USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.47 K(o=-3.5,f=-4.3!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -7.17! C(o=-7.2!,f=-13!) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.137 F(o=-3.8!,f=-0.14) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.76! C(o=-1.8!,f=-3.5!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.95! C(o=-5!,f=-6.8!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.512) USER MOD Single : A 40 TYR OH : rot -113:sc= 0.17 USER MOD Single : A 41 GLN : amide:sc= -5.85! C(o=-5.8!,f=-6.7!) USER MOD Single : A 42 ASN : amide:sc= -0.785! C(o=-0.78!,f=-8.9!) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -1.04 (180deg=-1.58) USER MOD Single : A 47 MET CE :methyl 141:sc= -0.181 (180deg=-1.08) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -143:sc= -3.48! (180deg=-5.62!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -7.003 0.232 8.194 1.00 0.00 N ATOM 116 CA ILE A 8 -5.964 1.230 7.795 1.00 0.00 C ATOM 117 C ILE A 8 -5.967 2.397 8.790 1.00 0.00 C ATOM 118 O ILE A 8 -5.033 3.170 8.856 1.00 0.00 O ATOM 119 CB ILE A 8 -6.268 1.766 6.381 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.542 0.609 5.390 1.00 0.00 C ATOM 121 CG2 ILE A 8 -5.094 2.614 5.881 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.273 -0.192 5.071 1.00 0.00 C ATOM 0 HA ILE A 8 -4.986 0.748 7.796 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.164 2.383 6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.294 -0.058 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.956 1.014 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.316 2.989 4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.938 3.454 6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.192 2.003 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.514 -0.993 4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.529 0.468 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.873 -0.621 5.990 1.00 0.00 H new ATOM 134 N MET A 9 -7.011 2.534 9.561 1.00 0.00 N ATOM 135 CA MET A 9 -7.071 3.656 10.541 1.00 0.00 C ATOM 136 C MET A 9 -5.912 3.535 11.535 1.00 0.00 C ATOM 137 O MET A 9 -5.690 4.407 12.352 1.00 0.00 O ATOM 138 CB MET A 9 -8.416 3.613 11.290 1.00 0.00 C ATOM 139 CG MET A 9 -8.419 2.483 12.333 1.00 0.00 C ATOM 140 SD MET A 9 -10.124 2.105 12.808 1.00 0.00 S ATOM 141 CE MET A 9 -9.748 1.298 14.383 1.00 0.00 C ATOM 0 H MET A 9 -7.824 1.918 9.555 1.00 0.00 H new ATOM 0 HA MET A 9 -6.987 4.606 10.013 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.595 4.569 11.781 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.229 3.462 10.580 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.939 1.594 11.923 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.844 2.781 13.209 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.675 0.978 14.858 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.113 0.430 14.205 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.229 1.999 15.036 1.00 0.00 H new ATOM 151 N GLU A 10 -5.177 2.459 11.477 1.00 0.00 N ATOM 152 CA GLU A 10 -4.042 2.283 12.424 1.00 0.00 C ATOM 153 C GLU A 10 -2.950 3.308 12.113 1.00 0.00 C ATOM 154 O GLU A 10 -2.035 3.510 12.886 1.00 0.00 O ATOM 155 CB GLU A 10 -3.481 0.864 12.287 1.00 0.00 C ATOM 156 CG GLU A 10 -2.898 0.655 10.883 1.00 0.00 C ATOM 157 CD GLU A 10 -2.475 -0.807 10.726 1.00 0.00 C ATOM 158 OE1 GLU A 10 -3.352 -1.648 10.622 1.00 0.00 O ATOM 159 OE2 GLU A 10 -1.282 -1.060 10.717 1.00 0.00 O ATOM 0 H GLU A 10 -5.314 1.695 10.815 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.391 2.435 13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.708 0.697 13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.269 0.134 12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.638 0.915 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.042 1.312 10.730 1.00 0.00 H new ATOM 166 N ASN A 11 -3.036 3.948 10.979 1.00 0.00 N ATOM 167 CA ASN A 11 -2.003 4.954 10.601 1.00 0.00 C ATOM 168 C ASN A 11 -2.598 5.917 9.562 1.00 0.00 C ATOM 169 O ASN A 11 -2.525 5.661 8.376 1.00 0.00 O ATOM 170 CB ASN A 11 -0.804 4.226 9.982 1.00 0.00 C ATOM 171 CG ASN A 11 -0.063 3.438 11.066 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.224 3.961 12.124 1.00 0.00 O ATOM 173 ND2 ASN A 11 0.263 2.194 10.843 1.00 0.00 N ATOM 0 H ASN A 11 -3.781 3.817 10.295 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.685 5.512 11.482 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.142 3.551 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.130 4.945 9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.759 1.661 11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.022 1.755 9.954 1.00 0.00 H new ATOM 180 N PRO A 12 -3.185 7.014 9.987 1.00 0.00 N ATOM 181 CA PRO A 12 -3.790 8.005 9.047 1.00 0.00 C ATOM 182 C PRO A 12 -2.858 8.318 7.869 1.00 0.00 C ATOM 183 O PRO A 12 -3.256 8.914 6.887 1.00 0.00 O ATOM 184 CB PRO A 12 -4.010 9.241 9.931 1.00 0.00 C ATOM 185 CG PRO A 12 -4.247 8.677 11.295 1.00 0.00 C ATOM 186 CD PRO A 12 -3.343 7.440 11.393 1.00 0.00 C ATOM 0 HA PRO A 12 -4.708 7.640 8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.142 9.900 9.918 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.862 9.829 9.589 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.001 9.405 12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.295 8.409 11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.383 7.680 11.850 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.798 6.658 12.000 1.00 0.00 H new ATOM 194 N ASP A 13 -1.623 7.910 7.964 1.00 0.00 N ATOM 195 CA ASP A 13 -0.655 8.166 6.860 1.00 0.00 C ATOM 196 C ASP A 13 -1.005 7.277 5.666 1.00 0.00 C ATOM 197 O ASP A 13 -1.007 7.714 4.532 1.00 0.00 O ATOM 198 CB ASP A 13 0.759 7.838 7.343 1.00 0.00 C ATOM 199 CG ASP A 13 1.773 8.241 6.271 1.00 0.00 C ATOM 200 OD1 ASP A 13 1.774 7.619 5.221 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.532 9.164 6.517 1.00 0.00 O ATOM 0 H ASP A 13 -1.240 7.407 8.764 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.705 9.213 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.968 8.366 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.844 6.772 7.556 1.00 0.00 H new ATOM 206 N VAL A 14 -1.312 6.031 5.913 1.00 0.00 N ATOM 207 CA VAL A 14 -1.672 5.110 4.798 1.00 0.00 C ATOM 208 C VAL A 14 -3.078 5.450 4.330 1.00 0.00 C ATOM 209 O VAL A 14 -3.378 5.438 3.153 1.00 0.00 O ATOM 210 CB VAL A 14 -1.630 3.664 5.308 1.00 0.00 C ATOM 211 CG1 VAL A 14 -2.035 2.704 4.184 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.210 3.326 5.785 1.00 0.00 C ATOM 0 H VAL A 14 -1.329 5.611 6.842 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.970 5.218 3.971 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.327 3.558 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.003 1.679 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.046 2.939 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.344 2.811 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.183 2.298 6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.489 3.437 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.074 4.002 6.592 1.00 0.00 H new ATOM 222 N ALA A 15 -3.939 5.767 5.248 1.00 0.00 N ATOM 223 CA ALA A 15 -5.325 6.125 4.874 1.00 0.00 C ATOM 224 C ALA A 15 -5.293 7.346 3.957 1.00 0.00 C ATOM 225 O ALA A 15 -6.041 7.440 3.011 1.00 0.00 O ATOM 226 CB ALA A 15 -6.104 6.458 6.140 1.00 0.00 C ATOM 0 H ALA A 15 -3.739 5.793 6.248 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.803 5.294 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.128 6.724 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.112 5.591 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.630 7.298 6.649 1.00 0.00 H new ATOM 232 N MET A 16 -4.423 8.279 4.239 1.00 0.00 N ATOM 233 CA MET A 16 -4.316 9.500 3.389 1.00 0.00 C ATOM 234 C MET A 16 -3.554 9.153 2.115 1.00 0.00 C ATOM 235 O MET A 16 -3.836 9.653 1.044 1.00 0.00 O ATOM 236 CB MET A 16 -3.548 10.574 4.152 1.00 0.00 C ATOM 237 CG MET A 16 -3.628 11.905 3.399 1.00 0.00 C ATOM 238 SD MET A 16 -2.685 13.163 4.297 1.00 0.00 S ATOM 239 CE MET A 16 -2.396 14.275 2.898 1.00 0.00 C ATOM 0 H MET A 16 -3.777 8.247 5.028 1.00 0.00 H new ATOM 0 HA MET A 16 -5.312 9.865 3.138 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.962 10.687 5.154 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.507 10.275 4.270 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.232 11.789 2.390 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.668 12.217 3.299 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.819 15.138 3.232 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.842 13.747 2.122 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.352 14.611 2.497 1.00 0.00 H new ATOM 249 N ALA A 17 -2.579 8.299 2.233 1.00 0.00 N ATOM 250 CA ALA A 17 -1.785 7.911 1.040 1.00 0.00 C ATOM 251 C ALA A 17 -2.684 7.106 0.113 1.00 0.00 C ATOM 252 O ALA A 17 -2.553 7.141 -1.092 1.00 0.00 O ATOM 253 CB ALA A 17 -0.591 7.061 1.476 1.00 0.00 C ATOM 0 H ALA A 17 -2.298 7.853 3.106 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.414 8.797 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.008 6.776 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.036 7.636 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.948 6.164 1.982 1.00 0.00 H new ATOM 259 N PHE A 18 -3.608 6.387 0.679 1.00 0.00 N ATOM 260 CA PHE A 18 -4.541 5.577 -0.151 1.00 0.00 C ATOM 261 C PHE A 18 -5.192 6.481 -1.215 1.00 0.00 C ATOM 262 O PHE A 18 -5.631 6.015 -2.247 1.00 0.00 O ATOM 263 CB PHE A 18 -5.622 4.977 0.776 1.00 0.00 C ATOM 264 CG PHE A 18 -5.334 3.516 1.086 1.00 0.00 C ATOM 265 CD1 PHE A 18 -4.027 3.101 1.375 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.380 2.580 1.096 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.767 1.757 1.669 1.00 0.00 C ATOM 268 CE2 PHE A 18 -6.118 1.238 1.391 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.812 0.826 1.677 1.00 0.00 C ATOM 0 H PHE A 18 -3.759 6.324 1.686 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.005 4.773 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.665 5.546 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.600 5.065 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.220 3.818 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.389 2.897 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.759 1.438 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.924 0.520 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.610 -0.210 1.904 1.00 0.00 H new ATOM 279 N GLN A 19 -5.263 7.769 -0.972 1.00 0.00 N ATOM 280 CA GLN A 19 -5.893 8.687 -1.975 1.00 0.00 C ATOM 281 C GLN A 19 -4.858 9.117 -3.018 1.00 0.00 C ATOM 282 O GLN A 19 -5.004 10.142 -3.653 1.00 0.00 O ATOM 283 CB GLN A 19 -6.439 9.933 -1.266 1.00 0.00 C ATOM 284 CG GLN A 19 -7.640 9.549 -0.398 1.00 0.00 C ATOM 285 CD GLN A 19 -7.169 8.677 0.760 1.00 0.00 C ATOM 286 OE1 GLN A 19 -6.025 8.745 1.147 1.00 0.00 O ATOM 287 NE2 GLN A 19 -8.007 7.855 1.330 1.00 0.00 N ATOM 0 H GLN A 19 -4.914 8.222 -0.127 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.708 8.158 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.661 10.382 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.734 10.681 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.129 10.446 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.378 9.013 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.971 7.800 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.698 7.267 2.104 1.00 0.00 H new ATOM 296 N ASN A 20 -3.827 8.332 -3.215 1.00 0.00 N ATOM 297 CA ASN A 20 -2.787 8.675 -4.234 1.00 0.00 C ATOM 298 C ASN A 20 -2.946 7.691 -5.399 1.00 0.00 C ATOM 299 O ASN A 20 -3.271 6.540 -5.186 1.00 0.00 O ATOM 300 CB ASN A 20 -1.391 8.527 -3.610 1.00 0.00 C ATOM 301 CG ASN A 20 -1.126 9.695 -2.656 1.00 0.00 C ATOM 302 OD1 ASN A 20 -2.107 10.172 -1.940 1.00 0.00 O flip ATOM 303 ND2 ASN A 20 -0.015 10.178 -2.563 1.00 0.00 N flip ATOM 0 H ASN A 20 -3.661 7.462 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.903 9.702 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.321 7.582 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.633 8.505 -4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.752 9.805 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.151 10.956 -1.925 1.00 0.00 H new ATOM 310 N PRO A 21 -2.743 8.118 -6.621 1.00 0.00 N ATOM 311 CA PRO A 21 -2.901 7.215 -7.796 1.00 0.00 C ATOM 312 C PRO A 21 -1.802 6.149 -7.839 1.00 0.00 C ATOM 313 O PRO A 21 -2.058 4.987 -8.085 1.00 0.00 O ATOM 314 CB PRO A 21 -2.811 8.166 -9.002 1.00 0.00 C ATOM 315 CG PRO A 21 -1.988 9.317 -8.512 1.00 0.00 C ATOM 316 CD PRO A 21 -2.340 9.478 -7.029 1.00 0.00 C ATOM 0 HA PRO A 21 -3.836 6.655 -7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.343 7.679 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.800 8.494 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.924 9.121 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.215 10.226 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.488 9.835 -6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.147 10.196 -6.884 1.00 0.00 H new ATOM 324 N ARG A 22 -0.584 6.538 -7.592 1.00 0.00 N ATOM 325 CA ARG A 22 0.531 5.553 -7.606 1.00 0.00 C ATOM 326 C ARG A 22 0.258 4.483 -6.547 1.00 0.00 C ATOM 327 O ARG A 22 0.563 3.320 -6.727 1.00 0.00 O ATOM 328 CB ARG A 22 1.842 6.278 -7.284 1.00 0.00 C ATOM 329 CG ARG A 22 2.104 7.376 -8.331 1.00 0.00 C ATOM 330 CD ARG A 22 3.163 8.353 -7.809 1.00 0.00 C ATOM 331 NE ARG A 22 2.587 9.160 -6.695 1.00 0.00 N ATOM 332 CZ ARG A 22 3.251 10.173 -6.205 1.00 0.00 C ATOM 333 NH1 ARG A 22 4.424 10.484 -6.689 1.00 0.00 N ATOM 334 NH2 ARG A 22 2.742 10.876 -5.231 1.00 0.00 N ATOM 0 H ARG A 22 -0.312 7.498 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 22 0.609 5.084 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.789 6.718 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.668 5.567 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.440 6.927 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.180 7.911 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.039 7.805 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.496 9.009 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 22 1.672 8.920 -6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.823 9.936 -7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.941 11.275 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.826 10.635 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.260 11.667 -4.848 1.00 0.00 H new ATOM 348 N VAL A 23 -0.324 4.874 -5.445 1.00 0.00 N ATOM 349 CA VAL A 23 -0.636 3.895 -4.363 1.00 0.00 C ATOM 350 C VAL A 23 -1.838 3.050 -4.782 1.00 0.00 C ATOM 351 O VAL A 23 -1.788 1.836 -4.776 1.00 0.00 O ATOM 352 CB VAL A 23 -0.964 4.655 -3.075 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.296 3.665 -1.953 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.248 5.499 -2.671 1.00 0.00 C ATOM 0 H VAL A 23 -0.599 5.836 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 23 0.222 3.245 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.826 5.301 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.528 4.214 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.157 3.062 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.440 3.014 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.023 6.044 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.106 4.847 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.479 6.207 -3.466 1.00 0.00 H new ATOM 364 N GLN A 24 -2.917 3.683 -5.160 1.00 0.00 N ATOM 365 CA GLN A 24 -4.119 2.915 -5.595 1.00 0.00 C ATOM 366 C GLN A 24 -3.702 1.950 -6.704 1.00 0.00 C ATOM 367 O GLN A 24 -4.210 0.853 -6.818 1.00 0.00 O ATOM 368 CB GLN A 24 -5.182 3.881 -6.123 1.00 0.00 C ATOM 369 CG GLN A 24 -6.460 3.106 -6.453 1.00 0.00 C ATOM 370 CD GLN A 24 -7.572 4.088 -6.827 1.00 0.00 C ATOM 371 OE1 GLN A 24 -7.369 5.286 -6.819 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.749 3.629 -7.156 1.00 0.00 N ATOM 0 H GLN A 24 -3.017 4.698 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.534 2.359 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.392 4.649 -5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.814 4.392 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.277 2.417 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.765 2.505 -5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.921 2.624 -7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.497 4.276 -7.406 1.00 0.00 H new ATOM 381 N ALA A 25 -2.765 2.358 -7.514 1.00 0.00 N ATOM 382 CA ALA A 25 -2.283 1.480 -8.613 1.00 0.00 C ATOM 383 C ALA A 25 -1.465 0.338 -8.013 1.00 0.00 C ATOM 384 O ALA A 25 -1.453 -0.765 -8.521 1.00 0.00 O ATOM 385 CB ALA A 25 -1.403 2.301 -9.556 1.00 0.00 C ATOM 0 H ALA A 25 -2.310 3.269 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.129 1.072 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.045 1.665 -10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.984 3.124 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.552 2.700 -9.004 1.00 0.00 H new ATOM 391 N ALA A 26 -0.787 0.595 -6.930 1.00 0.00 N ATOM 392 CA ALA A 26 0.024 -0.475 -6.289 1.00 0.00 C ATOM 393 C ALA A 26 -0.917 -1.535 -5.714 1.00 0.00 C ATOM 394 O ALA A 26 -0.717 -2.720 -5.893 1.00 0.00 O ATOM 395 CB ALA A 26 0.870 0.134 -5.169 1.00 0.00 C ATOM 0 H ALA A 26 -0.760 1.500 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 26 0.684 -0.936 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.466 -0.647 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.532 0.894 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.216 0.590 -4.426 1.00 0.00 H new ATOM 401 N LEU A 27 -1.950 -1.117 -5.031 1.00 0.00 N ATOM 402 CA LEU A 27 -2.913 -2.098 -4.452 1.00 0.00 C ATOM 403 C LEU A 27 -3.732 -2.717 -5.582 1.00 0.00 C ATOM 404 O LEU A 27 -3.912 -3.916 -5.648 1.00 0.00 O ATOM 405 CB LEU A 27 -3.853 -1.381 -3.478 1.00 0.00 C ATOM 406 CG LEU A 27 -3.046 -0.745 -2.327 1.00 0.00 C ATOM 407 CD1 LEU A 27 -3.897 0.326 -1.638 1.00 0.00 C ATOM 408 CD2 LEU A 27 -2.650 -1.814 -1.292 1.00 0.00 C ATOM 0 H LEU A 27 -2.168 -0.137 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.367 -2.877 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.416 -0.611 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.579 -2.088 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.142 -0.297 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.327 0.776 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.168 1.096 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.802 -0.130 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.081 -1.348 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.549 -2.274 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.039 -2.578 -1.773 1.00 0.00 H new ATOM 420 N MET A 28 -4.224 -1.909 -6.482 1.00 0.00 N ATOM 421 CA MET A 28 -5.020 -2.459 -7.613 1.00 0.00 C ATOM 422 C MET A 28 -4.152 -3.468 -8.366 1.00 0.00 C ATOM 423 O MET A 28 -4.603 -4.526 -8.756 1.00 0.00 O ATOM 424 CB MET A 28 -5.431 -1.318 -8.554 1.00 0.00 C ATOM 425 CG MET A 28 -6.451 -1.825 -9.580 1.00 0.00 C ATOM 426 SD MET A 28 -8.033 -2.138 -8.758 1.00 0.00 S ATOM 427 CE MET A 28 -8.938 -2.710 -10.217 1.00 0.00 C ATOM 0 H MET A 28 -4.109 -0.896 -6.482 1.00 0.00 H new ATOM 0 HA MET A 28 -5.920 -2.948 -7.240 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.859 -0.497 -7.978 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.553 -0.924 -9.066 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.581 -1.089 -10.373 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.086 -2.739 -10.050 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.960 -2.963 -9.935 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.954 -1.920 -10.968 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.446 -3.592 -10.628 1.00 0.00 H new ATOM 437 N GLU A 29 -2.900 -3.148 -8.558 1.00 0.00 N ATOM 438 CA GLU A 29 -1.989 -4.087 -9.266 1.00 0.00 C ATOM 439 C GLU A 29 -1.648 -5.248 -8.329 1.00 0.00 C ATOM 440 O GLU A 29 -1.384 -6.351 -8.765 1.00 0.00 O ATOM 441 CB GLU A 29 -0.704 -3.350 -9.664 1.00 0.00 C ATOM 442 CG GLU A 29 0.152 -4.236 -10.580 1.00 0.00 C ATOM 443 CD GLU A 29 -0.524 -4.374 -11.947 1.00 0.00 C ATOM 444 OE1 GLU A 29 -1.104 -3.401 -12.400 1.00 0.00 O ATOM 445 OE2 GLU A 29 -0.449 -5.450 -12.517 1.00 0.00 O ATOM 0 H GLU A 29 -2.470 -2.274 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.475 -4.470 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.953 -2.420 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.138 -3.083 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.145 -3.802 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.285 -5.219 -10.129 1.00 0.00 H new ATOM 452 N CYS A 30 -1.648 -5.011 -7.042 1.00 0.00 N ATOM 453 CA CYS A 30 -1.318 -6.112 -6.088 1.00 0.00 C ATOM 454 C CYS A 30 -2.261 -7.294 -6.325 1.00 0.00 C ATOM 455 O CYS A 30 -1.861 -8.440 -6.273 1.00 0.00 O ATOM 456 CB CYS A 30 -1.472 -5.614 -4.649 1.00 0.00 C ATOM 457 SG CYS A 30 -0.828 -6.863 -3.508 1.00 0.00 S ATOM 0 H CYS A 30 -1.860 -4.110 -6.613 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.288 -6.431 -6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.935 -4.675 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.521 -5.414 -4.432 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.956 -6.441 -2.285 1.00 0.00 H new ATOM 463 N SER A 31 -3.513 -7.024 -6.582 1.00 0.00 N ATOM 464 CA SER A 31 -4.484 -8.122 -6.818 1.00 0.00 C ATOM 465 C SER A 31 -3.945 -9.079 -7.887 1.00 0.00 C ATOM 466 O SER A 31 -4.272 -10.249 -7.907 1.00 0.00 O ATOM 467 CB SER A 31 -5.814 -7.532 -7.290 1.00 0.00 C ATOM 468 OG SER A 31 -6.275 -6.589 -6.332 1.00 0.00 O ATOM 0 H SER A 31 -3.903 -6.083 -6.638 1.00 0.00 H new ATOM 0 HA SER A 31 -4.633 -8.672 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.688 -7.051 -8.260 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.551 -8.325 -7.421 1.00 0.00 H new ATOM 0 HG SER A 31 -7.126 -6.207 -6.632 1.00 0.00 H new ATOM 474 N GLU A 32 -3.122 -8.590 -8.777 1.00 0.00 N ATOM 475 CA GLU A 32 -2.567 -9.474 -9.842 1.00 0.00 C ATOM 476 C GLU A 32 -1.562 -10.446 -9.228 1.00 0.00 C ATOM 477 O GLU A 32 -1.685 -11.647 -9.362 1.00 0.00 O ATOM 478 CB GLU A 32 -1.853 -8.621 -10.893 1.00 0.00 C ATOM 479 CG GLU A 32 -2.847 -7.645 -11.531 1.00 0.00 C ATOM 480 CD GLU A 32 -3.861 -8.420 -12.375 1.00 0.00 C ATOM 481 OE1 GLU A 32 -3.583 -8.644 -13.542 1.00 0.00 O ATOM 482 OE2 GLU A 32 -4.898 -8.777 -11.841 1.00 0.00 O ATOM 0 H GLU A 32 -2.811 -7.619 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.381 -10.030 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.033 -8.070 -10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.416 -9.262 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.362 -7.077 -10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.316 -6.925 -12.154 1.00 0.00 H new ATOM 489 N ASN A 33 -0.565 -9.933 -8.557 1.00 0.00 N ATOM 490 CA ASN A 33 0.461 -10.820 -7.934 1.00 0.00 C ATOM 491 C ASN A 33 1.579 -9.940 -7.345 1.00 0.00 C ATOM 492 O ASN A 33 1.756 -8.814 -7.766 1.00 0.00 O ATOM 493 CB ASN A 33 1.049 -11.764 -9.008 1.00 0.00 C ATOM 494 CG ASN A 33 1.083 -11.050 -10.363 1.00 0.00 C ATOM 495 OD1 ASN A 33 1.224 -9.845 -10.424 1.00 0.00 O ATOM 496 ND2 ASN A 33 0.959 -11.749 -11.458 1.00 0.00 N ATOM 0 H ASN A 33 -0.417 -8.934 -8.413 1.00 0.00 H new ATOM 0 HA ASN A 33 0.008 -11.420 -7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.055 -12.072 -8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.447 -12.670 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.980 -11.284 -12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.841 -12.761 -11.407 1.00 0.00 H new ATOM 503 N PRO A 34 2.337 -10.440 -6.391 1.00 0.00 N ATOM 504 CA PRO A 34 3.457 -9.663 -5.774 1.00 0.00 C ATOM 505 C PRO A 34 4.328 -8.951 -6.823 1.00 0.00 C ATOM 506 O PRO A 34 5.171 -8.141 -6.493 1.00 0.00 O ATOM 507 CB PRO A 34 4.269 -10.736 -5.035 1.00 0.00 C ATOM 508 CG PRO A 34 3.262 -11.774 -4.655 1.00 0.00 C ATOM 509 CD PRO A 34 2.217 -11.785 -5.781 1.00 0.00 C ATOM 0 HA PRO A 34 3.091 -8.866 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.048 -11.154 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.764 -10.323 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.731 -12.752 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.800 -11.537 -3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.420 -12.572 -6.507 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.213 -11.960 -5.393 1.00 0.00 H new ATOM 517 N MET A 35 4.133 -9.248 -8.080 1.00 0.00 N ATOM 518 CA MET A 35 4.950 -8.589 -9.136 1.00 0.00 C ATOM 519 C MET A 35 4.596 -7.103 -9.178 1.00 0.00 C ATOM 520 O MET A 35 5.227 -6.321 -9.859 1.00 0.00 O ATOM 521 CB MET A 35 4.652 -9.235 -10.499 1.00 0.00 C ATOM 522 CG MET A 35 5.351 -10.596 -10.596 1.00 0.00 C ATOM 523 SD MET A 35 4.725 -11.698 -9.304 1.00 0.00 S ATOM 524 CE MET A 35 6.114 -12.860 -9.297 1.00 0.00 C ATOM 0 H MET A 35 3.443 -9.918 -8.420 1.00 0.00 H new ATOM 0 HA MET A 35 6.010 -8.708 -8.913 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.576 -9.359 -10.625 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.994 -8.583 -11.303 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.177 -11.036 -11.578 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.428 -10.470 -10.490 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.933 -13.639 -8.557 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.214 -13.313 -10.283 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.032 -12.328 -9.047 1.00 0.00 H new ATOM 534 N ASN A 36 3.590 -6.709 -8.449 1.00 0.00 N ATOM 535 CA ASN A 36 3.195 -5.275 -8.442 1.00 0.00 C ATOM 536 C ASN A 36 4.392 -4.425 -8.015 1.00 0.00 C ATOM 537 O ASN A 36 4.789 -3.501 -8.695 1.00 0.00 O ATOM 538 CB ASN A 36 2.047 -5.065 -7.445 1.00 0.00 C ATOM 539 CG ASN A 36 2.332 -5.857 -6.168 1.00 0.00 C ATOM 540 OD1 ASN A 36 2.031 -7.031 -6.087 1.00 0.00 O ATOM 541 ND2 ASN A 36 2.906 -5.260 -5.159 1.00 0.00 N ATOM 0 H ASN A 36 3.025 -7.319 -7.858 1.00 0.00 H new ATOM 0 HA ASN A 36 2.870 -4.982 -9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.942 -4.005 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.104 -5.390 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.102 -5.779 -4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.159 -4.274 -5.226 1.00 0.00 H new ATOM 548 N ILE A 37 4.957 -4.729 -6.881 1.00 0.00 N ATOM 549 CA ILE A 37 6.115 -3.938 -6.387 1.00 0.00 C ATOM 550 C ILE A 37 7.315 -4.141 -7.319 1.00 0.00 C ATOM 551 O ILE A 37 8.206 -3.317 -7.386 1.00 0.00 O ATOM 552 CB ILE A 37 6.449 -4.389 -4.949 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.260 -3.295 -4.226 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.256 -5.700 -4.967 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.397 -2.039 -3.991 1.00 0.00 C ATOM 0 H ILE A 37 4.665 -5.494 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 37 5.870 -2.876 -6.377 1.00 0.00 H new ATOM 0 HB ILE A 37 5.513 -4.558 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.623 -3.676 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.136 -3.034 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.482 -6.002 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.672 -6.480 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.186 -5.547 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.990 -1.281 -3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.056 -1.648 -4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.534 -2.300 -3.378 1.00 0.00 H new ATOM 567 N MET A 38 7.344 -5.228 -8.041 1.00 0.00 N ATOM 568 CA MET A 38 8.484 -5.476 -8.970 1.00 0.00 C ATOM 569 C MET A 38 8.378 -4.527 -10.166 1.00 0.00 C ATOM 570 O MET A 38 8.884 -4.803 -11.236 1.00 0.00 O ATOM 571 CB MET A 38 8.435 -6.925 -9.463 1.00 0.00 C ATOM 572 CG MET A 38 8.595 -7.881 -8.278 1.00 0.00 C ATOM 573 SD MET A 38 10.290 -7.785 -7.649 1.00 0.00 S ATOM 574 CE MET A 38 10.289 -9.360 -6.758 1.00 0.00 C ATOM 0 H MET A 38 6.628 -5.955 -8.028 1.00 0.00 H new ATOM 0 HA MET A 38 9.425 -5.302 -8.448 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.489 -7.115 -9.970 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.227 -7.098 -10.191 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.888 -7.622 -7.490 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.368 -8.901 -8.587 1.00 0.00 H new ATOM 0 HE1 MET A 38 11.258 -9.510 -6.283 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.509 -9.347 -5.996 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.099 -10.174 -7.458 1.00 0.00 H new ATOM 584 N LYS A 39 7.722 -3.408 -9.990 1.00 0.00 N ATOM 585 CA LYS A 39 7.572 -2.426 -11.105 1.00 0.00 C ATOM 586 C LYS A 39 7.567 -1.010 -10.523 1.00 0.00 C ATOM 587 O LYS A 39 8.126 -0.093 -11.091 1.00 0.00 O ATOM 588 CB LYS A 39 6.249 -2.679 -11.834 1.00 0.00 C ATOM 589 CG LYS A 39 6.248 -4.093 -12.432 1.00 0.00 C ATOM 590 CD LYS A 39 5.058 -4.256 -13.389 1.00 0.00 C ATOM 591 CE LYS A 39 3.733 -4.108 -12.624 1.00 0.00 C ATOM 592 NZ LYS A 39 2.630 -4.707 -13.429 1.00 0.00 N ATOM 0 H LYS A 39 7.280 -3.131 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 39 8.399 -2.536 -11.807 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.414 -2.566 -11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.111 -1.940 -12.623 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.182 -4.272 -12.965 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.189 -4.834 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.114 -3.509 -14.180 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.101 -5.233 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.802 -4.603 -11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.527 -3.055 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.778 -4.117 -13.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.917 -4.758 -14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.425 -5.664 -13.078 1.00 0.00 H new ATOM 606 N TYR A 40 6.943 -0.825 -9.387 1.00 0.00 N ATOM 607 CA TYR A 40 6.903 0.525 -8.762 1.00 0.00 C ATOM 608 C TYR A 40 8.204 0.767 -7.999 1.00 0.00 C ATOM 609 O TYR A 40 8.375 1.782 -7.354 1.00 0.00 O ATOM 610 CB TYR A 40 5.727 0.595 -7.790 1.00 0.00 C ATOM 611 CG TYR A 40 4.450 0.255 -8.522 1.00 0.00 C ATOM 612 CD1 TYR A 40 3.977 1.117 -9.517 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.741 -0.914 -8.213 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.799 0.814 -10.205 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.562 -1.216 -8.901 1.00 0.00 C ATOM 616 CZ TYR A 40 2.090 -0.353 -9.898 1.00 0.00 C ATOM 617 OH TYR A 40 0.927 -0.653 -10.577 1.00 0.00 O ATOM 0 H TYR A 40 6.459 -1.556 -8.866 1.00 0.00 H new ATOM 0 HA TYR A 40 6.786 1.284 -9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.882 -0.099 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.657 1.593 -7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.523 2.018 -9.754 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.105 -1.580 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.436 1.480 -10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.014 -2.116 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 40 0.166 -0.597 -9.962 1.00 0.00 H new ATOM 627 N GLN A 41 9.126 -0.157 -8.067 1.00 0.00 N ATOM 628 CA GLN A 41 10.418 0.023 -7.344 1.00 0.00 C ATOM 629 C GLN A 41 11.006 1.393 -7.692 1.00 0.00 C ATOM 630 O GLN A 41 11.769 1.964 -6.938 1.00 0.00 O ATOM 631 CB GLN A 41 11.403 -1.094 -7.736 1.00 0.00 C ATOM 632 CG GLN A 41 11.423 -1.297 -9.260 1.00 0.00 C ATOM 633 CD GLN A 41 12.091 -0.101 -9.942 1.00 0.00 C ATOM 634 OE1 GLN A 41 11.650 0.341 -10.984 1.00 0.00 O ATOM 635 NE2 GLN A 41 13.144 0.443 -9.396 1.00 0.00 N ATOM 0 H GLN A 41 9.040 -1.028 -8.592 1.00 0.00 H new ATOM 0 HA GLN A 41 10.243 -0.031 -6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.404 -0.842 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.118 -2.024 -7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.961 -2.213 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.405 -1.416 -9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.514 0.072 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.597 1.240 -9.844 1.00 0.00 H new ATOM 644 N ASN A 42 10.640 1.931 -8.825 1.00 0.00 N ATOM 645 CA ASN A 42 11.154 3.273 -9.222 1.00 0.00 C ATOM 646 C ASN A 42 10.264 4.343 -8.590 1.00 0.00 C ATOM 647 O ASN A 42 10.675 5.468 -8.385 1.00 0.00 O ATOM 648 CB ASN A 42 11.111 3.408 -10.746 1.00 0.00 C ATOM 649 CG ASN A 42 9.708 3.065 -11.250 1.00 0.00 C ATOM 650 OD1 ASN A 42 9.081 2.147 -10.759 1.00 0.00 O ATOM 651 ND2 ASN A 42 9.184 3.770 -12.215 1.00 0.00 N ATOM 0 H ASN A 42 10.005 1.497 -9.495 1.00 0.00 H new ATOM 0 HA ASN A 42 12.183 3.394 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.376 4.424 -11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.845 2.743 -11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.248 3.551 -12.557 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.710 4.541 -12.627 1.00 0.00 H new ATOM 658 N ASP A 43 9.041 3.996 -8.276 1.00 0.00 N ATOM 659 CA ASP A 43 8.114 4.986 -7.654 1.00 0.00 C ATOM 660 C ASP A 43 8.426 5.094 -6.154 1.00 0.00 C ATOM 661 O ASP A 43 7.853 4.400 -5.335 1.00 0.00 O ATOM 662 CB ASP A 43 6.666 4.513 -7.863 1.00 0.00 C ATOM 663 CG ASP A 43 5.706 5.694 -7.708 1.00 0.00 C ATOM 664 OD1 ASP A 43 5.939 6.510 -6.832 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.755 5.762 -8.470 1.00 0.00 O ATOM 0 H ASP A 43 8.645 3.068 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 43 8.242 5.966 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.557 4.072 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.420 3.736 -7.140 1.00 0.00 H new ATOM 670 N LYS A 44 9.344 5.953 -5.795 1.00 0.00 N ATOM 671 CA LYS A 44 9.725 6.103 -4.365 1.00 0.00 C ATOM 672 C LYS A 44 8.477 6.264 -3.490 1.00 0.00 C ATOM 673 O LYS A 44 8.476 5.906 -2.328 1.00 0.00 O ATOM 674 CB LYS A 44 10.624 7.338 -4.211 1.00 0.00 C ATOM 675 CG LYS A 44 11.285 7.341 -2.823 1.00 0.00 C ATOM 676 CD LYS A 44 11.914 8.713 -2.539 1.00 0.00 C ATOM 677 CE LYS A 44 12.907 9.082 -3.650 1.00 0.00 C ATOM 678 NZ LYS A 44 13.718 7.886 -4.014 1.00 0.00 N ATOM 0 H LYS A 44 9.849 6.561 -6.440 1.00 0.00 H new ATOM 0 HA LYS A 44 10.261 5.210 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.390 7.339 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.035 8.245 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.544 7.107 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.049 6.565 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.134 9.472 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.425 8.695 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.370 9.449 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.560 9.888 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.658 8.190 -4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.821 7.270 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.241 7.362 -4.775 1.00 0.00 H new ATOM 692 N GLU A 45 7.416 6.796 -4.030 1.00 0.00 N ATOM 693 CA GLU A 45 6.183 6.969 -3.212 1.00 0.00 C ATOM 694 C GLU A 45 5.630 5.592 -2.835 1.00 0.00 C ATOM 695 O GLU A 45 5.397 5.301 -1.680 1.00 0.00 O ATOM 696 CB GLU A 45 5.136 7.745 -4.025 1.00 0.00 C ATOM 697 CG GLU A 45 3.970 8.165 -3.117 1.00 0.00 C ATOM 698 CD GLU A 45 4.433 9.260 -2.152 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.337 10.421 -2.515 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.876 8.918 -1.068 1.00 0.00 O ATOM 0 H GLU A 45 7.349 7.117 -4.996 1.00 0.00 H new ATOM 0 HA GLU A 45 6.418 7.525 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.593 8.626 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.766 7.126 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.139 8.528 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.605 7.304 -2.557 1.00 0.00 H new ATOM 707 N VAL A 46 5.423 4.741 -3.800 1.00 0.00 N ATOM 708 CA VAL A 46 4.886 3.386 -3.503 1.00 0.00 C ATOM 709 C VAL A 46 5.870 2.621 -2.622 1.00 0.00 C ATOM 710 O VAL A 46 5.485 1.797 -1.834 1.00 0.00 O ATOM 711 CB VAL A 46 4.694 2.617 -4.810 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.053 1.256 -4.524 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.791 3.419 -5.750 1.00 0.00 C ATOM 0 H VAL A 46 5.604 4.927 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 46 3.932 3.487 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 46 5.665 2.465 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.919 0.713 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.700 0.682 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.084 1.403 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.655 2.869 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.822 3.576 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.252 4.384 -5.962 1.00 0.00 H new ATOM 723 N MET A 47 7.138 2.875 -2.759 1.00 0.00 N ATOM 724 CA MET A 47 8.134 2.136 -1.930 1.00 0.00 C ATOM 725 C MET A 47 7.909 2.445 -0.453 1.00 0.00 C ATOM 726 O MET A 47 7.814 1.558 0.365 1.00 0.00 O ATOM 727 CB MET A 47 9.550 2.554 -2.330 1.00 0.00 C ATOM 728 CG MET A 47 9.825 2.113 -3.770 1.00 0.00 C ATOM 729 SD MET A 47 11.438 2.744 -4.303 1.00 0.00 S ATOM 730 CE MET A 47 12.471 1.810 -3.143 1.00 0.00 C ATOM 0 H MET A 47 7.530 3.559 -3.406 1.00 0.00 H new ATOM 0 HA MET A 47 8.012 1.066 -2.096 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.660 3.635 -2.242 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.278 2.104 -1.655 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.809 1.025 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 47 9.042 2.485 -4.431 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.379 1.480 -3.648 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.737 2.446 -2.299 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.920 0.941 -2.783 1.00 0.00 H new ATOM 740 N ASP A 48 7.830 3.692 -0.105 1.00 0.00 N ATOM 741 CA ASP A 48 7.620 4.057 1.322 1.00 0.00 C ATOM 742 C ASP A 48 6.290 3.488 1.817 1.00 0.00 C ATOM 743 O ASP A 48 6.130 3.146 2.973 1.00 0.00 O ATOM 744 CB ASP A 48 7.575 5.588 1.433 1.00 0.00 C ATOM 745 CG ASP A 48 7.895 6.023 2.867 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.062 6.228 3.157 1.00 0.00 O ATOM 747 OD2 ASP A 48 6.966 6.144 3.649 1.00 0.00 O ATOM 0 H ASP A 48 7.902 4.481 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 48 8.432 3.651 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.292 6.031 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.588 5.952 1.146 1.00 0.00 H new ATOM 752 N VAL A 49 5.328 3.425 0.950 1.00 0.00 N ATOM 753 CA VAL A 49 3.984 2.934 1.342 1.00 0.00 C ATOM 754 C VAL A 49 3.968 1.410 1.425 1.00 0.00 C ATOM 755 O VAL A 49 3.592 0.838 2.426 1.00 0.00 O ATOM 756 CB VAL A 49 2.993 3.420 0.286 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.588 2.919 0.620 1.00 0.00 C ATOM 758 CG2 VAL A 49 3.009 4.958 0.258 1.00 0.00 C ATOM 0 H VAL A 49 5.416 3.697 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 49 3.714 3.316 2.327 1.00 0.00 H new ATOM 0 HB VAL A 49 3.278 3.032 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.887 3.270 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.586 1.829 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.288 3.300 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.305 5.316 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.722 5.343 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.011 5.307 0.010 1.00 0.00 H new ATOM 768 N PHE A 50 4.362 0.752 0.381 1.00 0.00 N ATOM 769 CA PHE A 50 4.360 -0.734 0.389 1.00 0.00 C ATOM 770 C PHE A 50 5.415 -1.232 1.376 1.00 0.00 C ATOM 771 O PHE A 50 5.300 -2.306 1.934 1.00 0.00 O ATOM 772 CB PHE A 50 4.636 -1.253 -1.038 1.00 0.00 C ATOM 773 CG PHE A 50 3.336 -1.749 -1.637 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.235 -0.887 -1.681 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.220 -3.059 -2.122 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.020 -1.327 -2.212 1.00 0.00 C ATOM 777 CE2 PHE A 50 2.002 -3.500 -2.652 1.00 0.00 C ATOM 778 CZ PHE A 50 0.902 -2.634 -2.698 1.00 0.00 C ATOM 0 H PHE A 50 4.688 1.180 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 50 3.388 -1.111 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.056 -0.458 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.371 -2.058 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.325 0.121 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.068 -3.726 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.172 -0.659 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.910 -4.509 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.037 -2.975 -3.108 1.00 0.00 H new ATOM 788 N ASN A 51 6.431 -0.453 1.611 1.00 0.00 N ATOM 789 CA ASN A 51 7.480 -0.876 2.580 1.00 0.00 C ATOM 790 C ASN A 51 6.963 -0.614 3.988 1.00 0.00 C ATOM 791 O ASN A 51 7.341 -1.274 4.935 1.00 0.00 O ATOM 792 CB ASN A 51 8.763 -0.073 2.351 1.00 0.00 C ATOM 793 CG ASN A 51 9.852 -0.572 3.303 1.00 0.00 C ATOM 794 OD1 ASN A 51 10.212 0.109 4.243 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.396 -1.740 3.097 1.00 0.00 N ATOM 0 H ASN A 51 6.582 0.457 1.176 1.00 0.00 H new ATOM 0 HA ASN A 51 7.702 -1.935 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.092 -0.179 1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.576 0.988 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.124 -2.082 3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.094 -2.311 2.308 1.00 0.00 H new ATOM 802 N LYS A 52 6.079 0.340 4.132 1.00 0.00 N ATOM 803 CA LYS A 52 5.517 0.633 5.478 1.00 0.00 C ATOM 804 C LYS A 52 4.415 -0.381 5.754 1.00 0.00 C ATOM 805 O LYS A 52 4.270 -0.899 6.843 1.00 0.00 O ATOM 806 CB LYS A 52 4.946 2.058 5.497 1.00 0.00 C ATOM 807 CG LYS A 52 4.170 2.301 6.805 1.00 0.00 C ATOM 808 CD LYS A 52 4.060 3.808 7.086 1.00 0.00 C ATOM 809 CE LYS A 52 3.411 4.527 5.894 1.00 0.00 C ATOM 810 NZ LYS A 52 4.415 4.696 4.806 1.00 0.00 N ATOM 0 H LYS A 52 5.725 0.926 3.376 1.00 0.00 H new ATOM 0 HA LYS A 52 6.290 0.563 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.755 2.783 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.287 2.205 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.174 1.864 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.676 1.805 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.468 3.975 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.050 4.223 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.559 3.953 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.031 5.500 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.269 5.613 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.373 4.661 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.305 3.931 4.110 1.00 0.00 H new ATOM 824 N ILE A 53 3.646 -0.661 4.750 1.00 0.00 N ATOM 825 CA ILE A 53 2.537 -1.636 4.878 1.00 0.00 C ATOM 826 C ILE A 53 3.107 -2.993 5.299 1.00 0.00 C ATOM 827 O ILE A 53 2.505 -3.722 6.048 1.00 0.00 O ATOM 828 CB ILE A 53 1.837 -1.734 3.494 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.501 -0.983 3.519 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.581 -3.190 3.076 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.703 0.470 3.961 1.00 0.00 C ATOM 0 H ILE A 53 3.741 -0.246 3.823 1.00 0.00 H new ATOM 0 HA ILE A 53 1.816 -1.322 5.633 1.00 0.00 H new ATOM 0 HB ILE A 53 2.511 -1.282 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.046 -1.007 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.190 -1.482 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.090 -3.208 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.530 -3.723 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.941 -3.673 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.258 0.984 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.136 0.489 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.375 0.972 3.265 1.00 0.00 H new ATOM 843 N SER A 54 4.234 -3.356 4.772 1.00 0.00 N ATOM 844 CA SER A 54 4.823 -4.689 5.101 1.00 0.00 C ATOM 845 C SER A 54 5.608 -4.660 6.421 1.00 0.00 C ATOM 846 O SER A 54 5.695 -5.653 7.116 1.00 0.00 O ATOM 847 CB SER A 54 5.761 -5.099 3.970 1.00 0.00 C ATOM 848 OG SER A 54 6.197 -6.436 4.178 1.00 0.00 O ATOM 0 H SER A 54 4.781 -2.789 4.124 1.00 0.00 H new ATOM 0 HA SER A 54 4.008 -5.404 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.249 -5.017 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.618 -4.427 3.932 1.00 0.00 H new ATOM 0 HG SER A 54 6.798 -6.701 3.451 1.00 0.00 H new ATOM 854 N GLN A 55 6.219 -3.555 6.752 1.00 0.00 N ATOM 855 CA GLN A 55 7.043 -3.498 8.004 1.00 0.00 C ATOM 856 C GLN A 55 6.183 -3.187 9.234 1.00 0.00 C ATOM 857 O GLN A 55 6.432 -3.687 10.313 1.00 0.00 O ATOM 858 CB GLN A 55 8.109 -2.405 7.850 1.00 0.00 C ATOM 859 CG GLN A 55 9.108 -2.804 6.756 1.00 0.00 C ATOM 860 CD GLN A 55 9.991 -3.952 7.253 1.00 0.00 C ATOM 861 OE1 GLN A 55 9.631 -5.107 7.133 1.00 0.00 O ATOM 862 NE2 GLN A 55 11.140 -3.682 7.810 1.00 0.00 N ATOM 0 H GLN A 55 6.186 -2.689 6.214 1.00 0.00 H new ATOM 0 HA GLN A 55 7.506 -4.474 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.636 -1.456 7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.631 -2.257 8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.573 -3.108 5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.726 -1.948 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.443 -2.713 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.735 -4.440 8.144 1.00 0.00 H new ATOM 871 N LEU A 56 5.198 -2.346 9.097 1.00 0.00 N ATOM 872 CA LEU A 56 4.351 -1.982 10.279 1.00 0.00 C ATOM 873 C LEU A 56 3.222 -3.002 10.458 1.00 0.00 C ATOM 874 O LEU A 56 2.375 -2.849 11.316 1.00 0.00 O ATOM 875 CB LEU A 56 3.756 -0.579 10.062 1.00 0.00 C ATOM 876 CG LEU A 56 4.820 0.517 10.300 1.00 0.00 C ATOM 877 CD1 LEU A 56 5.180 0.622 11.797 1.00 0.00 C ATOM 878 CD2 LEU A 56 6.090 0.213 9.484 1.00 0.00 C ATOM 0 H LEU A 56 4.938 -1.892 8.221 1.00 0.00 H new ATOM 0 HA LEU A 56 4.968 -1.985 11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.366 -0.498 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.915 -0.428 10.739 1.00 0.00 H new ATOM 0 HG LEU A 56 4.400 1.469 9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.930 1.400 11.937 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.287 0.872 12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.578 -0.332 12.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.831 0.992 9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.497 -0.751 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.842 0.182 8.423 1.00 0.00 H new