 24.857 13.110 -0.355 1.00 0.00 O ATOM 542 CB PHE A 35 22.386 13.492 -2.394 1.00 0.00 C ATOM 543 CG PHE A 35 22.793 12.584 -3.539 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.861 11.693 -4.095 1.00 0.00 C ATOM 545 CD2 PHE A 35 24.091 12.661 -4.083 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.212 10.893 -5.192 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.449 11.845 -5.171 1.00 0.00 C ATOM 548 CZ PHE A 35 23.509 10.960 -5.724 1.00 0.00 C ATOM 0 H PHE A 35 21.908 14.827 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 35 21.861 12.067 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.344 13.778 -2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.978 14.405 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.868 11.623 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.812 13.348 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.484 10.225 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.447 11.899 -5.581 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.784 10.331 -6.558 1.00 0.00 H new ATOM 558 N LYS A 36 24.144 11.101 -1.080 1.00 0.00 N ATOM 559 CA LYS A 36 25.457 10.460 -1.116 1.00 0.00 C ATOM 560 C LYS A 36 25.626 9.758 -2.455 1.00 0.00 C ATOM 561 O LYS A 36 26.598 10.049 -3.152 1.00 0.00 O ATOM 562 CB LYS A 36 25.640 9.442 0.030 1.00 0.00 C ATOM 563 CG LYS A 36 25.454 9.962 1.466 1.00 0.00 C ATOM 564 CD LYS A 36 26.742 10.383 2.182 1.00 0.00 C ATOM 565 CE LYS A 36 27.510 11.510 1.487 1.00 0.00 C ATOM 566 NZ LYS A 36 26.852 12.833 1.610 1.00 0.00 N ATOM 0 H LYS A 36 23.380 10.471 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 36 26.215 11.233 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.936 8.625 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.642 9.019 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 36 24.776 10.815 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.967 9.185 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.494 10.699 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 36 27.395 9.515 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 36 28.513 11.571 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 36 27.623 11.265 0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.576 13.573 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 26.278 13.016 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.239 12.839 2.450 1.00 0.00 H new ATOM 580 N GLU A 37 24.721 8.843 -2.816 1.00 0.00 N ATOM 581 CA GLU A 37 24.915 7.991 -3.994 1.00 0.00 C ATOM 582 C GLU A 37 23.604 7.298 -4.393 1.00 0.00 C ATOM 583 O GLU A 37 22.605 7.400 -3.680 1.00 0.00 O ATOM 584 CB GLU A 37 26.011 6.942 -3.678 1.00 0.00 C ATOM 585 CG GLU A 37 26.848 6.566 -4.910 1.00 0.00 C ATOM 586 CD GLU A 37 28.010 5.627 -4.539 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.801 4.398 -4.425 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.156 6.105 -4.376 1.00 0.00 O ATOM 0 H GLU A 37 23.850 8.673 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 37 25.229 8.608 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.670 7.334 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.543 6.044 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.211 6.082 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.243 7.471 -5.372 1.00 0.00 H new ATOM 595 N VAL A 38 23.617 6.549 -5.500 1.00 0.00 N ATOM 596 CA VAL A 38 22.540 5.647 -5.910 1.00 0.00 C ATOM 597 C VAL A 38 23.158 4.320 -6.372 1.00 0.00 C ATOM 598 O VAL A 38 24.360 4.247 -6.647 1.00 0.00 O ATOM 599 CB VAL A 38 21.615 6.277 -6.986 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.198 7.711 -6.643 1.00 0.00 C ATOM 601 CG2 VAL A 38 22.220 6.289 -8.396 1.00 0.00 C ATOM 0 H VAL A 38 24.400 6.555 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 38 21.890 5.458 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 38 20.743 5.623 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.552 8.100 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 38 20.659 7.716 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.086 8.338 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.514 6.744 -9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.146 6.864 -8.390 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.430 5.267 -8.710 1.00 0.00 H new ATOM 611 N ARG A 39 22.332 3.282 -6.510 1.00 0.00 N ATOM 612 CA ARG A 39 22.694 1.997 -7.096 1.00 0.00 C ATOM 613 C ARG A 39 21.506 1.571 -7.943 1.00 0.00 C ATOM 614 O ARG A 39 20.452 1.224 -7.408 1.00 0.00 O ATOM 615 CB ARG A 39 23.042 0.991 -5.981 1.00 0.00 C ATOM 616 CG ARG A 39 23.344 -0.444 -6.448 1.00 0.00 C ATOM 617 CD ARG A 39 24.459 -0.527 -7.502 1.00 0.00 C ATOM 618 NE ARG A 39 25.100 -1.855 -7.521 1.00 0.00 N ATOM 619 CZ ARG A 39 24.626 -2.982 -8.070 1.00 0.00 C ATOM 620 NH1 ARG A 39 23.476 -2.996 -8.741 1.00 0.00 N ATOM 621 NH2 ARG A 39 25.317 -4.110 -7.939 1.00 0.00 N ATOM 0 H ARG A 39 21.359 3.317 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 39 23.583 2.054 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 39 23.908 1.366 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.212 0.957 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 39 23.627 -1.046 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 39 22.434 -0.882 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.045 -0.310 -8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.210 0.236 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 39 26.009 -1.924 -7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 39 22.936 -2.137 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.135 -3.866 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.198 -4.112 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 39 24.966 -4.974 -8.352 1.00 0.00 H new ATOM 635 N LEU A 40 21.652 1.664 -9.262 1.00 0.00 N ATOM 636 CA LEU A 40 20.687 1.112 -10.202 1.00 0.00 C ATOM 637 C LEU A 40 20.822 -0.408 -10.203 1.00 0.00 C ATOM 638 O LEU A 40 21.771 -0.970 -9.648 1.00 0.00 O ATOM 639 CB LEU A 40 20.926 1.695 -11.618 1.00 0.00 C ATOM 640 CG LEU A 40 20.111 2.961 -11.946 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.626 2.639 -12.133 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.289 4.066 -10.900 1.00 0.00 C ATOM 0 H LEU A 40 22.445 2.126 -9.708 1.00 0.00 H new ATOM 0 HA LEU A 40 19.674 1.381 -9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.986 1.925 -11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.690 0.928 -12.355 1.00 0.00 H new ATOM 0 HG LEU A 40 20.507 3.339 -12.888 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.081 3.555 -12.363 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.508 1.931 -12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.230 2.202 -11.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.692 4.934 -11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.962 3.701 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.340 4.350 -10.846 1.00 0.00 H new ATOM 654 N VAL A 41 19.900 -1.065 -10.897 1.00 0.00 N ATOM 655 CA VAL A 41 19.954 -2.486 -11.206 1.00 0.00 C ATOM 656 C VAL A 41 20.156 -2.562 -12.720 1.00 0.00 C ATOM 657 O VAL A 41 19.165 -2.512 -13.446 1.00 0.00 O ATOM 658 CB VAL A 41 18.705 -3.198 -10.642 1.00 0.00 C ATOM 659 CG1 VAL A 41 18.765 -4.711 -10.897 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.590 -2.960 -9.123 1.00 0.00 C ATOM 0 H VAL A 41 19.069 -0.608 -11.271 1.00 0.00 H new ATOM 0 HA VAL A 41 20.776 -3.022 -10.731 1.00 0.00 H new ATOM 0 HB VAL A 41 17.836 -2.782 -11.152 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.872 -5.184 -10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.816 -4.897 -11.970 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.649 -5.127 -10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.705 -3.468 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.477 -3.352 -8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.507 -1.891 -8.927 1.00 0.00 H new ATOM 722 N HIS A 45 16.636 -1.735 -14.401 1.00 0.00 N ATOM 723 CA HIS A 45 16.520 -0.277 -14.300 1.00 0.00 C ATOM 724 C HIS A 45 15.222 0.247 -13.664 1.00 0.00 C ATOM 725 O HIS A 45 15.229 1.359 -13.143 1.00 0.00 O ATOM 726 CB HIS A 45 16.717 0.404 -15.661 1.00 0.00 C ATOM 727 CG HIS A 45 17.849 -0.121 -16.507 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.745 -0.563 -17.805 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.166 -0.223 -16.149 1.00 0.00 C ATOM 730 CE1 HIS A 45 18.967 -0.935 -18.219 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.873 -0.750 -17.239 1.00 0.00 N ATOM 0 HA HIS A 45 17.325 -0.012 -13.615 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.792 0.310 -16.229 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.880 1.468 -15.492 1.00 0.00 H new ATOM 0 HD1 HIS A 45 16.888 -0.602 -18.357 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.587 0.054 -15.194 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.192 -1.327 -19.200 1.00 0.00 H new ATOM 739 N ASP A 46 14.123 -0.515 -13.677 1.00 0.00 N ATOM 740 CA ASP A 46 12.809 -0.076 -13.208 1.00 0.00 C ATOM 741 C ASP A 46 12.723 -0.027 -11.679 1.00 0.00 C ATOM 742 O ASP A 46 11.724 0.454 -11.140 1.00 0.00 O ATOM 743 CB ASP A 46 11.688 -0.955 -13.783 1.00 0.00 C ATOM 744 CG ASP A 46 11.521 -2.275 -13.023 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.483 -3.068 -12.981 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.430 -2.564 -12.485 1.00 0.00 O ATOM 0 H ASP A 46 14.125 -1.475 -14.022 1.00 0.00 H new ATOM 0 HA ASP A 46 12.673 0.941 -13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.749 -0.403 -13.754 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.901 -1.168 -14.831 1.00 0.00 H new ATOM 751 N ILE A 47 13.772 -0.483 -10.987 1.00 0.00 N ATOM 752 CA ILE A 47 13.976 -0.338 -9.556 1.00 0.00 C ATOM 753 C ILE A 47 15.421 0.126 -9.314 1.00 0.00 C ATOM 754 O ILE A 47 16.302 -0.104 -10.151 1.00 0.00 O ATOM 755 CB ILE A 47 13.601 -1.631 -8.783 1.00 0.00 C ATOM 756 CG1 ILE A 47 14.702 -2.711 -8.695 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.289 -2.255 -9.295 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.099 -3.397 -10.002 1.00 0.00 C ATOM 0 H ILE A 47 14.535 -0.987 -11.439 1.00 0.00 H new ATOM 0 HA ILE A 47 13.303 0.422 -9.159 1.00 0.00 H new ATOM 0 HB ILE A 47 13.466 -1.273 -7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.594 -2.253 -8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.370 -3.478 -7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.068 -3.157 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.475 -1.540 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.395 -2.510 -10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.879 -4.132 -9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.230 -3.896 -10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.472 -2.652 -10.705 1.00 0.00 H new ATOM 770 N ALA A 48 15.665 0.778 -8.177 1.00 0.00 N ATOM 771 CA ALA A 48 16.954 1.349 -7.792 1.00 0.00 C ATOM 772 C ALA A 48 17.026 1.458 -6.272 1.00 0.00 C ATOM 773 O ALA A 48 16.024 1.279 -5.578 1.00 0.00 O ATOM 774 CB ALA A 48 17.111 2.748 -8.404 1.00 0.00 C ATOM 0 H ALA A 48 14.942 0.928 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 48 17.753 0.703 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.074 3.167 -8.112 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.060 2.678 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.310 3.394 -8.044 1.00 0.00 H new ATOM 780 N PHE A 49 18.195 1.836 -5.767 1.00 0.00 N ATOM 781 CA PHE A 49 18.419 2.200 -4.380 1.00 0.00 C ATOM 782 C PHE A 49 19.114 3.557 -4.371 1.00 0.00 C ATOM 783 O PHE A 49 19.847 3.887 -5.306 1.00 0.00 O ATOM 784 CB PHE A 49 19.274 1.141 -3.669 1.00 0.00 C ATOM 785 CG PHE A 49 18.623 -0.222 -3.520 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.569 -1.107 -4.618 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.080 -0.611 -2.280 1.00 0.00 C ATOM 788 CE1 PHE A 49 17.953 -2.365 -4.489 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.495 -1.883 -2.141 1.00 0.00 C ATOM 790 CZ PHE A 49 17.429 -2.758 -3.243 1.00 0.00 C ATOM 0 H PHE A 49 19.040 1.898 -6.335 1.00 0.00 H new ATOM 0 HA PHE A 49 17.472 2.256 -3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.208 1.022 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.533 1.512 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.003 -0.817 -5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.113 0.065 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 49 17.883 -3.025 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.095 -2.190 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.976 -3.732 -3.132 1.00 0.00 H new ATOM 800 N VAL A 50 18.900 4.340 -3.320 1.00 0.00 N ATOM 801 CA VAL A 50 19.437 5.683 -3.147 1.00 0.00 C ATOM 802 C VAL A 50 19.965 5.750 -1.709 1.00 0.00 C ATOM 803 O VAL A 50 19.363 5.171 -0.803 1.00 0.00 O ATOM 804 CB VAL A 50 18.328 6.710 -3.476 1.00 0.00 C ATOM 805 CG1 VAL A 50 18.761 8.156 -3.210 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.861 6.588 -4.935 1.00 0.00 C ATOM 0 H VAL A 50 18.323 4.043 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 50 20.260 5.921 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 50 17.501 6.472 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 17.943 8.832 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.019 8.271 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.629 8.395 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.082 7.325 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.704 6.766 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.466 5.587 -5.108 1.00 0.00 H new ATOM 816 N GLU A 51 21.094 6.425 -1.497 1.00 0.00 N ATOM 817 CA GLU A 51 21.836 6.455 -0.244 1.00 0.00 C ATOM 818 C GLU A 51 22.115 7.913 0.105 1.00 0.00 C ATOM 819 O GLU A 51 22.489 8.714 -0.763 1.00 0.00 O ATOM 820 CB GLU A 51 23.135 5.646 -0.397 1.00 0.00 C ATOM 821 CG GLU A 51 24.015 5.700 0.863 1.00 0.00 C ATOM 822 CD GLU A 51 25.226 4.757 0.747 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.097 3.552 1.061 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.325 5.216 0.362 1.00 0.00 O ATOM 0 H GLU A 51 21.532 6.988 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 51 21.263 6.002 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.888 4.608 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.700 6.029 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.362 6.721 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.421 5.425 1.735 1.00 0.00 H new ATOM 831 N PHE A 52 21.919 8.233 1.384 1.00 0.00 N ATOM 832 CA PHE A 52 21.910 9.570 1.947 1.00 0.00 C ATOM 833 C PHE A 52 22.697 9.598 3.259 1.00 0.00 C ATOM 834 O PHE A 52 23.021 8.570 3.858 1.00 0.00 O ATOM 835 CB PHE A 52 20.453 9.996 2.191 1.00 0.00 C ATOM 836 CG PHE A 52 19.862 10.905 1.136 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.684 10.437 -0.177 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.481 12.219 1.467 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.173 11.289 -1.167 1.00 0.00 C ATOM 840 CE2 PHE A 52 18.964 13.073 0.478 1.00 0.00 C ATOM 841 CZ PHE A 52 18.829 12.611 -0.842 1.00 0.00 C ATOM 0 H PHE A 52 21.753 7.518 2.092 1.00 0.00 H new ATOM 0 HA PHE A 52 22.383 10.263 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.836 9.100 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.395 10.500 3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.942 9.418 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.586 12.571 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 52 19.044 10.929 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.671 14.081 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.459 13.275 -1.609 1.00 0.00 H new ATOM 851 N THR A 53 23.007 10.815 3.691 1.00 0.00 N ATOM 852 CA THR A 53 23.771 11.125 4.884 1.00 0.00 C ATOM 853 C THR A 53 22.953 10.829 6.137 1.00 0.00 C ATOM 854 O THR A 53 23.446 10.171 7.055 1.00 0.00 O ATOM 855 CB THR A 53 24.129 12.621 4.838 1.00 0.00 C ATOM 856 OG1 THR A 53 24.862 12.910 3.658 1.00 0.00 O ATOM 857 CG2 THR A 53 24.915 13.063 6.070 1.00 0.00 C ATOM 0 H THR A 53 22.715 11.653 3.189 1.00 0.00 H new ATOM 0 HA THR A 53 24.672 10.513 4.918 1.00 0.00 H new ATOM 0 HB THR A 53 23.194 13.181 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.252 12.936 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.145 14.126 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.319 12.885 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.843 12.495 6.133 1.00 0.00 H new ATOM 865 N THR A 54 21.706 11.300 6.167 1.00 0.00 N ATOM 866 CA THR A 54 20.893 11.303 7.363 1.00 0.00 C ATOM 867 C THR A 54 19.464 10.938 7.003 1.00 0.00 C ATOM 868 O THR A 54 18.930 11.308 5.954 1.00 0.00 O ATOM 869 CB THR A 54 20.994 12.679 8.062 1.00 0.00 C ATOM 870 OG1 THR A 54 21.362 13.728 7.172 1.00 0.00 O ATOM 871 CG2 THR A 54 22.036 12.640 9.180 1.00 0.00 C ATOM 0 H THR A 54 21.237 11.691 5.350 1.00 0.00 H new ATOM 0 HA THR A 54 21.255 10.556 8.070 1.00 0.00 H new ATOM 0 HB THR A 54 19.998 12.882 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.409 14.574 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.092 13.617 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.750 11.890 9.918 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.010 12.385 8.761 1.00 0.00 H new ATOM 879 N GLU A 55 18.853 10.188 7.907 1.00 0.00 N ATOM 880 CA GLU A 55 17.527 9.598 7.763 1.00 0.00 C ATOM 881 C GLU A 55 16.473 10.686 7.520 1.00 0.00 C ATOM 882 O GLU A 55 15.556 10.507 6.721 1.00 0.00 O ATOM 883 CB GLU A 55 17.163 8.786 9.021 1.00 0.00 C ATOM 884 CG GLU A 55 18.206 7.744 9.467 1.00 0.00 C ATOM 885 CD GLU A 55 19.202 8.291 10.508 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.098 9.082 10.137 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.101 7.925 11.701 1.00 0.00 O ATOM 0 H GLU A 55 19.286 9.963 8.803 1.00 0.00 H new ATOM 0 HA GLU A 55 17.543 8.930 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.996 9.481 9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.218 8.273 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.691 6.879 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.758 7.395 8.594 1.00 0.00 H new ATOM 894 N LEU A 56 16.626 11.838 8.180 1.00 0.00 N ATOM 895 CA LEU A 56 15.703 12.964 8.064 1.00 0.00 C ATOM 896 C LEU A 56 15.792 13.602 6.678 1.00 0.00 C ATOM 897 O LEU A 56 14.761 13.930 6.092 1.00 0.00 O ATOM 898 CB LEU A 56 16.014 14.012 9.148 1.00 0.00 C ATOM 899 CG LEU A 56 15.236 13.799 10.462 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.555 12.462 11.144 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.547 14.942 11.434 1.00 0.00 C ATOM 0 H LEU A 56 17.404 12.014 8.816 1.00 0.00 H new ATOM 0 HA LEU A 56 14.688 12.592 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.083 13.993 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.785 15.004 8.758 1.00 0.00 H new ATOM 0 HG LEU A 56 14.178 13.784 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.975 12.375 12.063 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.299 11.641 10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.618 12.419 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.996 14.790 12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.616 14.959 11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.250 15.891 10.987 1.00 0.00 H new ATOM 913 N GLN A 57 17.001 13.763 6.129 1.00 0.00 N ATOM 914 CA GLN A 57 17.160 14.319 4.786 1.00 0.00 C ATOM 915 C GLN A 57 16.639 13.326 3.747 1.00 0.00 C ATOM 916 O GLN A 57 16.008 13.726 2.771 1.00 0.00 O ATOM 917 CB GLN A 57 18.622 14.699 4.516 1.00 0.00 C ATOM 918 CG GLN A 57 19.116 15.747 5.524 1.00 0.00 C ATOM 919 CD GLN A 57 20.326 16.506 4.991 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.189 17.572 4.401 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.526 15.975 5.156 1.00 0.00 N ATOM 0 H GLN A 57 17.876 13.517 6.592 1.00 0.00 H new ATOM 0 HA GLN A 57 16.572 15.234 4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.249 13.809 4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.718 15.090 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.312 16.450 5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.377 15.257 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.628 15.088 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.350 16.453 4.791 1.00 0.00 H new ATOM 930 N SER A 58 16.839 12.031 3.993 1.00 0.00 N ATOM 931 CA SER A 58 16.263 10.962 3.188 1.00 0.00 C ATOM 932 C SER A 58 14.736 11.059 3.177 1.00 0.00 C ATOM 933 O SER A 58 14.121 10.980 2.114 1.00 0.00 O ATOM 934 CB SER A 58 16.707 9.604 3.734 1.00 0.00 C ATOM 935 OG SER A 58 18.088 9.606 4.021 1.00 0.00 O ATOM 0 H SER A 58 17.413 11.695 4.766 1.00 0.00 H new ATOM 0 HA SER A 58 16.618 11.065 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.144 9.368 4.637 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.483 8.824 3.006 1.00 0.00 H new ATOM 0 HG SER A 58 18.253 10.133 4.831 1.00 0.00 H new ATOM 941 N ASN A 59 14.114 11.282 4.341 1.00 0.00 N ATOM 942 CA ASN A 59 12.672 11.469 4.447 1.00 0.00 C ATOM 943 C ASN A 59 12.213 12.701 3.671 1.00 0.00 C ATOM 944 O ASN A 59 11.231 12.633 2.940 1.00 0.00 O ATOM 945 CB ASN A 59 12.241 11.561 5.917 1.00 0.00 C ATOM 946 CG ASN A 59 10.735 11.785 6.039 1.00 0.00 C ATOM 947 OD1 ASN A 59 9.934 11.038 5.488 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.319 12.805 6.770 1.00 0.00 N ATOM 0 H ASN A 59 14.603 11.337 5.235 1.00 0.00 H new ATOM 0 HA ASN A 59 12.191 10.598 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.518 10.644 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.773 12.378 6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.320 12.979 6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.997 13.418 7.223 1.00 0.00 H new ATOM 955 N ALA A 60 12.940 13.815 3.774 1.00 0.00 N ATOM 956 CA ALA A 60 12.619 15.020 3.013 1.00 0.00 C ATOM 957 C ALA A 60 12.678 14.761 1.504 1.00 0.00 C ATOM 958 O ALA A 60 11.779 15.171 0.771 1.00 0.00 O ATOM 959 CB ALA A 60 13.546 16.168 3.423 1.00 0.00 C ATOM 0 H ALA A 60 13.756 13.906 4.379 1.00 0.00 H new ATOM 0 HA ALA A 60 11.594 15.310 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.296 17.060 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.421 16.374 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.581 15.888 3.227 1.00 0.00 H new ATOM 965 N ALA A 61 13.701 14.044 1.038 1.00 0.00 N ATOM 966 CA ALA A 61 13.846 13.689 -0.369 1.00 0.00 C ATOM 967 C ALA A 61 12.729 12.740 -0.821 1.00 0.00 C ATOM 968 O ALA A 61 12.199 12.891 -1.923 1.00 0.00 O ATOM 969 CB ALA A 61 15.218 13.059 -0.609 1.00 0.00 C ATOM 0 H ALA A 61 14.454 13.693 1.630 1.00 0.00 H new ATOM 0 HA ALA A 61 13.765 14.600 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.319 12.797 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.998 13.770 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.317 12.160 -0.000 1.00 0.00 H new ATOM 975 N LYS A 62 12.342 11.782 0.029 1.00 0.00 N ATOM 976 CA LYS A 62 11.214 10.890 -0.219 1.00 0.00 C ATOM 977 C LYS A 62 9.947 11.718 -0.411 1.00 0.00 C ATOM 978 O LYS A 62 9.277 11.568 -1.429 1.00 0.00 O ATOM 979 CB LYS A 62 11.103 9.876 0.935 1.00 0.00 C ATOM 980 CG LYS A 62 9.913 8.917 0.809 1.00 0.00 C ATOM 981 CD LYS A 62 9.897 7.941 1.992 1.00 0.00 C ATOM 982 CE LYS A 62 8.706 6.982 1.875 1.00 0.00 C ATOM 983 NZ LYS A 62 8.566 6.136 3.081 1.00 0.00 N ATOM 0 H LYS A 62 12.812 11.606 0.917 1.00 0.00 H new ATOM 0 HA LYS A 62 11.364 10.318 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.023 9.293 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.021 10.420 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.981 9.482 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.979 8.364 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.828 7.374 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.836 8.495 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.791 7.555 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.834 6.348 0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.597 5.133 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.345 6.339 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.658 6.341 3.545 1.00 0.00 H new ATOM 997 N GLU A 63 9.641 12.624 0.517 1.00 0.00 N ATOM 998 CA GLU A 63 8.459 13.477 0.429 1.00 0.00 C ATOM 999 C GLU A 63 8.490 14.318 -0.854 1.00 0.00 C ATOM 1000 O GLU A 63 7.454 14.522 -1.490 1.00 0.00 O ATOM 1001 CB GLU A 63 8.377 14.388 1.667 1.00 0.00 C ATOM 1002 CG GLU A 63 8.043 13.645 2.969 1.00 0.00 C ATOM 1003 CD GLU A 63 6.563 13.228 3.043 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.722 14.039 3.494 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.224 12.084 2.668 1.00 0.00 O ATOM 0 H GLU A 63 10.206 12.786 1.350 1.00 0.00 H new ATOM 0 HA GLU A 63 7.573 12.843 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.329 14.904 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.620 15.153 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.672 12.758 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.281 14.283 3.820 1.00 0.00 H new ATOM 1012 N ALA A 64 9.677 14.790 -1.242 1.00 0.00 N ATOM 1013 CA ALA A 64 9.868 15.660 -2.391 1.00 0.00 C ATOM 1014 C ALA A 64 9.670 14.940 -3.730 1.00 0.00 C ATOM 1015 O ALA A 64 9.116 15.545 -4.650 1.00 0.00 O ATOM 1016 CB ALA A 64 11.277 16.251 -2.336 1.00 0.00 C ATOM 0 H ALA A 64 10.545 14.571 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 64 9.110 16.441 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.431 16.906 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.396 16.824 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 64 12.011 15.445 -2.358 1.00 0.00 H new ATOM 1022 N LEU A 65 10.114 13.681 -3.861 1.00 0.00 N ATOM 1023 CA LEU A 65 10.172 12.992 -5.157 1.00 0.00 C ATOM 1024 C LEU A 65 9.259 11.770 -5.256 1.00 0.00 C ATOM 1025 O LEU A 65 9.191 11.169 -6.329 1.00 0.00 O ATOM 1026 CB LEU A 65 11.627 12.630 -5.523 1.00 0.00 C ATOM 1027 CG LEU A 65 12.561 13.817 -5.824 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.941 13.285 -6.227 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.053 14.725 -6.952 1.00 0.00 C ATOM 0 H LEU A 65 10.441 13.116 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 65 9.787 13.703 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.055 12.055 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.610 11.976 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 65 12.603 14.414 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.605 14.122 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.355 12.693 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.845 12.661 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.760 15.539 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.956 14.145 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.081 15.136 -6.678 1.00 0.00 H new ATOM 1041 N GLN A 66 8.522 11.392 -4.206 1.00 0.00 N ATOM 1042 CA GLN A 66 7.481 10.379 -4.370 1.00 0.00 C ATOM 1043 C GLN A 66 6.487 10.855 -5.438 1.00 0.00 C ATOM 1044 O GLN A 66 5.983 11.980 -5.385 1.00 0.00 O ATOM 1045 CB GLN A 66 6.747 10.074 -3.055 1.00 0.00 C ATOM 1046 CG GLN A 66 7.417 8.948 -2.254 1.00 0.00 C ATOM 1047 CD GLN A 66 6.573 8.520 -1.048 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.888 9.321 -0.417 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.575 7.242 -0.702 1.00 0.00 N ATOM 0 H GLN A 66 8.623 11.761 -3.261 1.00 0.00 H new ATOM 0 HA GLN A 66 7.958 9.450 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.711 10.977 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.716 9.796 -3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.582 8.089 -2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.397 9.281 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.142 6.573 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.009 6.926 0.086 1.00 0.00 H new ATOM 1058 N GLY A 67 6.209 9.978 -6.401 1.00 0.00 N ATOM 1059 CA GLY A 67 5.299 10.220 -7.511 1.00 0.00 C ATOM 1060 C GLY A 67 5.917 11.057 -8.637 1.00 0.00 C ATOM 1061 O GLY A 67 5.200 11.425 -9.569 1.00 0.00 O ATOM 0 H GLY A 67 6.627 9.048 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.972 9.263 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.410 10.728 -7.137 1.00 0.00 H new ATOM 1065 N PHE A 68 7.212 11.386 -8.575 1.00 0.00 N ATOM 1066 CA PHE A 68 7.862 12.250 -9.554 1.00 0.00 C ATOM 1067 C PHE A 68 7.997 11.499 -10.875 1.00 0.00 C ATOM 1068 O PHE A 68 8.618 10.437 -10.915 1.00 0.00 O ATOM 1069 CB PHE A 68 9.237 12.687 -9.032 1.00 0.00 C ATOM 1070 CG PHE A 68 10.017 13.571 -9.985 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.800 14.962 -9.997 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.964 13.003 -10.859 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.528 15.781 -10.878 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.686 13.823 -11.742 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.470 15.212 -11.752 1.00 0.00 C ATOM 0 H PHE A 68 7.837 11.057 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 68 7.260 13.144 -9.717 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.102 13.219 -8.090 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.829 11.798 -8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.074 15.400 -9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.135 11.937 -10.850 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.363 16.848 -10.883 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.409 13.385 -12.415 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.027 15.841 -12.430 1.00 0.00 H new ATOM 1085 N LYS A 69 7.438 12.035 -11.962 1.00 0.00 N ATOM 1086 CA LYS A 69 7.656 11.484 -13.300 1.00 0.00 C ATOM 1087 C LYS A 69 9.131 11.634 -13.648 1.00 0.00 C ATOM 1088 O LYS A 69 9.585 12.744 -13.932 1.00 0.00 O ATOM 1089 CB LYS A 69 6.789 12.177 -14.372 1.00 0.00 C ATOM 1090 CG LYS A 69 5.559 11.356 -14.778 1.00 0.00 C ATOM 1091 CD LYS A 69 4.506 11.205 -13.673 1.00 0.00 C ATOM 1092 CE LYS A 69 3.481 10.123 -14.044 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.568 10.520 -15.147 1.00 0.00 N ATOM 0 H LYS A 69 6.829 12.853 -11.941 1.00 0.00 H new ATOM 0 HA LYS A 69 7.363 10.434 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.463 13.146 -13.995 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.398 12.367 -15.255 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.094 11.825 -15.645 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.886 10.364 -15.090 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.993 10.945 -12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.997 12.156 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.012 9.215 -14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.888 9.879 -13.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.701 9.947 -15.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.323 11.526 -15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.040 10.366 -16.061 1.00 0.00 H new ATOM 1107 N ILE A 70 9.869 10.526 -13.639 1.00 0.00 N ATOM 1108 CA ILE A 70 11.229 10.509 -14.174 1.00 0.00 C ATOM 1109 C ILE A 70 11.053 10.690 -15.691 1.00 0.00 C ATOM 1110 O ILE A 70 11.712 11.538 -16.294 1.00 0.00 O ATOM 1111 CB ILE A 70 11.954 9.218 -13.771 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.049 9.097 -12.238 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.365 9.221 -14.372 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.514 7.718 -11.771 1.00 0.00 C ATOM 0 H ILE A 70 9.550 9.631 -13.268 1.00 0.00 H new ATOM 0 HA ILE A 70 11.865 11.300 -13.777 1.00 0.00 H new ATOM 0 HB ILE A 70 11.388 8.367 -14.150 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.739 9.853 -11.862 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.073 9.311 -11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.883 8.305 -14.088 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.298 9.278 -15.458 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.918 10.082 -13.997 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.560 7.699 -10.682 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.811 6.960 -12.118 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.503 7.510 -12.179 1.00 0.00 H new ATOM 1126 N THR A 71 10.108 9.951 -16.285 1.00 0.00 N ATOM 1127 CA THR A 71 9.619 10.146 -17.643 1.00 0.00 C ATOM 1128 C THR A 71 8.089 10.067 -17.559 1.00 0.00 C ATOM 1129 O THR A 71 7.593 9.584 -16.536 1.00 0.00 O ATOM 1130 CB THR A 71 10.234 9.131 -18.621 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.038 7.800 -18.195 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.738 9.354 -18.812 1.00 0.00 C ATOM 0 H THR A 71 9.650 9.173 -15.810 1.00 0.00 H new ATOM 0 HA THR A 71 9.918 11.114 -18.045 1.00 0.00 H new ATOM 0 HB THR A 71 9.719 9.291 -19.568 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.326 7.185 -18.901 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.130 8.615 -19.511 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.910 10.355 -19.209 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.246 9.252 -17.853 1.00 0.00 H new ATOM 1140 N PRO A 72 7.325 10.538 -18.567 1.00 0.00 N ATOM 1141 CA PRO A 72 5.871 10.712 -18.498 1.00 0.00 C ATOM 1142 C PRO A 72 5.036 9.549 -17.947 1.00 0.00 C ATOM 1143 O PRO A 72 3.915 9.789 -17.496 1.00 0.00 O ATOM 1144 CB PRO A 72 5.433 11.071 -19.919 1.00 0.00 C ATOM 1145 CG PRO A 72 6.635 11.843 -20.450 1.00 0.00 C ATOM 1146 CD PRO A 72 7.813 11.100 -19.824 1.00 0.00 C ATOM 0 HA PRO A 72 5.677 11.485 -17.755 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.225 10.183 -20.516 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.527 11.677 -19.923 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.678 11.826 -21.539 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.610 12.890 -20.148 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.173 10.313 -20.487 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.650 11.776 -19.648 1.00 0.00 H new ATOM 1154 N THR A 73 5.551 8.320 -17.940 1.00 0.00 N ATOM 1155 CA THR A 73 4.829 7.113 -17.556 1.00 0.00 C ATOM 1156 C THR A 73 5.497 6.383 -16.379 1.00 0.00 C ATOM 1157 O THR A 73 5.098 5.266 -16.041 1.00 0.00 O ATOM 1158 CB THR A 73 4.671 6.232 -18.814 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.897 6.163 -19.529 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.608 6.806 -19.759 1.00 0.00 C ATOM 0 H THR A 73 6.516 8.134 -18.211 1.00 0.00 H new ATOM 0 HA THR A 73 3.839 7.373 -17.182 1.00 0.00 H new ATOM 0 HB THR A 73 4.370 5.240 -18.477 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.782 5.600 -20.323 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.517 6.166 -20.637 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.649 6.852 -19.243 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.901 7.809 -20.070 1.00 0.00 H new ATOM 1168 N HIS A 74 6.476 7.012 -15.716 1.00 0.00 N ATOM 1169 CA HIS A 74 7.288 6.394 -14.675 1.00 0.00 C ATOM 1170 C HIS A 74 7.363 7.331 -13.475 1.00 0.00 C ATOM 1171 O HIS A 74 8.367 8.010 -13.243 1.00 0.00 O ATOM 1172 CB HIS A 74 8.657 5.997 -15.231 1.00 0.00 C ATOM 1173 CG HIS A 74 8.556 5.004 -16.359 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.649 5.298 -17.697 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.300 3.663 -16.256 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.455 4.165 -18.389 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.243 3.130 -17.553 1.00 0.00 N ATOM 0 H HIS A 74 6.726 7.984 -15.896 1.00 0.00 H new ATOM 0 HA HIS A 74 6.828 5.468 -14.330 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.175 6.889 -15.582 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.261 5.572 -14.430 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.834 6.218 -18.096 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.165 3.112 -15.337 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.467 4.093 -19.467 1.00 0.00 H new ATOM 1185 N ALA A 75 6.242 7.409 -12.755 1.00 0.00 N ATOM 1186 CA ALA A 75 6.154 8.067 -11.461 1.00 0.00 C ATOM 1187 C ALA A 75 6.986 7.268 -10.453 1.00 0.00 C ATOM 1188 O ALA A 75 6.579 6.180 -10.040 1.00 0.00 O ATOM 1189 CB ALA A 75 4.688 8.150 -11.017 1.00 0.00 C ATOM 0 H ALA A 75 5.357 7.008 -13.065 1.00 0.00 H new ATOM 0 HA ALA A 75 6.543 9.083 -11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.629 8.644 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.118 8.720 -11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.274 7.145 -10.938 1.00 0.00 H new ATOM 1195 N MET A 76 8.142 7.809 -10.081 1.00 0.00 N ATOM 1196 CA MET A 76 9.057 7.282 -9.082 1.00 0.00 C ATOM 1197 C MET A 76 8.338 6.931 -7.780 1.00 0.00 C ATOM 1198 O MET A 76 7.880 7.824 -7.063 1.00 0.00 O ATOM 1199 CB MET A 76 10.119 8.359 -8.814 1.00 0.00 C ATOM 1200 CG MET A 76 11.226 7.906 -7.858 1.00 0.00 C ATOM 1201 SD MET A 76 12.300 9.250 -7.287 1.00 0.00 S ATOM 1202 CE MET A 76 13.046 9.838 -8.829 1.00 0.00 C ATOM 0 H MET A 76 8.482 8.677 -10.495 1.00 0.00 H new ATOM 0 HA MET A 76 9.507 6.363 -9.456 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.568 8.657 -9.761 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.632 9.242 -8.400 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.770 7.426 -6.992 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.837 7.153 -8.356 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.670 10.707 -8.623 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.658 9.047 -9.262 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.260 10.115 -9.531 1.00 0.00 H new ATOM 1212 N LYS A 77 8.242 5.645 -7.452 1.00 0.00 N ATOM 1213 CA LYS A 77 7.804 5.233 -6.125 1.00 0.00 C ATOM 1214 C LYS A 77 9.073 5.175 -5.279 1.00 0.00 C ATOM 1215 O LYS A 77 10.127 4.781 -5.784 1.00 0.00 O ATOM 1216 CB LYS A 77 7.134 3.858 -6.173 1.00 0.00 C ATOM 1217 CG LYS A 77 5.700 3.888 -6.722 1.00 0.00 C ATOM 1218 CD LYS A 77 4.953 2.575 -6.424 1.00 0.00 C ATOM 1219 CE LYS A 77 5.532 1.381 -7.197 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.068 0.080 -6.658 1.00 0.00 N ATOM 0 H LYS A 77 8.461 4.875 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 77 7.069 5.925 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.736 3.192 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.120 3.435 -5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.158 4.724 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.725 4.057 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.000 2.369 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.900 2.693 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.248 1.459 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.621 1.420 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.486 -0.694 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.361 -0.009 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.031 0.029 -6.719 1.00 0.00 H new ATOM 1234 N ILE A 78 8.969 5.529 -4.001 1.00 0.00 N ATOM 1235 CA ILE A 78 10.080 5.563 -3.054 1.00 0.00 C ATOM 1236 C ILE A 78 9.563 4.912 -1.775 1.00 0.00 C ATOM 1237 O ILE A 78 8.423 5.163 -1.375 1.00 0.00 O ATOM 1238 CB ILE A 78 10.536 7.019 -2.772 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.776 7.857 -4.048 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.779 7.038 -1.862 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.166 9.312 -3.778 1.00 0.00 C ATOM 0 H ILE A 78 8.082 5.809 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 78 10.947 5.037 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 78 9.705 7.496 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.563 7.385 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.871 7.842 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.080 8.069 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.543 6.555 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.595 6.503 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.316 9.830 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.371 9.804 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.089 9.340 -3.199 1.00 0.00 H new ATOM 1253 N THR A 79 10.417 4.144 -1.113 1.00 0.00 N ATOM 1254 CA THR A 79 10.154 3.422 0.122 1.00 0.00 C ATOM 1255 C THR A 79 11.457 3.408 0.933 1.00 0.00 C ATOM 1256 O THR A 79 12.537 3.521 0.346 1.00 0.00 O ATOM 1257 CB THR A 79 9.655 1.998 -0.219 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.016 1.545 -1.523 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.126 1.955 -0.171 1.00 0.00 C ATOM 0 H THR A 79 11.371 4.000 -1.445 1.00 0.00 H new ATOM 0 HA THR A 79 9.376 3.899 0.718 1.00 0.00 H new ATOM 0 HB THR A 79 10.129 1.354 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.899 1.898 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.783 0.949 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.786 2.225 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.719 2.661 -0.895 1.00 0.00 H new ATOM 1267 N PHE A 80 11.403 3.311 2.265 1.00 0.00 N ATOM 1268 CA PHE A 80 12.630 3.209 3.052 1.00 0.00 C ATOM 1269 C PHE A 80 13.218 1.808 2.864 1.00 0.00 C ATOM 1270 O PHE A 80 12.518 0.810 3.056 1.00 0.00 O ATOM 1271 CB PHE A 80 12.362 3.518 4.531 1.00 0.00 C ATOM 1272 CG PHE A 80 12.053 4.979 4.813 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.014 5.972 4.534 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.811 5.354 5.359 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.715 7.331 4.744 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.523 6.709 5.600 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.465 7.699 5.270 1.00 0.00 C ATOM 0 H PHE A 80 10.541 3.301 2.810 1.00 0.00 H new ATOM 0 HA PHE A 80 13.353 3.947 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.526 2.908 4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.232 3.222 5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 80 13.985 5.688 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.076 4.598 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.445 8.089 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.577 6.990 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.228 8.742 5.421 1.00 0.00 H new ATOM 1287 N ALA A 81 14.498 1.735 2.482 1.00 0.00 N ATOM 1288 CA ALA A 81 15.253 0.487 2.475 1.00 0.00 C ATOM 1289 C ALA A 81 15.697 0.174 3.912 1.00 0.00 C ATOM 1290 O ALA A 81 15.340 0.892 4.851 1.00 0.00 O ATOM 1291 CB ALA A 81 16.451 0.596 1.524 1.00 0.00 C ATOM 0 H ALA A 81 15.036 2.543 2.169 1.00 0.00 H new ATOM 0 HA ALA A 81 14.629 -0.330 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.006 -0.342 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.096 0.803 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.104 1.405 1.852 1.00 0.00 H new