USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 25 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Set 1.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 51:sc= 0.397 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 130:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.0029) USER MOD Single : A 28 THR OG1 : rot -57:sc= 0.966 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 41 MET CE :methyl 150:sc= -3.86! (180deg=-6.53!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 135 N THR A 7 -6.154 10.715 4.331 1.00 0.00 N ATOM 136 CA THR A 7 -5.089 10.899 3.295 1.00 0.00 C ATOM 137 C THR A 7 -3.747 11.380 3.930 1.00 0.00 C ATOM 138 O THR A 7 -3.177 12.414 3.564 1.00 0.00 O ATOM 139 CB THR A 7 -5.568 11.723 2.060 1.00 0.00 C ATOM 140 OG1 THR A 7 -5.600 13.119 2.346 1.00 0.00 O ATOM 141 CG2 THR A 7 -6.953 11.346 1.494 1.00 0.00 C ATOM 0 HA THR A 7 -4.871 9.918 2.873 1.00 0.00 H new ATOM 0 HB THR A 7 -4.825 11.472 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.740 13.395 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.182 11.982 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.945 10.303 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.711 11.486 2.264 1.00 0.00 H new ATOM 149 N SER A 8 -3.242 10.577 4.880 1.00 0.00 N ATOM 150 CA SER A 8 -1.963 10.812 5.584 1.00 0.00 C ATOM 151 C SER A 8 -1.464 9.397 5.928 1.00 0.00 C ATOM 152 O SER A 8 -2.105 8.651 6.680 1.00 0.00 O ATOM 153 CB SER A 8 -2.106 11.666 6.862 1.00 0.00 C ATOM 154 OG SER A 8 -2.544 12.985 6.559 1.00 0.00 O ATOM 0 H SER A 8 -3.717 9.729 5.189 1.00 0.00 H new ATOM 0 HA SER A 8 -1.275 11.382 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.816 11.192 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.149 11.709 7.381 1.00 0.00 H new ATOM 0 HG SER A 8 -2.627 13.501 7.388 1.00 0.00 H new ATOM 160 N ILE A 9 -0.302 9.037 5.367 1.00 0.00 N ATOM 161 CA ILE A 9 0.287 7.691 5.511 1.00 0.00 C ATOM 162 C ILE A 9 1.221 7.786 6.761 1.00 0.00 C ATOM 163 O ILE A 9 2.392 8.167 6.650 1.00 0.00 O ATOM 164 CB ILE A 9 1.003 7.246 4.175 1.00 0.00 C ATOM 165 CG1 ILE A 9 0.595 7.893 2.815 1.00 0.00 C ATOM 166 CG2 ILE A 9 0.883 5.709 4.040 1.00 0.00 C ATOM 167 CD1 ILE A 9 1.513 7.626 1.611 1.00 0.00 C ATOM 0 H ILE A 9 0.261 9.670 4.798 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.453 6.907 5.674 1.00 0.00 H new ATOM 0 HB ILE A 9 2.015 7.625 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.406 7.545 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.530 8.972 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.373 5.385 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.361 5.230 4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.170 5.428 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.116 8.132 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.513 8.003 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.562 6.554 1.422 1.00 0.00 H new ATOM 179 N GLU A 10 0.667 7.490 7.956 1.00 0.00 N ATOM 180 CA GLU A 10 1.385 7.649 9.247 1.00 0.00 C ATOM 181 C GLU A 10 1.848 6.238 9.707 1.00 0.00 C ATOM 182 O GLU A 10 2.788 5.706 9.113 1.00 0.00 O ATOM 183 CB GLU A 10 0.465 8.496 10.180 1.00 0.00 C ATOM 184 CG GLU A 10 1.146 9.005 11.469 1.00 0.00 C ATOM 185 CD GLU A 10 0.169 9.730 12.396 1.00 0.00 C ATOM 186 OE1 GLU A 10 0.045 10.954 12.428 1.00 0.00 O ATOM 187 OE2 GLU A 10 -0.545 8.858 13.179 1.00 0.00 O ATOM 0 H GLU A 10 -0.284 7.136 8.057 1.00 0.00 H new ATOM 0 HA GLU A 10 2.316 8.215 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.093 9.353 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.401 7.895 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.589 8.162 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.961 9.679 11.205 1.00 0.00 H new ATOM 195 N THR A 11 1.300 5.687 10.805 1.00 0.00 N ATOM 196 CA THR A 11 1.581 4.297 11.262 1.00 0.00 C ATOM 197 C THR A 11 0.617 3.256 10.645 1.00 0.00 C ATOM 198 O THR A 11 1.007 2.471 9.782 1.00 0.00 O ATOM 199 CB THR A 11 1.744 4.174 12.809 1.00 0.00 C ATOM 200 OG1 THR A 11 0.629 4.735 13.499 1.00 0.00 O ATOM 201 CG2 THR A 11 3.027 4.816 13.347 1.00 0.00 C ATOM 0 H THR A 11 0.647 6.187 11.408 1.00 0.00 H new ATOM 0 HA THR A 11 2.564 4.045 10.865 1.00 0.00 H new ATOM 0 HB THR A 11 1.803 3.102 12.997 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.761 4.640 14.465 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.071 4.691 14.429 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.893 4.336 12.891 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.032 5.879 13.104 1.00 0.00 H new ATOM 209 N ASN A 12 -0.638 3.266 11.117 1.00 0.00 N ATOM 210 CA ASN A 12 -1.662 2.242 10.785 1.00 0.00 C ATOM 211 C ASN A 12 -2.103 2.041 9.304 1.00 0.00 C ATOM 212 O ASN A 12 -2.415 0.891 8.977 1.00 0.00 O ATOM 213 CB ASN A 12 -2.845 2.392 11.776 1.00 0.00 C ATOM 214 CG ASN A 12 -3.678 3.693 11.691 1.00 0.00 C ATOM 215 OD1 ASN A 12 -3.301 4.732 12.232 1.00 0.00 O ATOM 216 ND2 ASN A 12 -4.811 3.667 11.011 1.00 0.00 N ATOM 0 H ASN A 12 -0.983 3.990 11.748 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.145 1.291 10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.519 1.549 11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.450 2.309 12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.378 4.511 10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.118 2.803 10.565 1.00 0.00 H new ATOM 223 N ILE A 13 -2.167 3.069 8.414 1.00 0.00 N ATOM 224 CA ILE A 13 -2.290 2.789 6.945 1.00 0.00 C ATOM 225 C ILE A 13 -0.884 2.306 6.439 1.00 0.00 C ATOM 226 O ILE A 13 -0.851 1.241 5.827 1.00 0.00 O ATOM 227 CB ILE A 13 -3.088 3.735 5.949 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.602 3.809 6.276 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.705 3.310 4.515 1.00 0.00 C ATOM 230 CD1 ILE A 13 -5.429 4.278 5.078 1.00 0.00 C ATOM 0 H ILE A 13 -2.138 4.057 8.665 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.060 2.019 6.897 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.801 4.780 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.952 2.827 6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.759 4.490 7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.233 3.937 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.630 3.425 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.981 2.267 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.483 4.314 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.099 5.272 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.295 3.583 4.249 1.00 0.00 H new ATOM 242 N ARG A 14 0.220 3.044 6.637 1.00 0.00 N ATOM 243 CA ARG A 14 1.571 2.656 6.122 1.00 0.00 C ATOM 244 C ARG A 14 2.070 1.204 6.400 1.00 0.00 C ATOM 245 O ARG A 14 2.818 0.669 5.591 1.00 0.00 O ATOM 246 CB ARG A 14 2.569 3.613 6.850 1.00 0.00 C ATOM 247 CG ARG A 14 3.941 3.902 6.205 1.00 0.00 C ATOM 248 CD ARG A 14 3.980 5.146 5.296 1.00 0.00 C ATOM 249 NE ARG A 14 5.376 5.522 4.964 1.00 0.00 N ATOM 250 CZ ARG A 14 5.727 6.609 4.251 1.00 0.00 C ATOM 251 NH1 ARG A 14 4.859 7.494 3.765 1.00 0.00 N ATOM 252 NH2 ARG A 14 7.011 6.807 4.016 1.00 0.00 N ATOM 0 H ARG A 14 0.217 3.924 7.154 1.00 0.00 H new ATOM 0 HA ARG A 14 1.509 2.721 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.064 4.569 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.753 3.202 7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.680 4.025 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.242 3.033 5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.426 4.947 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.484 5.979 5.794 1.00 0.00 H new ATOM 0 HE ARG A 14 6.123 4.914 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.859 7.369 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.194 8.297 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.702 6.146 4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.312 7.620 3.479 1.00 0.00 H new ATOM 265 N VAL A 15 1.648 0.641 7.541 1.00 0.00 N ATOM 266 CA VAL A 15 1.897 -0.763 7.982 1.00 0.00 C ATOM 267 C VAL A 15 1.092 -1.787 7.117 1.00 0.00 C ATOM 268 O VAL A 15 1.661 -2.735 6.575 1.00 0.00 O ATOM 269 CB VAL A 15 1.678 -0.849 9.536 1.00 0.00 C ATOM 270 CG1 VAL A 15 0.244 -1.103 10.027 1.00 0.00 C ATOM 271 CG2 VAL A 15 2.552 -1.904 10.212 1.00 0.00 C ATOM 0 H VAL A 15 1.098 1.165 8.221 1.00 0.00 H new ATOM 0 HA VAL A 15 2.932 -1.054 7.805 1.00 0.00 H new ATOM 0 HB VAL A 15 1.958 0.165 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.234 -1.140 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.406 -0.298 9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.114 -2.052 9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.351 -1.911 11.283 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.327 -2.885 9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.603 -1.670 10.041 1.00 0.00 H new ATOM 281 N ALA A 16 -0.229 -1.545 7.008 1.00 0.00 N ATOM 282 CA ALA A 16 -1.159 -2.291 6.127 1.00 0.00 C ATOM 283 C ALA A 16 -0.847 -2.149 4.608 1.00 0.00 C ATOM 284 O ALA A 16 -1.044 -3.132 3.895 1.00 0.00 O ATOM 285 CB ALA A 16 -2.598 -1.841 6.440 1.00 0.00 C ATOM 0 H ALA A 16 -0.693 -0.809 7.541 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.031 -3.352 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.295 -2.381 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.826 -2.052 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.692 -0.771 6.258 1.00 0.00 H new ATOM 291 N LEU A 17 -0.371 -0.973 4.124 1.00 0.00 N ATOM 292 CA LEU A 17 0.106 -0.782 2.727 1.00 0.00 C ATOM 293 C LEU A 17 1.470 -1.499 2.476 1.00 0.00 C ATOM 294 O LEU A 17 1.636 -2.136 1.434 1.00 0.00 O ATOM 295 CB LEU A 17 0.039 0.730 2.339 1.00 0.00 C ATOM 296 CG LEU A 17 -1.398 1.261 2.042 1.00 0.00 C ATOM 297 CD1 LEU A 17 -1.671 2.719 1.604 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.325 0.378 1.178 1.00 0.00 C ATOM 0 H LEU A 17 -0.307 -0.128 4.692 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.566 -1.283 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.470 1.319 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.662 0.894 1.460 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.633 1.211 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.741 2.860 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.320 3.403 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.144 2.924 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.288 0.873 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.870 0.221 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.472 -0.584 1.668 1.00 0.00 H new ATOM 310 N GLU A 18 2.417 -1.446 3.433 1.00 0.00 N ATOM 311 CA GLU A 18 3.681 -2.247 3.439 1.00 0.00 C ATOM 312 C GLU A 18 3.424 -3.770 3.301 1.00 0.00 C ATOM 313 O GLU A 18 3.953 -4.397 2.382 1.00 0.00 O ATOM 314 CB GLU A 18 4.524 -1.715 4.646 1.00 0.00 C ATOM 315 CG GLU A 18 5.554 -2.584 5.398 1.00 0.00 C ATOM 316 CD GLU A 18 5.724 -2.200 6.873 1.00 0.00 C ATOM 317 OE1 GLU A 18 6.512 -1.339 7.264 1.00 0.00 O ATOM 318 OE2 GLU A 18 4.892 -2.919 7.694 1.00 0.00 O ATOM 0 H GLU A 18 2.333 -0.835 4.246 1.00 0.00 H new ATOM 0 HA GLU A 18 4.298 -2.107 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.063 -0.839 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.810 -1.365 5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.249 -3.629 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.519 -2.504 4.897 1.00 0.00 H new ATOM 326 N LYS A 19 2.555 -4.345 4.135 1.00 0.00 N ATOM 327 CA LYS A 19 2.183 -5.781 4.053 1.00 0.00 C ATOM 328 C LYS A 19 1.291 -6.219 2.840 1.00 0.00 C ATOM 329 O LYS A 19 1.358 -7.374 2.411 1.00 0.00 O ATOM 330 CB LYS A 19 1.600 -6.046 5.470 1.00 0.00 C ATOM 331 CG LYS A 19 1.262 -7.481 5.898 1.00 0.00 C ATOM 332 CD LYS A 19 0.683 -7.481 7.334 1.00 0.00 C ATOM 333 CE LYS A 19 0.362 -8.900 7.835 1.00 0.00 C ATOM 334 NZ LYS A 19 -0.199 -8.881 9.197 1.00 0.00 N ATOM 0 H LYS A 19 2.085 -3.841 4.887 1.00 0.00 H new ATOM 0 HA LYS A 19 3.036 -6.417 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.312 -5.649 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.689 -5.455 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.541 -7.916 5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.157 -8.102 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.397 -7.012 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.223 -6.876 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.346 -9.375 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.269 -9.504 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.403 -9.854 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.487 -8.451 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.078 -8.325 9.203 1.00 0.00 H new ATOM 347 N SER A 20 0.508 -5.286 2.275 1.00 0.00 N ATOM 348 CA SER A 20 -0.182 -5.403 0.951 1.00 0.00 C ATOM 349 C SER A 20 0.761 -5.762 -0.240 1.00 0.00 C ATOM 350 O SER A 20 0.431 -6.604 -1.080 1.00 0.00 O ATOM 351 CB SER A 20 -0.842 -4.026 0.726 1.00 0.00 C ATOM 352 OG SER A 20 -2.229 -4.142 0.446 1.00 0.00 O ATOM 0 H SER A 20 0.322 -4.393 2.732 1.00 0.00 H new ATOM 0 HA SER A 20 -0.893 -6.229 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.701 -3.407 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.346 -3.517 -0.100 1.00 0.00 H new ATOM 0 HG SER A 20 -2.732 -3.535 1.028 1.00 0.00 H new ATOM 358 N PHE A 21 1.930 -5.102 -0.265 1.00 0.00 N ATOM 359 CA PHE A 21 3.031 -5.346 -1.219 1.00 0.00 C ATOM 360 C PHE A 21 3.650 -6.781 -1.156 1.00 0.00 C ATOM 361 O PHE A 21 3.937 -7.404 -2.178 1.00 0.00 O ATOM 362 CB PHE A 21 4.070 -4.226 -0.924 1.00 0.00 C ATOM 363 CG PHE A 21 5.053 -4.056 -2.101 1.00 0.00 C ATOM 364 CD1 PHE A 21 6.197 -4.846 -2.208 1.00 0.00 C ATOM 365 CD2 PHE A 21 4.757 -3.115 -3.095 1.00 0.00 C ATOM 366 CE1 PHE A 21 7.062 -4.669 -3.271 1.00 0.00 C ATOM 367 CE2 PHE A 21 5.612 -2.963 -4.180 1.00 0.00 C ATOM 368 CZ PHE A 21 6.758 -3.744 -4.260 1.00 0.00 C ATOM 0 H PHE A 21 2.145 -4.358 0.399 1.00 0.00 H new ATOM 0 HA PHE A 21 2.659 -5.308 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.552 -3.285 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.623 -4.469 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.407 -5.596 -1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.866 -2.509 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.971 -5.248 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.387 -2.244 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.422 -3.630 -5.104 1.00 0.00 H new ATOM 378 N LEU A 22 3.848 -7.264 0.072 1.00 0.00 N ATOM 379 CA LEU A 22 4.350 -8.628 0.394 1.00 0.00 C ATOM 380 C LEU A 22 3.432 -9.823 -0.042 1.00 0.00 C ATOM 381 O LEU A 22 3.929 -10.943 -0.190 1.00 0.00 O ATOM 382 CB LEU A 22 4.728 -8.659 1.887 1.00 0.00 C ATOM 383 CG LEU A 22 5.772 -7.581 2.304 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.989 -7.636 3.798 1.00 0.00 C ATOM 385 CD2 LEU A 22 7.127 -7.666 1.580 1.00 0.00 C ATOM 0 H LEU A 22 3.661 -6.709 0.907 1.00 0.00 H new ATOM 0 HA LEU A 22 5.231 -8.803 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.825 -8.523 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.124 -9.645 2.130 1.00 0.00 H new ATOM 0 HG LEU A 22 5.341 -6.627 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.720 -6.881 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.046 -7.444 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.358 -8.623 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.783 -6.873 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.586 -8.635 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.974 -7.550 0.507 1.00 0.00 H new ATOM 397 N GLU A 23 2.125 -9.572 -0.286 1.00 0.00 N ATOM 398 CA GLU A 23 1.167 -10.553 -0.859 1.00 0.00 C ATOM 399 C GLU A 23 1.315 -10.469 -2.412 1.00 0.00 C ATOM 400 O GLU A 23 1.797 -11.427 -3.023 1.00 0.00 O ATOM 401 CB GLU A 23 -0.250 -10.241 -0.291 1.00 0.00 C ATOM 402 CG GLU A 23 -1.329 -11.329 -0.486 1.00 0.00 C ATOM 403 CD GLU A 23 -1.868 -11.473 -1.914 1.00 0.00 C ATOM 404 OE1 GLU A 23 -1.655 -12.457 -2.621 1.00 0.00 O ATOM 405 OE2 GLU A 23 -2.606 -10.384 -2.304 1.00 0.00 O ATOM 0 H GLU A 23 1.697 -8.668 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 23 1.360 -11.590 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.153 -10.045 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.607 -9.321 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.915 -12.288 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.165 -11.111 0.179 1.00 0.00 H new ATOM 413 N ASN A 24 0.931 -9.328 -3.018 1.00 0.00 N ATOM 414 CA ASN A 24 1.193 -9.026 -4.452 1.00 0.00 C ATOM 415 C ASN A 24 1.900 -7.642 -4.492 1.00 0.00 C ATOM 416 O ASN A 24 1.465 -6.657 -3.884 1.00 0.00 O ATOM 417 CB ASN A 24 -0.042 -8.970 -5.376 1.00 0.00 C ATOM 418 CG ASN A 24 -0.977 -10.175 -5.431 1.00 0.00 C ATOM 419 OD1 ASN A 24 -0.607 -11.326 -5.198 1.00 0.00 O ATOM 420 ND2 ASN A 24 -2.207 -9.914 -5.825 1.00 0.00 N ATOM 0 H ASN A 24 0.429 -8.585 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 24 1.789 -9.853 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.636 -8.105 -5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.313 -8.782 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.877 -10.674 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.489 -8.952 -6.012 1.00 0.00 H new ATOM 427 N GLN A 25 2.992 -7.607 -5.255 1.00 0.00 N ATOM 428 CA GLN A 25 3.851 -6.393 -5.442 1.00 0.00 C ATOM 429 C GLN A 25 3.212 -5.374 -6.439 1.00 0.00 C ATOM 430 O GLN A 25 3.054 -4.196 -6.105 1.00 0.00 O ATOM 431 CB GLN A 25 5.298 -6.797 -5.833 1.00 0.00 C ATOM 432 CG GLN A 25 6.032 -7.783 -4.885 1.00 0.00 C ATOM 433 CD GLN A 25 7.363 -8.353 -5.410 1.00 0.00 C ATOM 434 OE1 GLN A 25 7.865 -8.019 -6.484 1.00 0.00 O ATOM 435 NE2 GLN A 25 7.958 -9.257 -4.648 1.00 0.00 N ATOM 0 H GLN A 25 3.326 -8.419 -5.775 1.00 0.00 H new ATOM 0 HA GLN A 25 3.913 -5.871 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.269 -7.241 -6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.896 -5.889 -5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.224 -7.274 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.362 -8.615 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.539 -9.531 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.836 -9.680 -4.949 1.00 0.00 H new ATOM 444 N LYS A 26 2.840 -5.857 -7.642 1.00 0.00 N ATOM 445 CA LYS A 26 2.032 -5.116 -8.643 1.00 0.00 C ATOM 446 C LYS A 26 0.647 -5.822 -8.681 1.00 0.00 C ATOM 447 O LYS A 26 0.409 -6.614 -9.598 1.00 0.00 O ATOM 448 CB LYS A 26 2.793 -4.909 -9.987 1.00 0.00 C ATOM 449 CG LYS A 26 3.218 -6.108 -10.878 1.00 0.00 C ATOM 450 CD LYS A 26 4.283 -7.091 -10.343 1.00 0.00 C ATOM 451 CE LYS A 26 5.662 -6.464 -10.056 1.00 0.00 C ATOM 452 NZ LYS A 26 6.647 -7.488 -9.667 1.00 0.00 N ATOM 0 H LYS A 26 3.097 -6.793 -7.955 1.00 0.00 H new ATOM 0 HA LYS A 26 1.852 -4.075 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.171 -4.261 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.700 -4.352 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.321 -6.684 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.585 -5.704 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.909 -7.545 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.410 -7.895 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.015 -5.936 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.569 -5.725 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.564 -7.034 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.321 -7.975 -8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.753 -8.179 -10.437 1.00 0.00 H new ATOM 465 N PRO A 27 -0.301 -5.582 -7.712 1.00 0.00 N ATOM 466 CA PRO A 27 -1.679 -6.134 -7.781 1.00 0.00 C ATOM 467 C PRO A 27 -2.471 -5.673 -9.043 1.00 0.00 C ATOM 468 O PRO A 27 -3.134 -6.501 -9.669 1.00 0.00 O ATOM 469 CB PRO A 27 -2.275 -5.748 -6.414 1.00 0.00 C ATOM 470 CG PRO A 27 -1.490 -4.542 -5.928 1.00 0.00 C ATOM 471 CD PRO A 27 -0.110 -4.693 -6.545 1.00 0.00 C ATOM 0 HA PRO A 27 -1.717 -7.213 -7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.335 -5.510 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.194 -6.574 -5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.963 -3.611 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.435 -4.520 -4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.294 -3.727 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.594 -5.124 -5.833 1.00 0.00 H new ATOM 479 N THR A 28 -2.358 -4.372 -9.383 1.00 0.00 N ATOM 480 CA THR A 28 -2.844 -3.706 -10.596 1.00 0.00 C ATOM 481 C THR A 28 -3.498 -2.329 -10.345 1.00 0.00 C ATOM 482 O THR A 28 -4.011 -2.072 -9.260 1.00 0.00 O ATOM 483 CB THR A 28 -3.123 -4.467 -11.931 1.00 0.00 C ATOM 484 OG1 THR A 28 -4.288 -5.275 -11.821 1.00 0.00 O ATOM 485 CG2 THR A 28 -1.916 -5.303 -12.415 1.00 0.00 C ATOM 0 H THR A 28 -1.886 -3.713 -8.763 1.00 0.00 H new ATOM 0 HA THR A 28 -1.881 -3.528 -11.075 1.00 0.00 H new ATOM 0 HB THR A 28 -3.295 -3.704 -12.690 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.181 -5.903 -11.076 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.173 -5.807 -13.347 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.062 -4.646 -12.581 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.661 -6.045 -11.659 1.00 0.00 H new ATOM 493 N SER A 29 -3.402 -1.394 -11.316 1.00 0.00 N ATOM 494 CA SER A 29 -4.043 -0.040 -11.239 1.00 0.00 C ATOM 495 C SER A 29 -5.538 0.022 -10.773 1.00 0.00 C ATOM 496 O SER A 29 -5.960 0.963 -10.096 1.00 0.00 O ATOM 497 CB SER A 29 -3.925 0.594 -12.641 1.00 0.00 C ATOM 498 OG SER A 29 -2.614 1.099 -12.869 1.00 0.00 O ATOM 0 H SER A 29 -2.881 -1.546 -12.179 1.00 0.00 H new ATOM 0 HA SER A 29 -3.510 0.496 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.169 -0.149 -13.401 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.651 1.401 -12.740 1.00 0.00 H new ATOM 0 HG SER A 29 -2.567 1.493 -13.765 1.00 0.00 H new ATOM 504 N GLU A 30 -6.293 -0.996 -11.196 1.00 0.00 N ATOM 505 CA GLU A 30 -7.709 -1.224 -10.752 1.00 0.00 C ATOM 506 C GLU A 30 -7.757 -1.929 -9.365 1.00 0.00 C ATOM 507 O GLU A 30 -8.542 -1.549 -8.495 1.00 0.00 O ATOM 508 CB GLU A 30 -8.523 -2.004 -11.819 1.00 0.00 C ATOM 509 CG GLU A 30 -8.829 -1.208 -13.106 1.00 0.00 C ATOM 510 CD GLU A 30 -9.682 -2.002 -14.099 1.00 0.00 C ATOM 511 OE1 GLU A 30 -10.912 -1.963 -14.116 1.00 0.00 O ATOM 512 OE2 GLU A 30 -8.919 -2.754 -14.955 1.00 0.00 O ATOM 0 H GLU A 30 -5.958 -1.697 -11.857 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.180 -0.248 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.973 -2.906 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.465 -2.326 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.347 -0.285 -12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.892 -0.923 -13.584 1.00 0.00 H new ATOM 520 N GLU A 31 -6.907 -2.954 -9.186 1.00 0.00 N ATOM 521 CA GLU A 31 -6.644 -3.638 -7.898 1.00 0.00 C ATOM 522 C GLU A 31 -6.169 -2.717 -6.705 1.00 0.00 C ATOM 523 O GLU A 31 -6.356 -3.099 -5.548 1.00 0.00 O ATOM 524 CB GLU A 31 -5.631 -4.751 -8.298 1.00 0.00 C ATOM 525 CG GLU A 31 -5.686 -5.995 -7.377 1.00 0.00 C ATOM 526 CD GLU A 31 -6.951 -6.850 -7.530 1.00 0.00 C ATOM 527 OE1 GLU A 31 -7.149 -7.599 -8.486 1.00 0.00 O ATOM 528 OE2 GLU A 31 -7.822 -6.683 -6.485 1.00 0.00 O ATOM 0 H GLU A 31 -6.364 -3.346 -9.955 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.561 -4.029 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.829 -5.060 -9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.623 -4.338 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.815 -6.619 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.609 -5.667 -6.340 1.00 0.00 H new ATOM 536 N ILE A 32 -5.605 -1.510 -6.977 1.00 0.00 N ATOM 537 CA ILE A 32 -5.362 -0.415 -5.980 1.00 0.00 C ATOM 538 C ILE A 32 -6.712 -0.011 -5.284 1.00 0.00 C ATOM 539 O ILE A 32 -6.774 0.050 -4.055 1.00 0.00 O ATOM 540 CB ILE A 32 -4.593 0.779 -6.697 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.058 0.748 -6.465 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.074 2.224 -6.390 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.269 -0.220 -7.345 1.00 0.00 C ATOM 0 H ILE A 32 -5.297 -1.259 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.714 -0.750 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.848 0.571 -7.736 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.666 1.753 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.873 0.493 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.463 2.936 -6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.117 2.331 -6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.980 2.420 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.210 -0.157 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.622 -1.237 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.412 0.042 -8.393 1.00 0.00 H new ATOM 555 N THR A 33 -7.764 0.242 -6.095 1.00 0.00 N ATOM 556 CA THR A 33 -9.149 0.529 -5.627 1.00 0.00 C ATOM 557 C THR A 33 -9.773 -0.544 -4.670 1.00 0.00 C ATOM 558 O THR A 33 -10.417 -0.177 -3.685 1.00 0.00 O ATOM 559 CB THR A 33 -10.028 0.976 -6.855 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.620 2.236 -6.564 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.175 0.050 -7.302 1.00 0.00 C ATOM 0 H THR A 33 -7.678 0.254 -7.111 1.00 0.00 H new ATOM 0 HA THR A 33 -9.111 1.374 -4.939 1.00 0.00 H new ATOM 0 HB THR A 33 -9.313 0.975 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.168 2.523 -7.324 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.687 0.492 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.769 -0.921 -7.585 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.881 -0.077 -6.481 1.00 0.00 H new ATOM 569 N MET A 34 -9.566 -1.842 -4.963 1.00 0.00 N ATOM 570 CA MET A 34 -9.994 -2.980 -4.109 1.00 0.00 C ATOM 571 C MET A 34 -9.295 -3.035 -2.709 1.00 0.00 C ATOM 572 O MET A 34 -9.971 -3.298 -1.710 1.00 0.00 O ATOM 573 CB MET A 34 -9.736 -4.265 -4.947 1.00 0.00 C ATOM 574 CG MET A 34 -10.683 -4.495 -6.139 1.00 0.00 C ATOM 575 SD MET A 34 -12.388 -4.637 -5.563 1.00 0.00 S ATOM 576 CE MET A 34 -13.264 -4.707 -7.137 1.00 0.00 C ATOM 0 H MET A 34 -9.089 -2.140 -5.814 1.00 0.00 H new ATOM 0 HA MET A 34 -11.047 -2.869 -3.852 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.713 -4.231 -5.322 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.803 -5.127 -4.283 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.598 -3.669 -6.845 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.395 -5.401 -6.672 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.335 -4.796 -6.954 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.067 -3.797 -7.704 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.920 -5.571 -7.707 1.00 0.00 H new ATOM 586 N ILE A 35 -7.972 -2.766 -2.636 1.00 0.00 N ATOM 587 CA ILE A 35 -7.200 -2.650 -1.356 1.00 0.00 C ATOM 588 C ILE A 35 -7.704 -1.438 -0.520 1.00 0.00 C ATOM 589 O ILE A 35 -8.029 -1.619 0.653 1.00 0.00 O ATOM 590 CB ILE A 35 -5.649 -2.560 -1.638 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.102 -3.780 -2.427 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.794 -2.344 -0.358 1.00 0.00 C ATOM 593 CD1 ILE A 35 -3.765 -3.581 -3.131 1.00 0.00 C ATOM 0 H ILE A 35 -7.396 -2.620 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.371 -3.551 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.548 -1.672 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.005 -4.618 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.843 -4.066 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.740 -2.292 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.091 -1.413 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.951 -3.175 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.486 -4.499 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.852 -2.770 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.000 -3.331 -2.396 1.00 0.00 H new ATOM 605 N ALA A 36 -7.755 -0.238 -1.127 1.00 0.00 N ATOM 606 CA ALA A 36 -8.316 0.985 -0.492 1.00 0.00 C ATOM 607 C ALA A 36 -9.771 0.912 0.057 1.00 0.00 C ATOM 608 O ALA A 36 -10.095 1.642 0.997 1.00 0.00 O ATOM 609 CB ALA A 36 -8.224 2.086 -1.534 1.00 0.00 C ATOM 0 H ALA A 36 -7.409 -0.081 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.727 1.156 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.624 3.012 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.181 2.234 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.801 1.803 -2.415 1.00 0.00 H new ATOM 615 N ASP A 37 -10.629 0.049 -0.527 1.00 0.00 N ATOM 616 CA ASP A 37 -12.002 -0.215 -0.027 1.00 0.00 C ATOM 617 C ASP A 37 -11.983 -1.033 1.302 1.00 0.00 C ATOM 618 O ASP A 37 -12.652 -0.635 2.258 1.00 0.00 O ATOM 619 CB ASP A 37 -12.799 -0.946 -1.142 1.00 0.00 C ATOM 620 CG ASP A 37 -14.318 -0.795 -1.002 1.00 0.00 C ATOM 621 OD1 ASP A 37 -14.963 0.088 -1.566 1.00 0.00 O ATOM 622 OD2 ASP A 37 -14.864 -1.748 -0.181 1.00 0.00 O ATOM 0 H ASP A 37 -10.392 -0.488 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.492 0.730 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.491 -0.558 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.543 -2.006 -1.126 1.00 0.00 H new ATOM 628 N GLN A 38 -11.215 -2.149 1.354 1.00 0.00 N ATOM 629 CA GLN A 38 -10.927 -2.879 2.635 1.00 0.00 C ATOM 630 C GLN A 38 -10.224 -1.977 3.728 1.00 0.00 C ATOM 631 O GLN A 38 -10.514 -2.089 4.921 1.00 0.00 O ATOM 632 CB GLN A 38 -10.104 -4.146 2.276 1.00 0.00 C ATOM 633 CG GLN A 38 -9.959 -5.167 3.427 1.00 0.00 C ATOM 634 CD GLN A 38 -9.115 -6.390 3.036 1.00 0.00 C ATOM 635 OE1 GLN A 38 -7.888 -6.377 3.140 1.00 0.00 O ATOM 636 NE2 GLN A 38 -9.743 -7.464 2.581 1.00 0.00 N ATOM 0 H GLN A 38 -10.781 -2.570 0.533 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.866 -3.167 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.575 -4.641 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.109 -3.838 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.502 -4.676 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.949 -5.499 3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.760 -7.464 2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.210 -8.291 2.313 1.00 0.00 H new ATOM 645 N LEU A 39 -9.343 -1.067 3.269 1.00 0.00 N ATOM 646 CA LEU A 39 -8.674 -0.002 4.056 1.00 0.00 C ATOM 647 C LEU A 39 -9.645 1.241 4.068 1.00 0.00 C ATOM 648 O LEU A 39 -10.863 1.135 3.869 1.00 0.00 O ATOM 649 CB LEU A 39 -7.332 0.170 3.255 1.00 0.00 C ATOM 650 CG LEU A 39 -6.218 1.169 3.653 1.00 0.00 C ATOM 651 CD1 LEU A 39 -5.286 0.695 4.770 1.00 0.00 C ATOM 652 CD2 LEU A 39 -5.274 1.460 2.487 1.00 0.00 C ATOM 0 H LEU A 39 -9.061 -1.050 2.289 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.457 -0.185 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.865 -0.814 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.615 0.419 2.232 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.793 2.035 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.542 1.465 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.867 0.504 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.784 -0.222 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.507 2.165 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.802 0.533 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.839 1.890 1.660 1.00 0.00 H new ATOM 664 N ASN A 40 -9.108 2.432 4.342 1.00 0.00 N ATOM 665 CA ASN A 40 -9.884 3.710 4.351 1.00 0.00 C ATOM 666 C ASN A 40 -8.895 4.832 3.915 1.00 0.00 C ATOM 667 O ASN A 40 -8.465 5.661 4.723 1.00 0.00 O ATOM 668 CB ASN A 40 -10.514 3.857 5.764 1.00 0.00 C ATOM 669 CG ASN A 40 -11.570 4.928 5.952 1.00 0.00 C ATOM 670 OD1 ASN A 40 -12.409 5.210 5.097 1.00 0.00 O ATOM 671 ND2 ASN A 40 -11.628 5.404 7.177 1.00 0.00 N ATOM 0 H ASN A 40 -8.121 2.556 4.567 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.721 3.755 3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.955 2.898 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.709 4.051 6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.387 6.030 7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.914 5.147 7.858 1.00 0.00 H new ATOM 678 N MET A 41 -8.545 4.826 2.612 1.00 0.00 N ATOM 679 CA MET A 41 -7.425 5.655 2.059 1.00 0.00 C ATOM 680 C MET A 41 -7.779 6.351 0.701 1.00 0.00 C ATOM 681 O MET A 41 -8.660 5.846 -0.007 1.00 0.00 O ATOM 682 CB MET A 41 -6.347 4.609 1.697 1.00 0.00 C ATOM 683 CG MET A 41 -4.932 5.119 1.378 1.00 0.00 C ATOM 684 SD MET A 41 -4.549 6.700 2.166 1.00 0.00 S ATOM 685 CE MET A 41 -3.078 6.242 3.099 1.00 0.00 C ATOM 0 H MET A 41 -9.018 4.257 1.910 1.00 0.00 H new ATOM 0 HA MET A 41 -7.154 6.427 2.779 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.271 3.906 2.526 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.703 4.046 0.834 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.204 4.375 1.700 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.826 5.224 0.298 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.425 7.109 3.198 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.370 5.892 4.089 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.548 5.447 2.575 1.00 0.00 H new ATOM 695 N GLU A 42 -7.079 7.445 0.279 1.00 0.00 N ATOM 696 CA GLU A 42 -7.154 7.900 -1.152 1.00 0.00 C ATOM 697 C GLU A 42 -6.249 7.004 -2.040 1.00 0.00 C ATOM 698 O GLU A 42 -5.212 6.495 -1.616 1.00 0.00 O ATOM 699 CB GLU A 42 -7.048 9.400 -1.520 1.00 0.00 C ATOM 700 CG GLU A 42 -5.657 10.060 -1.489 1.00 0.00 C ATOM 701 CD GLU A 42 -5.625 11.501 -2.009 1.00 0.00 C ATOM 702 OE1 GLU A 42 -5.382 12.475 -1.298 1.00 0.00 O ATOM 703 OE2 GLU A 42 -5.871 11.572 -3.358 1.00 0.00 O ATOM 0 H GLU A 42 -6.478 8.011 0.878 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.214 7.765 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.454 9.526 -2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.696 9.956 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.286 10.049 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.970 9.458 -2.083 1.00 0.00 H new ATOM 711 N LYS A 43 -6.691 6.800 -3.277 1.00 0.00 N ATOM 712 CA LYS A 43 -6.000 5.892 -4.247 1.00 0.00 C ATOM 713 C LYS A 43 -4.790 6.367 -5.071 1.00 0.00 C ATOM 714 O LYS A 43 -3.924 5.564 -5.434 1.00 0.00 O ATOM 715 CB LYS A 43 -7.045 5.113 -5.028 1.00 0.00 C ATOM 716 CG LYS A 43 -7.653 3.997 -4.124 1.00 0.00 C ATOM 717 CD LYS A 43 -9.203 4.042 -4.196 1.00 0.00 C ATOM 718 CE LYS A 43 -9.845 5.168 -3.360 1.00 0.00 C ATOM 719 NZ LYS A 43 -11.316 5.126 -3.423 1.00 0.00 N ATOM 0 H LYS A 43 -7.528 7.245 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.413 5.242 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.832 5.785 -5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.594 4.670 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.294 3.020 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.324 4.133 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.503 4.162 -5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.599 3.084 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.523 5.079 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.493 6.134 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.710 5.898 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.624 5.236 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.653 4.214 -3.055 1.00 0.00 H new ATOM 732 N GLU A 44 -4.750 7.668 -5.345 1.00 0.00 N ATOM 733 CA GLU A 44 -3.529 8.364 -5.877 1.00 0.00 C ATOM 734 C GLU A 44 -2.283 8.103 -4.951 1.00 0.00 C ATOM 735 O GLU A 44 -1.213 7.733 -5.430 1.00 0.00 O ATOM 736 CB GLU A 44 -3.772 9.889 -6.038 1.00 0.00 C ATOM 737 CG GLU A 44 -4.875 10.285 -7.041 1.00 0.00 C ATOM 738 CD GLU A 44 -5.046 11.802 -7.154 1.00 0.00 C ATOM 739 OE1 GLU A 44 -5.830 12.448 -6.460 1.00 0.00 O ATOM 740 OE2 GLU A 44 -4.224 12.347 -8.107 1.00 0.00 O ATOM 0 H GLU A 44 -5.548 8.289 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.320 7.949 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.027 10.303 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.838 10.357 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.634 9.876 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.820 9.838 -6.732 1.00 0.00 H new ATOM 748 N VAL A 45 -2.516 8.224 -3.628 1.00 0.00 N ATOM 749 CA VAL A 45 -1.609 7.831 -2.517 1.00 0.00 C ATOM 750 C VAL A 45 -1.119 6.351 -2.594 1.00 0.00 C ATOM 751 O VAL A 45 0.087 6.136 -2.541 1.00 0.00 O ATOM 752 CB VAL A 45 -2.419 8.177 -1.213 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.170 7.373 0.061 1.00 0.00 C ATOM 754 CG2 VAL A 45 -2.305 9.649 -0.847 1.00 0.00 C ATOM 0 H VAL A 45 -3.390 8.620 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.664 8.372 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.417 7.884 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.813 7.746 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.393 6.322 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.126 7.476 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.879 9.844 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.259 9.901 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.696 10.258 -1.662 1.00 0.00 H new ATOM 764 N ILE A 46 -2.032 5.369 -2.708 1.00 0.00 N ATOM 765 CA ILE A 46 -1.687 3.901 -2.824 1.00 0.00 C ATOM 766 C ILE A 46 -0.701 3.582 -3.988 1.00 0.00 C ATOM 767 O ILE A 46 0.284 2.886 -3.767 1.00 0.00 O ATOM 768 CB ILE A 46 -2.877 2.880 -3.021 1.00 0.00 C ATOM 769 CG1 ILE A 46 -4.233 3.251 -2.402 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.462 1.422 -2.687 1.00 0.00 C ATOM 771 CD1 ILE A 46 -4.538 2.780 -1.014 1.00 0.00 C ATOM 0 H ILE A 46 -3.036 5.549 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.253 3.752 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.075 2.954 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.314 4.338 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.013 2.869 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.313 0.758 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.644 1.118 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.137 1.365 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.531 3.124 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.508 1.691 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.798 3.182 -0.322 1.00 0.00 H new ATOM 783 N ARG A 47 -1.035 4.037 -5.207 1.00 0.00 N ATOM 784 CA ARG A 47 -0.213 3.798 -6.432 1.00 0.00 C ATOM 785 C ARG A 47 1.212 4.435 -6.333 1.00 0.00 C ATOM 786 O ARG A 47 2.195 3.771 -6.665 1.00 0.00 O ATOM 787 CB ARG A 47 -1.007 4.253 -7.688 1.00 0.00 C ATOM 788 CG ARG A 47 -0.398 3.917 -9.075 1.00 0.00 C ATOM 789 CD ARG A 47 -0.395 2.434 -9.512 1.00 0.00 C ATOM 790 NE ARG A 47 0.681 1.633 -8.873 1.00 0.00 N ATOM 791 CZ ARG A 47 0.928 0.333 -9.128 1.00 0.00 C ATOM 792 NH1 ARG A 47 0.245 -0.395 -10.011 1.00 0.00 N ATOM 793 NH2 ARG A 47 1.901 -0.257 -8.460 1.00 0.00 N ATOM 0 H ARG A 47 -1.879 4.582 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.027 2.728 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.000 3.807 -7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.139 5.333 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.940 4.489 -9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.632 4.273 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.361 1.990 -9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.282 2.382 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 47 1.277 2.102 -8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.516 0.029 -10.541 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.484 -1.376 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.441 0.270 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.113 -1.240 -8.630 1.00 0.00 H new ATOM 806 N VAL A 48 1.301 5.695 -5.856 1.00 0.00 N ATOM 807 CA VAL A 48 2.576 6.402 -5.536 1.00 0.00 C ATOM 808 C VAL A 48 3.373 5.687 -4.386 1.00 0.00 C ATOM 809 O VAL A 48 4.570 5.444 -4.555 1.00 0.00 O ATOM 810 CB VAL A 48 2.230 7.928 -5.338 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.857 8.637 -4.126 1.00 0.00 C ATOM 812 CG2 VAL A 48 2.500 8.738 -6.621 1.00 0.00 C ATOM 0 H VAL A 48 0.476 6.267 -5.676 1.00 0.00 H new ATOM 0 HA VAL A 48 3.296 6.353 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 48 1.164 7.903 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.538 9.679 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.535 8.144 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.944 8.592 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.251 9.785 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.553 8.655 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.887 8.348 -7.433 1.00 0.00 H new ATOM 822 N TRP A 49 2.722 5.355 -3.245 1.00 0.00 N ATOM 823 CA TRP A 49 3.332 4.557 -2.143 1.00 0.00 C ATOM 824 C TRP A 49 3.845 3.155 -2.607 1.00 0.00 C ATOM 825 O TRP A 49 4.951 2.772 -2.228 1.00 0.00 O ATOM 826 CB TRP A 49 2.315 4.420 -0.969 1.00 0.00 C ATOM 827 CG TRP A 49 2.965 3.965 0.345 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.782 4.763 1.172 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.199 2.663 0.743 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.531 3.985 2.069 1.00 0.00 N ATOM 831 CE2 TRP A 49 4.183 2.685 1.763 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.800 1.434 0.162 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.824 1.487 2.148 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.493 0.277 0.513 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.531 0.324 1.448 1.00 0.00 C ATOM 0 H TRP A 49 1.758 5.631 -3.058 1.00 0.00 H new ATOM 0 HA TRP A 49 4.215 5.098 -1.802 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.822 5.379 -0.810 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.540 3.706 -1.250 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.826 5.841 1.122 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.184 4.307 2.784 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.978 1.395 -0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.526 1.476 2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.225 -0.665 0.058 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.118 -0.564 1.630 1.00 0.00 H new ATOM 846 N PHE A 50 3.042 2.405 -3.395 1.00 0.00 N ATOM 847 CA PHE A 50 3.437 1.118 -4.012 1.00 0.00 C ATOM 848 C PHE A 50 4.667 1.250 -4.978 1.00 0.00 C ATOM 849 O PHE A 50 5.543 0.385 -4.934 1.00 0.00 O ATOM 850 CB PHE A 50 2.167 0.467 -4.661 1.00 0.00 C ATOM 851 CG PHE A 50 1.190 -0.409 -3.813 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.499 -0.831 -2.519 1.00 0.00 C ATOM 853 CD2 PHE A 50 0.048 -0.930 -4.424 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.798 -1.864 -1.918 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.701 -1.923 -3.796 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.289 -2.439 -2.566 1.00 0.00 C ATOM 0 H PHE A 50 2.087 2.681 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 50 3.806 0.441 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.578 1.277 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.513 -0.151 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.297 -0.345 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.258 -0.560 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.097 -2.223 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.602 -2.294 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.809 -3.275 -2.123 1.00 0.00 H new ATOM 866 N CYS A 51 4.754 2.331 -5.789 1.00 0.00 N ATOM 867 CA CYS A 51 5.956 2.685 -6.606 1.00 0.00 C ATOM 868 C CYS A 51 7.274 2.943 -5.800 1.00 0.00 C ATOM 869 O CYS A 51 8.361 2.581 -6.255 1.00 0.00 O ATOM 870 CB CYS A 51 5.630 3.953 -7.431 1.00 0.00 C ATOM 871 SG CYS A 51 6.574 3.942 -8.992 1.00 0.00 S ATOM 0 H CYS A 51 3.987 2.994 -5.901 1.00 0.00 H new ATOM 0 HA CYS A 51 6.158 1.810 -7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.562 3.994 -7.643 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.875 4.845 -6.854 1.00 0.00 H new ATOM 0 HG CYS A 51 6.291 5.010 -9.678 1.00 0.00 H new ATOM 877 N ASN A 52 7.145 3.541 -4.600 1.00 0.00 N ATOM 878 CA ASN A 52 8.276 3.815 -3.665 1.00 0.00 C ATOM 879 C ASN A 52 8.664 2.553 -2.826 1.00 0.00 C ATOM 880 O ASN A 52 9.861 2.339 -2.612 1.00 0.00 O ATOM 881 CB ASN A 52 7.869 5.044 -2.800 1.00 0.00 C ATOM 882 CG ASN A 52 8.982 5.703 -1.956 1.00 0.00 C ATOM 883 OD1 ASN A 52 10.113 5.229 -1.837 1.00 0.00 O ATOM 884 ND2 ASN A 52 8.665 6.836 -1.350 1.00 0.00 N ATOM 0 H ASN A 52 6.244 3.855 -4.239 1.00 0.00 H new ATOM 0 HA ASN A 52 9.187 4.052 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.452 5.802 -3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.070 4.735 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.359 7.321 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.727 7.224 -1.452 1.00 0.00 H new ATOM 891 N ARG A 53 7.703 1.700 -2.402 1.00 0.00 N ATOM 892 CA ARG A 53 7.985 0.359 -1.816 1.00 0.00 C ATOM 893 C ARG A 53 8.727 -0.698 -2.715 1.00 0.00 C ATOM 894 O ARG A 53 9.097 -1.778 -2.249 1.00 0.00 O ATOM 895 CB ARG A 53 6.589 -0.191 -1.412 1.00 0.00 C ATOM 896 CG ARG A 53 6.591 -1.465 -0.545 1.00 0.00 C ATOM 897 CD ARG A 53 7.487 -1.345 0.702 1.00 0.00 C ATOM 898 NE ARG A 53 7.185 -2.194 1.888 1.00 0.00 N ATOM 899 CZ ARG A 53 7.053 -3.538 1.877 1.00 0.00 C ATOM 900 NH1 ARG A 53 7.097 -4.281 0.791 1.00 0.00 N ATOM 901 NH2 ARG A 53 6.828 -4.168 3.002 1.00 0.00 N ATOM 0 H ARG A 53 6.708 1.918 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 53 8.696 0.504 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.054 0.591 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.024 -0.395 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.571 -1.686 -0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.929 -2.308 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.510 -1.560 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.463 -0.305 1.026 1.00 0.00 H new ATOM 0 HE ARG A 53 7.068 -1.720 2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.239 -3.845 -0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.989 -5.293 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.754 -3.644 3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.726 -5.183 3.007 1.00 0.00 H new ATOM 914 N ARG A 54 8.941 -0.362 -3.989 1.00 0.00 N ATOM 915 CA ARG A 54 9.627 -1.215 -5.001 1.00 0.00 C ATOM 916 C ARG A 54 11.104 -1.672 -4.732 1.00 0.00 C ATOM 917 O ARG A 54 11.604 -2.533 -5.464 1.00 0.00 O ATOM 918 CB ARG A 54 9.486 -0.599 -6.420 1.00 0.00 C ATOM 919 CG ARG A 54 8.073 -0.720 -7.028 1.00 0.00 C ATOM 920 CD ARG A 54 8.002 -0.321 -8.514 1.00 0.00 C ATOM 921 NE ARG A 54 6.634 -0.473 -9.071 1.00 0.00 N ATOM 922 CZ ARG A 54 6.108 -1.624 -9.539 1.00 0.00 C ATOM 923 NH1 ARG A 54 6.757 -2.787 -9.555 1.00 0.00 N ATOM 924 NH2 ARG A 54 4.875 -1.597 -10.007 1.00 0.00 N ATOM 0 H ARG A 54 8.639 0.534 -4.371 1.00 0.00 H new ATOM 0 HA ARG A 54 9.085 -2.156 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.760 0.455 -6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.198 -1.085 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.728 -1.748 -6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.387 -0.092 -6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.325 0.714 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.696 -0.936 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 54 6.045 0.359 -9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.711 -2.844 -9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.300 -3.621 -9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.349 -0.723 -10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.448 -2.450 -10.368 1.00 0.00 H new