USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=10 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 Single : A 7 THR OG1 : rot 51:sc= 0.232 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 1:sc= 0.764 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -46:sc= 0.149 USER MOD Single : A 24 ASN : amide:sc= 0.0325 X(o=0.032,f=0.03) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.813 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=-0.00692 X(o=-0.0069,f=-0.3) USER MOD Single : A 41 MET CE :methyl -179:sc= -1.56 (180deg=-1.57) USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= -1.8 (180deg=-6.14!) 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) USER MOD ----------------------------------------------------------------- ATOM 135 N THR A 7 -5.939 10.514 2.041 1.00 0.00 N ATOM 136 CA THR A 7 -4.725 10.467 1.168 1.00 0.00 C ATOM 137 C THR A 7 -3.429 10.713 2.008 1.00 0.00 C ATOM 138 O THR A 7 -2.680 11.673 1.790 1.00 0.00 O ATOM 139 CB THR A 7 -4.781 11.385 -0.092 1.00 0.00 C ATOM 140 OG1 THR A 7 -4.843 12.760 0.277 1.00 0.00 O ATOM 141 CG2 THR A 7 -5.899 11.117 -1.103 1.00 0.00 C ATOM 0 HA THR A 7 -4.701 9.456 0.761 1.00 0.00 H new ATOM 0 HB THR A 7 -3.852 11.132 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.124 12.961 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.821 11.825 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.806 10.101 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.867 11.234 -0.615 1.00 0.00 H new ATOM 149 N SER A 8 -3.163 9.810 2.965 1.00 0.00 N ATOM 150 CA SER A 8 -1.941 9.841 3.810 1.00 0.00 C ATOM 151 C SER A 8 -1.498 8.385 4.121 1.00 0.00 C ATOM 152 O SER A 8 -2.290 7.434 4.082 1.00 0.00 O ATOM 153 CB SER A 8 -2.112 10.718 5.076 1.00 0.00 C ATOM 154 OG SER A 8 -2.925 10.093 6.059 1.00 0.00 O ATOM 0 H SER A 8 -3.786 9.032 3.181 1.00 0.00 H new ATOM 0 HA SER A 8 -1.139 10.327 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.132 10.933 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.554 11.674 4.796 1.00 0.00 H new ATOM 0 HG SER A 8 -3.004 10.680 6.840 1.00 0.00 H new ATOM 160 N ILE A 9 -0.217 8.235 4.504 1.00 0.00 N ATOM 161 CA ILE A 9 0.411 6.914 4.735 1.00 0.00 C ATOM 162 C ILE A 9 0.093 6.508 6.223 1.00 0.00 C ATOM 163 O ILE A 9 -1.092 6.295 6.500 1.00 0.00 O ATOM 164 CB ILE A 9 1.901 7.068 4.231 1.00 0.00 C ATOM 165 CG1 ILE A 9 2.105 7.458 2.723 1.00 0.00 C ATOM 166 CG2 ILE A 9 2.712 5.771 4.432 1.00 0.00 C ATOM 167 CD1 ILE A 9 1.752 8.874 2.238 1.00 0.00 C ATOM 0 H ILE A 9 0.413 9.021 4.663 1.00 0.00 H new ATOM 0 HA ILE A 9 0.038 6.052 4.182 1.00 0.00 H new ATOM 0 HB ILE A 9 2.247 7.899 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.154 7.286 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.522 6.757 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.730 5.919 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.735 5.516 5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.245 4.960 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.959 8.955 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.694 9.067 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.352 9.605 2.781 1.00 0.00 H new ATOM 179 N GLU A 10 1.046 6.394 7.186 1.00 0.00 N ATOM 180 CA GLU A 10 0.771 5.998 8.596 1.00 0.00 C ATOM 181 C GLU A 10 0.476 4.469 8.685 1.00 0.00 C ATOM 182 O GLU A 10 -0.302 3.926 7.899 1.00 0.00 O ATOM 183 CB GLU A 10 -0.227 6.942 9.338 1.00 0.00 C ATOM 184 CG GLU A 10 -0.180 6.921 10.885 1.00 0.00 C ATOM 185 CD GLU A 10 -1.230 6.019 11.538 1.00 0.00 C ATOM 186 OE1 GLU A 10 -1.020 4.853 11.870 1.00 0.00 O ATOM 187 OE2 GLU A 10 -2.424 6.670 11.712 1.00 0.00 O ATOM 0 H GLU A 10 2.033 6.575 7.006 1.00 0.00 H new ATOM 0 HA GLU A 10 1.679 6.153 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.042 7.963 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.238 6.683 9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.810 6.593 11.202 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.312 7.938 11.254 1.00 0.00 H new ATOM 195 N THR A 11 1.090 3.819 9.684 1.00 0.00 N ATOM 196 CA THR A 11 1.028 2.331 9.924 1.00 0.00 C ATOM 197 C THR A 11 -0.337 1.573 9.937 1.00 0.00 C ATOM 198 O THR A 11 -0.307 0.344 10.004 1.00 0.00 O ATOM 199 CB THR A 11 2.027 1.872 11.048 1.00 0.00 C ATOM 200 OG1 THR A 11 1.847 0.527 11.478 1.00 0.00 O ATOM 201 CG2 THR A 11 2.028 2.713 12.332 1.00 0.00 C ATOM 0 H THR A 11 1.662 4.305 10.375 1.00 0.00 H new ATOM 0 HA THR A 11 1.368 1.971 8.953 1.00 0.00 H new ATOM 0 HB THR A 11 2.973 2.002 10.522 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.123 0.113 10.963 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.754 2.304 13.034 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.295 3.742 12.093 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.036 2.691 12.782 1.00 0.00 H new ATOM 209 N ASN A 12 -1.518 2.206 9.862 1.00 0.00 N ATOM 210 CA ASN A 12 -2.775 1.459 9.570 1.00 0.00 C ATOM 211 C ASN A 12 -2.912 1.166 8.041 1.00 0.00 C ATOM 212 O ASN A 12 -2.948 -0.016 7.682 1.00 0.00 O ATOM 213 CB ASN A 12 -4.011 2.036 10.294 1.00 0.00 C ATOM 214 CG ASN A 12 -4.539 3.425 9.877 1.00 0.00 C ATOM 215 OD1 ASN A 12 -5.196 3.586 8.850 1.00 0.00 O ATOM 216 ND2 ASN A 12 -4.299 4.443 10.684 1.00 0.00 N ATOM 0 H ASN A 12 -1.640 3.210 9.994 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.710 0.469 10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.827 1.323 10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.780 2.077 11.358 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.659 5.370 10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.753 4.302 11.534 1.00 0.00 H new ATOM 223 N ILE A 13 -2.952 2.190 7.146 1.00 0.00 N ATOM 224 CA ILE A 13 -2.980 1.956 5.670 1.00 0.00 C ATOM 225 C ILE A 13 -1.575 1.552 5.089 1.00 0.00 C ATOM 226 O ILE A 13 -1.542 0.626 4.287 1.00 0.00 O ATOM 227 CB ILE A 13 -3.810 3.007 4.843 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.513 2.389 3.631 1.00 0.00 C ATOM 229 CG2 ILE A 13 -3.026 4.268 4.446 1.00 0.00 C ATOM 230 CD1 ILE A 13 -3.676 2.023 2.415 1.00 0.00 C ATOM 0 H ILE A 13 -2.966 3.174 7.413 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.586 1.062 5.524 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.579 3.340 5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.021 1.485 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.285 3.086 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.675 4.936 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.676 4.777 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.170 3.986 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.320 1.598 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.188 2.917 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.920 1.292 2.700 1.00 0.00 H new ATOM 242 N ARG A 14 -0.433 2.163 5.480 1.00 0.00 N ATOM 243 CA ARG A 14 0.947 1.751 5.026 1.00 0.00 C ATOM 244 C ARG A 14 1.318 0.252 5.198 1.00 0.00 C ATOM 245 O ARG A 14 1.979 -0.316 4.338 1.00 0.00 O ATOM 246 CB ARG A 14 1.966 2.576 5.859 1.00 0.00 C ATOM 247 CG ARG A 14 3.494 2.404 5.628 1.00 0.00 C ATOM 248 CD ARG A 14 3.998 2.409 4.170 1.00 0.00 C ATOM 249 NE ARG A 14 5.436 2.047 4.088 1.00 0.00 N ATOM 250 CZ ARG A 14 6.441 2.891 3.780 1.00 0.00 C ATOM 251 NH1 ARG A 14 6.277 4.186 3.518 1.00 0.00 N ATOM 252 NH2 ARG A 14 7.666 2.402 3.735 1.00 0.00 N ATOM 0 H ARG A 14 -0.425 2.958 6.119 1.00 0.00 H new ATOM 0 HA ARG A 14 0.969 1.933 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.733 3.629 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.773 2.360 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.007 3.202 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.800 1.464 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.411 1.706 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.845 3.397 3.735 1.00 0.00 H new ATOM 0 HE ARG A 14 5.684 1.077 4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.344 4.597 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.084 4.767 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.828 1.414 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.451 3.012 3.505 1.00 0.00 H new ATOM 265 N VAL A 15 0.928 -0.319 6.336 1.00 0.00 N ATOM 266 CA VAL A 15 1.058 -1.777 6.659 1.00 0.00 C ATOM 267 C VAL A 15 0.104 -2.620 5.790 1.00 0.00 C ATOM 268 O VAL A 15 0.543 -3.637 5.264 1.00 0.00 O ATOM 269 CB VAL A 15 0.724 -1.971 8.178 1.00 0.00 C ATOM 270 CG1 VAL A 15 0.335 -3.353 8.732 1.00 0.00 C ATOM 271 CG2 VAL A 15 1.878 -1.512 9.050 1.00 0.00 C ATOM 0 H VAL A 15 0.499 0.215 7.092 1.00 0.00 H new ATOM 0 HA VAL A 15 2.074 -2.111 6.449 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.187 -1.375 8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.143 -3.275 9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.564 -3.708 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.149 -4.057 8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.621 -1.657 10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.768 -2.093 8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.074 -0.456 8.867 1.00 0.00 H new ATOM 281 N ALA A 16 -1.175 -2.214 5.665 1.00 0.00 N ATOM 282 CA ALA A 16 -2.105 -2.789 4.650 1.00 0.00 C ATOM 283 C ALA A 16 -1.543 -2.727 3.186 1.00 0.00 C ATOM 284 O ALA A 16 -1.857 -3.617 2.399 1.00 0.00 O ATOM 285 CB ALA A 16 -3.486 -2.117 4.748 1.00 0.00 C ATOM 0 H ALA A 16 -1.595 -1.491 6.250 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.208 -3.849 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.154 -2.547 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.901 -2.281 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.383 -1.047 4.570 1.00 0.00 H new ATOM 291 N LEU A 17 -0.732 -1.698 2.841 1.00 0.00 N ATOM 292 CA LEU A 17 0.029 -1.603 1.572 1.00 0.00 C ATOM 293 C LEU A 17 1.346 -2.415 1.537 1.00 0.00 C ATOM 294 O LEU A 17 1.762 -2.897 0.487 1.00 0.00 O ATOM 295 CB LEU A 17 0.282 -0.118 1.261 1.00 0.00 C ATOM 296 CG LEU A 17 -0.946 0.741 0.913 1.00 0.00 C ATOM 297 CD1 LEU A 17 -0.608 2.072 0.248 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.123 0.013 0.218 1.00 0.00 C ATOM 0 H LEU A 17 -0.586 -0.893 3.451 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.586 -2.064 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.775 0.330 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.983 -0.061 0.428 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.337 0.976 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.528 2.616 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.018 2.664 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.072 1.888 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.927 0.723 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.781 -0.414 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.491 -0.784 0.865 1.00 0.00 H new ATOM 310 N GLU A 18 2.063 -2.543 2.649 1.00 0.00 N ATOM 311 CA GLU A 18 3.199 -3.488 2.754 1.00 0.00 C ATOM 312 C GLU A 18 2.740 -4.997 2.846 1.00 0.00 C ATOM 313 O GLU A 18 3.561 -5.915 2.822 1.00 0.00 O ATOM 314 CB GLU A 18 4.186 -2.875 3.786 1.00 0.00 C ATOM 315 CG GLU A 18 4.971 -3.760 4.768 1.00 0.00 C ATOM 316 CD GLU A 18 4.186 -4.200 6.009 1.00 0.00 C ATOM 317 OE1 GLU A 18 4.136 -3.536 7.043 1.00 0.00 O ATOM 318 OE2 GLU A 18 3.572 -5.413 5.841 1.00 0.00 O ATOM 0 H GLU A 18 1.886 -2.008 3.499 1.00 0.00 H new ATOM 0 HA GLU A 18 3.789 -3.596 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.920 -2.301 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.617 -2.164 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.314 -4.649 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.860 -3.219 5.091 1.00 0.00 H new ATOM 326 N LYS A 19 1.448 -5.250 3.099 1.00 0.00 N ATOM 327 CA LYS A 19 0.779 -6.572 3.077 1.00 0.00 C ATOM 328 C LYS A 19 -0.045 -6.924 1.792 1.00 0.00 C ATOM 329 O LYS A 19 -0.206 -8.101 1.459 1.00 0.00 O ATOM 330 CB LYS A 19 0.180 -6.591 4.522 1.00 0.00 C ATOM 331 CG LYS A 19 -0.251 -7.852 5.280 1.00 0.00 C ATOM 332 CD LYS A 19 -0.363 -7.504 6.799 1.00 0.00 C ATOM 333 CE LYS A 19 -1.000 -8.635 7.624 1.00 0.00 C ATOM 334 NZ LYS A 19 -1.071 -8.288 9.054 1.00 0.00 N ATOM 0 H LYS A 19 0.800 -4.500 3.339 1.00 0.00 H new ATOM 0 HA LYS A 19 1.396 -7.456 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.915 -6.097 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.698 -5.946 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.208 -8.212 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.473 -8.652 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.631 -7.289 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.955 -6.597 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.002 -8.840 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.419 -9.549 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.506 -9.073 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.112 -8.116 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.646 -7.430 9.175 1.00 0.00 H new ATOM 347 N SER A 20 -0.529 -5.893 1.069 1.00 0.00 N ATOM 348 CA SER A 20 -1.129 -5.975 -0.303 1.00 0.00 C ATOM 349 C SER A 20 -0.307 -6.714 -1.396 1.00 0.00 C ATOM 350 O SER A 20 -0.841 -7.438 -2.238 1.00 0.00 O ATOM 351 CB SER A 20 -1.281 -4.498 -0.731 1.00 0.00 C ATOM 352 OG SER A 20 -0.074 -3.800 -0.855 1.00 0.00 O ATOM 0 H SER A 20 -0.518 -4.938 1.428 1.00 0.00 H new ATOM 0 HA SER A 20 -2.043 -6.564 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.806 -4.462 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.909 -3.985 -0.003 1.00 0.00 H new ATOM 0 HG SER A 20 0.489 -3.978 -0.072 1.00 0.00 H new ATOM 358 N PHE A 21 0.994 -6.444 -1.343 1.00 0.00 N ATOM 359 CA PHE A 21 2.032 -6.911 -2.264 1.00 0.00 C ATOM 360 C PHE A 21 2.439 -8.393 -2.008 1.00 0.00 C ATOM 361 O PHE A 21 2.591 -9.185 -2.938 1.00 0.00 O ATOM 362 CB PHE A 21 3.127 -5.848 -1.991 1.00 0.00 C ATOM 363 CG PHE A 21 4.300 -5.840 -2.972 1.00 0.00 C ATOM 364 CD1 PHE A 21 5.418 -6.647 -2.765 1.00 0.00 C ATOM 365 CD2 PHE A 21 4.330 -4.842 -3.949 1.00 0.00 C ATOM 366 CE1 PHE A 21 6.600 -6.378 -3.437 1.00 0.00 C ATOM 367 CE2 PHE A 21 5.510 -4.582 -4.631 1.00 0.00 C ATOM 368 CZ PHE A 21 6.657 -5.314 -4.331 1.00 0.00 C ATOM 0 H PHE A 21 1.380 -5.853 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 21 1.751 -6.969 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.662 -4.862 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.518 -6.006 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.363 -7.481 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.438 -4.275 -4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.472 -6.992 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.539 -3.815 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.596 -5.053 -4.796 1.00 0.00 H new ATOM 378 N LEU A 22 2.599 -8.756 -0.728 1.00 0.00 N ATOM 379 CA LEU A 22 2.834 -10.159 -0.275 1.00 0.00 C ATOM 380 C LEU A 22 1.657 -11.176 -0.473 1.00 0.00 C ATOM 381 O LEU A 22 1.873 -12.390 -0.448 1.00 0.00 O ATOM 382 CB LEU A 22 3.304 -10.049 1.185 1.00 0.00 C ATOM 383 CG LEU A 22 4.825 -9.780 1.303 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.453 -8.642 0.490 1.00 0.00 C ATOM 385 CD2 LEU A 22 5.168 -9.582 2.772 1.00 0.00 C ATOM 0 H LEU A 22 2.571 -8.086 0.041 1.00 0.00 H new ATOM 0 HA LEU A 22 3.585 -10.611 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.757 -9.246 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.060 -10.972 1.712 1.00 0.00 H new ATOM 0 HG LEU A 22 5.265 -10.667 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.523 -8.597 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.293 -8.823 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.990 -7.696 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.236 -9.391 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.609 -8.733 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.905 -10.480 3.331 1.00 0.00 H new ATOM 397 N GLU A 23 0.447 -10.654 -0.724 1.00 0.00 N ATOM 398 CA GLU A 23 -0.765 -11.431 -1.098 1.00 0.00 C ATOM 399 C GLU A 23 -0.677 -11.664 -2.642 1.00 0.00 C ATOM 400 O GLU A 23 -0.453 -12.801 -3.068 1.00 0.00 O ATOM 401 CB GLU A 23 -2.026 -10.659 -0.595 1.00 0.00 C ATOM 402 CG GLU A 23 -3.356 -11.446 -0.589 1.00 0.00 C ATOM 403 CD GLU A 23 -3.980 -11.671 -1.972 1.00 0.00 C ATOM 404 OE1 GLU A 23 -4.536 -10.782 -2.617 1.00 0.00 O ATOM 405 OE2 GLU A 23 -3.838 -12.965 -2.402 1.00 0.00 O ATOM 0 H GLU A 23 0.270 -9.651 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.837 -12.413 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.831 -10.310 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.156 -9.774 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.185 -12.416 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.074 -10.913 0.035 1.00 0.00 H new ATOM 413 N ASN A 24 -0.822 -10.595 -3.447 1.00 0.00 N ATOM 414 CA ASN A 24 -0.544 -10.611 -4.909 1.00 0.00 C ATOM 415 C ASN A 24 0.384 -9.391 -5.152 1.00 0.00 C ATOM 416 O ASN A 24 0.100 -8.260 -4.739 1.00 0.00 O ATOM 417 CB ASN A 24 -1.764 -10.525 -5.854 1.00 0.00 C ATOM 418 CG ASN A 24 -2.897 -11.532 -5.666 1.00 0.00 C ATOM 419 OD1 ASN A 24 -2.721 -12.669 -5.228 1.00 0.00 O ATOM 420 ND2 ASN A 24 -4.081 -11.135 -6.081 1.00 0.00 N ATOM 0 H ASN A 24 -1.137 -9.687 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.113 -11.582 -5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.188 -9.525 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.400 -10.621 -6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.875 -11.774 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.204 -10.188 -6.440 1.00 0.00 H new ATOM 427 N GLN A 25 1.487 -9.637 -5.864 1.00 0.00 N ATOM 428 CA GLN A 25 2.543 -8.604 -6.102 1.00 0.00 C ATOM 429 C GLN A 25 2.152 -7.468 -7.080 1.00 0.00 C ATOM 430 O GLN A 25 2.346 -6.301 -6.735 1.00 0.00 O ATOM 431 CB GLN A 25 3.911 -9.251 -6.459 1.00 0.00 C ATOM 432 CG GLN A 25 5.110 -8.591 -5.750 1.00 0.00 C ATOM 433 CD GLN A 25 6.476 -9.157 -6.165 1.00 0.00 C ATOM 434 OE1 GLN A 25 6.891 -10.221 -5.708 1.00 0.00 O ATOM 435 NE2 GLN A 25 7.206 -8.458 -7.021 1.00 0.00 N ATOM 0 H GLN A 25 1.688 -10.540 -6.294 1.00 0.00 H new ATOM 0 HA GLN A 25 2.650 -8.095 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.882 -10.309 -6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.060 -9.193 -7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.095 -7.521 -5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.992 -8.710 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.851 -7.577 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.123 -8.801 -7.308 1.00 0.00 H new ATOM 444 N LYS A 26 1.613 -7.826 -8.260 1.00 0.00 N ATOM 445 CA LYS A 26 1.134 -6.876 -9.298 1.00 0.00 C ATOM 446 C LYS A 26 -0.053 -6.001 -8.831 1.00 0.00 C ATOM 447 O LYS A 26 -1.155 -6.539 -8.680 1.00 0.00 O ATOM 448 CB LYS A 26 0.769 -7.664 -10.590 1.00 0.00 C ATOM 449 CG LYS A 26 1.929 -8.347 -11.360 1.00 0.00 C ATOM 450 CD LYS A 26 3.062 -7.430 -11.886 1.00 0.00 C ATOM 451 CE LYS A 26 2.662 -6.298 -12.857 1.00 0.00 C ATOM 452 NZ LYS A 26 2.151 -6.788 -14.151 1.00 0.00 N ATOM 0 H LYS A 26 1.493 -8.802 -8.530 1.00 0.00 H new ATOM 0 HA LYS A 26 1.949 -6.181 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.044 -8.432 -10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.269 -6.978 -11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.376 -9.095 -10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.503 -8.881 -12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.557 -6.978 -11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.800 -8.058 -12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.900 -5.678 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.527 -5.660 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.901 -5.979 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.884 -7.357 -14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.307 -7.374 -13.991 1.00 0.00 H new ATOM 465 N PRO A 27 0.116 -4.655 -8.660 1.00 0.00 N ATOM 466 CA PRO A 27 -0.972 -3.679 -8.506 1.00 0.00 C ATOM 467 C PRO A 27 -2.284 -3.837 -9.282 1.00 0.00 C ATOM 468 O PRO A 27 -3.314 -3.516 -8.695 1.00 0.00 O ATOM 469 CB PRO A 27 -0.253 -2.368 -8.941 1.00 0.00 C ATOM 470 CG PRO A 27 1.229 -2.690 -9.086 1.00 0.00 C ATOM 471 CD PRO A 27 1.361 -3.965 -8.265 1.00 0.00 C ATOM 0 HA PRO A 27 -1.365 -3.764 -7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.660 -2.001 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.405 -1.583 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.512 -2.845 -10.127 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.860 -1.889 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.253 -4.536 -8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.406 -3.768 -7.194 1.00 0.00 H new ATOM 479 N THR A 28 -2.187 -4.289 -10.554 1.00 0.00 N ATOM 480 CA THR A 28 -3.222 -4.379 -11.580 1.00 0.00 C ATOM 481 C THR A 28 -4.070 -3.109 -11.704 1.00 0.00 C ATOM 482 O THR A 28 -4.701 -2.708 -10.727 1.00 0.00 O ATOM 483 CB THR A 28 -3.728 -5.756 -12.149 1.00 0.00 C ATOM 484 OG1 THR A 28 -5.138 -5.878 -12.095 1.00 0.00 O ATOM 485 CG2 THR A 28 -3.094 -7.035 -11.573 1.00 0.00 C ATOM 0 H THR A 28 -1.293 -4.629 -10.909 1.00 0.00 H new ATOM 0 HA THR A 28 -2.636 -4.433 -12.497 1.00 0.00 H new ATOM 0 HB THR A 28 -3.379 -5.700 -13.180 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.405 -6.747 -12.460 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.535 -7.908 -12.054 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.020 -7.023 -11.757 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.278 -7.081 -10.500 1.00 0.00 H new ATOM 493 N SER A 29 -4.120 -2.447 -12.873 1.00 0.00 N ATOM 494 CA SER A 29 -5.137 -1.369 -13.097 1.00 0.00 C ATOM 495 C SER A 29 -6.607 -1.758 -12.670 1.00 0.00 C ATOM 496 O SER A 29 -7.405 -0.900 -12.285 1.00 0.00 O ATOM 497 CB SER A 29 -5.128 -1.021 -14.598 1.00 0.00 C ATOM 498 OG SER A 29 -4.126 -0.059 -14.900 1.00 0.00 O ATOM 0 H SER A 29 -3.497 -2.620 -13.662 1.00 0.00 H new ATOM 0 HA SER A 29 -4.856 -0.526 -12.465 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.955 -1.925 -15.182 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.105 -0.635 -14.890 1.00 0.00 H new ATOM 0 HG SER A 29 -4.143 0.141 -15.859 1.00 0.00 H new ATOM 504 N GLU A 30 -6.895 -3.073 -12.757 1.00 0.00 N ATOM 505 CA GLU A 30 -8.166 -3.677 -12.235 1.00 0.00 C ATOM 506 C GLU A 30 -8.088 -3.974 -10.702 1.00 0.00 C ATOM 507 O GLU A 30 -8.974 -3.592 -9.936 1.00 0.00 O ATOM 508 CB GLU A 30 -8.577 -4.934 -13.049 1.00 0.00 C ATOM 509 CG GLU A 30 -8.970 -4.665 -14.518 1.00 0.00 C ATOM 510 CD GLU A 30 -9.388 -5.938 -15.257 1.00 0.00 C ATOM 511 OE1 GLU A 30 -10.557 -6.312 -15.355 1.00 0.00 O ATOM 512 OE2 GLU A 30 -8.315 -6.606 -15.789 1.00 0.00 O ATOM 0 H GLU A 30 -6.267 -3.753 -13.186 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.952 -2.934 -12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.749 -5.643 -13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.417 -5.414 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.790 -3.947 -14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.128 -4.207 -15.038 1.00 0.00 H new ATOM 520 N GLU A 31 -7.012 -4.665 -10.287 1.00 0.00 N ATOM 521 CA GLU A 31 -6.669 -5.015 -8.887 1.00 0.00 C ATOM 522 C GLU A 31 -6.617 -3.821 -7.875 1.00 0.00 C ATOM 523 O GLU A 31 -7.058 -4.018 -6.747 1.00 0.00 O ATOM 524 CB GLU A 31 -5.333 -5.813 -9.031 1.00 0.00 C ATOM 525 CG GLU A 31 -4.687 -6.364 -7.741 1.00 0.00 C ATOM 526 CD GLU A 31 -5.521 -7.431 -7.026 1.00 0.00 C ATOM 527 OE1 GLU A 31 -6.199 -7.205 -6.025 1.00 0.00 O ATOM 528 OE2 GLU A 31 -5.427 -8.655 -7.637 1.00 0.00 O ATOM 0 H GLU A 31 -6.319 -5.015 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.459 -5.602 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.514 -6.653 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.606 -5.165 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.713 -6.786 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.511 -5.536 -7.054 1.00 0.00 H new ATOM 536 N ILE A 32 -6.138 -2.610 -8.249 1.00 0.00 N ATOM 537 CA ILE A 32 -6.188 -1.366 -7.406 1.00 0.00 C ATOM 538 C ILE A 32 -7.657 -1.073 -6.954 1.00 0.00 C ATOM 539 O ILE A 32 -7.913 -1.024 -5.756 1.00 0.00 O ATOM 540 CB ILE A 32 -5.397 -0.213 -8.144 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.883 -0.208 -7.770 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.890 1.248 -7.972 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.930 -0.184 -8.967 1.00 0.00 C ATOM 0 H ILE A 32 -5.697 -2.456 -9.156 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.667 -1.481 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.591 -0.487 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.680 0.661 -7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.668 -1.092 -7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.244 1.919 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.913 1.332 -8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.860 1.520 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.900 -0.182 -8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.099 -1.066 -9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.111 0.713 -9.559 1.00 0.00 H new ATOM 555 N THR A 33 -8.622 -1.002 -7.886 1.00 0.00 N ATOM 556 CA THR A 33 -10.083 -0.896 -7.565 1.00 0.00 C ATOM 557 C THR A 33 -10.638 -1.975 -6.562 1.00 0.00 C ATOM 558 O THR A 33 -11.418 -1.623 -5.673 1.00 0.00 O ATOM 559 CB THR A 33 -10.859 -0.853 -8.929 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.768 0.461 -9.469 1.00 0.00 O ATOM 561 CG2 THR A 33 -12.350 -1.252 -8.899 1.00 0.00 C ATOM 0 H THR A 33 -8.427 -1.015 -8.887 1.00 0.00 H new ATOM 0 HA THR A 33 -10.244 0.024 -7.002 1.00 0.00 H new ATOM 0 HB THR A 33 -10.372 -1.615 -9.537 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.248 0.498 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.766 -1.179 -9.904 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.445 -2.277 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.893 -0.582 -8.232 1.00 0.00 H new ATOM 569 N MET A 34 -10.270 -3.257 -6.712 1.00 0.00 N ATOM 570 CA MET A 34 -10.695 -4.350 -5.796 1.00 0.00 C ATOM 571 C MET A 34 -10.021 -4.293 -4.381 1.00 0.00 C ATOM 572 O MET A 34 -10.718 -4.526 -3.389 1.00 0.00 O ATOM 573 CB MET A 34 -10.441 -5.674 -6.563 1.00 0.00 C ATOM 574 CG MET A 34 -11.502 -6.073 -7.607 1.00 0.00 C ATOM 575 SD MET A 34 -11.455 -4.972 -9.037 1.00 0.00 S ATOM 576 CE MET A 34 -12.748 -5.687 -10.068 1.00 0.00 C ATOM 0 H MET A 34 -9.668 -3.575 -7.471 1.00 0.00 H new ATOM 0 HA MET A 34 -11.751 -4.251 -5.546 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.477 -5.598 -7.067 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.357 -6.481 -5.835 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.331 -7.100 -7.929 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.493 -6.042 -7.153 1.00 0.00 H new ATOM 0 HE1 MET A 34 -12.837 -5.113 -10.990 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.494 -6.720 -10.307 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.697 -5.662 -9.532 1.00 0.00 H new ATOM 586 N ILE A 35 -8.710 -3.963 -4.269 1.00 0.00 N ATOM 587 CA ILE A 35 -8.033 -3.634 -2.964 1.00 0.00 C ATOM 588 C ILE A 35 -8.727 -2.393 -2.290 1.00 0.00 C ATOM 589 O ILE A 35 -8.927 -2.416 -1.077 1.00 0.00 O ATOM 590 CB ILE A 35 -6.482 -3.386 -3.149 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.702 -4.540 -3.823 1.00 0.00 C ATOM 592 CG2 ILE A 35 -5.691 -2.977 -1.867 1.00 0.00 C ATOM 593 CD1 ILE A 35 -4.317 -4.138 -4.346 1.00 0.00 C ATOM 0 H ILE A 35 -8.083 -3.914 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.140 -4.496 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.522 -2.529 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.586 -5.353 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.293 -4.928 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.640 -2.835 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.098 -2.047 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.782 -3.763 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.836 -5.002 -4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.424 -3.347 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.706 -3.779 -3.518 1.00 0.00 H new ATOM 605 N ALA A 36 -9.100 -1.351 -3.070 1.00 0.00 N ATOM 606 CA ALA A 36 -9.832 -0.139 -2.582 1.00 0.00 C ATOM 607 C ALA A 36 -11.153 -0.416 -1.825 1.00 0.00 C ATOM 608 O ALA A 36 -11.418 0.195 -0.787 1.00 0.00 O ATOM 609 CB ALA A 36 -10.142 0.809 -3.764 1.00 0.00 C ATOM 0 H ALA A 36 -8.902 -1.320 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.152 0.312 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.674 1.686 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.210 1.121 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.761 0.289 -4.495 1.00 0.00 H new ATOM 615 N ASP A 37 -11.954 -1.345 -2.372 1.00 0.00 N ATOM 616 CA ASP A 37 -13.231 -1.790 -1.781 1.00 0.00 C ATOM 617 C ASP A 37 -13.050 -2.657 -0.497 1.00 0.00 C ATOM 618 O ASP A 37 -13.760 -2.429 0.486 1.00 0.00 O ATOM 619 CB ASP A 37 -13.969 -2.575 -2.910 1.00 0.00 C ATOM 620 CG ASP A 37 -15.488 -2.612 -2.719 1.00 0.00 C ATOM 621 OD1 ASP A 37 -16.075 -3.518 -2.129 1.00 0.00 O ATOM 622 OD2 ASP A 37 -16.105 -1.522 -3.277 1.00 0.00 O ATOM 0 H ASP A 37 -11.732 -1.816 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.808 -0.931 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.740 -2.117 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.588 -3.596 -2.944 1.00 0.00 H new ATOM 628 N GLN A 38 -12.108 -3.630 -0.513 1.00 0.00 N ATOM 629 CA GLN A 38 -11.671 -4.377 0.710 1.00 0.00 C ATOM 630 C GLN A 38 -11.158 -3.431 1.864 1.00 0.00 C ATOM 631 O GLN A 38 -11.458 -3.659 3.038 1.00 0.00 O ATOM 632 CB GLN A 38 -10.608 -5.418 0.260 1.00 0.00 C ATOM 633 CG GLN A 38 -10.207 -6.449 1.339 1.00 0.00 C ATOM 634 CD GLN A 38 -9.145 -7.443 0.840 1.00 0.00 C ATOM 635 OE1 GLN A 38 -7.954 -7.136 0.799 1.00 0.00 O ATOM 636 NE2 GLN A 38 -9.546 -8.644 0.451 1.00 0.00 N ATOM 0 H GLN A 38 -11.627 -3.924 -1.363 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.525 -4.887 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.991 -5.954 -0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.713 -4.885 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.825 -5.924 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.092 -6.999 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.536 -8.888 0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.865 -9.324 0.113 1.00 0.00 H new ATOM 645 N LEU A 39 -10.431 -2.358 1.489 1.00 0.00 N ATOM 646 CA LEU A 39 -9.984 -1.257 2.378 1.00 0.00 C ATOM 647 C LEU A 39 -11.151 -0.192 2.395 1.00 0.00 C ATOM 648 O LEU A 39 -12.326 -0.455 2.108 1.00 0.00 O ATOM 649 CB LEU A 39 -8.644 -0.735 1.715 1.00 0.00 C ATOM 650 CG LEU A 39 -7.469 -0.199 2.583 1.00 0.00 C ATOM 651 CD1 LEU A 39 -6.198 -0.011 1.747 1.00 0.00 C ATOM 652 CD2 LEU A 39 -7.770 0.968 3.546 1.00 0.00 C ATOM 0 H LEU A 39 -10.126 -2.227 0.524 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.785 -1.527 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.247 -1.553 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.920 0.063 1.026 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.288 -1.000 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.396 0.364 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.901 -0.967 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.391 0.704 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.862 1.238 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.123 1.828 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.538 0.664 4.257 1.00 0.00 H new ATOM 664 N ASN A 40 -10.797 1.027 2.785 1.00 0.00 N ATOM 665 CA ASN A 40 -11.644 2.240 2.669 1.00 0.00 C ATOM 666 C ASN A 40 -10.580 3.355 2.425 1.00 0.00 C ATOM 667 O ASN A 40 -10.285 4.162 3.313 1.00 0.00 O ATOM 668 CB ASN A 40 -12.555 2.396 3.919 1.00 0.00 C ATOM 669 CG ASN A 40 -13.641 3.457 3.803 1.00 0.00 C ATOM 670 OD1 ASN A 40 -13.422 4.605 3.420 1.00 0.00 O ATOM 671 ND2 ASN A 40 -14.809 3.111 4.298 1.00 0.00 N ATOM 0 H ASN A 40 -9.888 1.220 3.205 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.381 2.243 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.028 1.436 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.928 2.634 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.557 3.801 4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.967 2.153 4.609 1.00 0.00 H new ATOM 678 N MET A 41 -9.987 3.350 1.209 1.00 0.00 N ATOM 679 CA MET A 41 -8.790 4.197 0.895 1.00 0.00 C ATOM 680 C MET A 41 -9.099 5.166 -0.282 1.00 0.00 C ATOM 681 O MET A 41 -9.766 4.753 -1.241 1.00 0.00 O ATOM 682 CB MET A 41 -7.674 3.250 0.364 1.00 0.00 C ATOM 683 CG MET A 41 -6.205 3.699 0.524 1.00 0.00 C ATOM 684 SD MET A 41 -5.792 5.423 0.224 1.00 0.00 S ATOM 685 CE MET A 41 -4.623 5.679 1.585 1.00 0.00 C ATOM 0 H MET A 41 -10.307 2.777 0.428 1.00 0.00 H new ATOM 0 HA MET A 41 -8.508 4.751 1.790 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.786 2.288 0.865 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.857 3.080 -0.697 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.894 3.457 1.540 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.599 3.092 -0.148 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.269 6.710 1.572 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.120 5.478 2.534 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.776 5.003 1.469 1.00 0.00 H new ATOM 695 N GLU A 42 -8.588 6.419 -0.264 1.00 0.00 N ATOM 696 CA GLU A 42 -8.539 7.239 -1.519 1.00 0.00 C ATOM 697 C GLU A 42 -7.283 6.762 -2.295 1.00 0.00 C ATOM 698 O GLU A 42 -6.131 7.038 -1.967 1.00 0.00 O ATOM 699 CB GLU A 42 -8.599 8.756 -1.418 1.00 0.00 C ATOM 700 CG GLU A 42 -9.782 9.334 -0.618 1.00 0.00 C ATOM 701 CD GLU A 42 -9.710 10.848 -0.423 1.00 0.00 C ATOM 702 OE1 GLU A 42 -9.355 11.380 0.628 1.00 0.00 O ATOM 703 OE2 GLU A 42 -10.090 11.534 -1.548 1.00 0.00 O ATOM 0 H GLU A 42 -8.215 6.880 0.566 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.482 7.056 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.673 9.107 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.634 9.166 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.711 9.086 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.819 8.852 0.359 1.00 0.00 H new ATOM 711 N LYS A 43 -7.613 5.992 -3.309 1.00 0.00 N ATOM 712 CA LYS A 43 -6.665 5.152 -4.090 1.00 0.00 C ATOM 713 C LYS A 43 -5.743 5.688 -5.195 1.00 0.00 C ATOM 714 O LYS A 43 -4.866 4.949 -5.659 1.00 0.00 O ATOM 715 CB LYS A 43 -7.425 3.886 -4.527 1.00 0.00 C ATOM 716 CG LYS A 43 -7.190 2.709 -3.543 1.00 0.00 C ATOM 717 CD LYS A 43 -6.529 1.497 -4.211 1.00 0.00 C ATOM 718 CE LYS A 43 -6.188 0.267 -3.342 1.00 0.00 C ATOM 719 NZ LYS A 43 -6.422 0.335 -1.881 1.00 0.00 N ATOM 0 H LYS A 43 -8.574 5.915 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.862 5.014 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.491 4.104 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.103 3.595 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.563 3.050 -2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.144 2.405 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.186 1.163 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.605 1.839 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.759 -0.578 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.134 0.037 -3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.556 0.057 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.680 1.307 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.195 -0.311 -1.623 1.00 0.00 H new ATOM 732 N GLU A 44 -5.895 6.958 -5.562 1.00 0.00 N ATOM 733 CA GLU A 44 -4.876 7.684 -6.399 1.00 0.00 C ATOM 734 C GLU A 44 -3.411 7.555 -5.822 1.00 0.00 C ATOM 735 O GLU A 44 -2.446 7.386 -6.572 1.00 0.00 O ATOM 736 CB GLU A 44 -5.245 9.188 -6.500 1.00 0.00 C ATOM 737 CG GLU A 44 -6.569 9.485 -7.230 1.00 0.00 C ATOM 738 CD GLU A 44 -6.850 10.983 -7.371 1.00 0.00 C ATOM 739 OE1 GLU A 44 -6.541 11.639 -8.365 1.00 0.00 O ATOM 740 OE2 GLU A 44 -7.480 11.500 -6.267 1.00 0.00 O ATOM 0 H GLU A 44 -6.703 7.526 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.891 7.218 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.302 9.601 -5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.439 9.711 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.541 9.031 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.390 9.016 -6.687 1.00 0.00 H new ATOM 748 N VAL A 45 -3.312 7.570 -4.476 1.00 0.00 N ATOM 749 CA VAL A 45 -2.090 7.264 -3.690 1.00 0.00 C ATOM 750 C VAL A 45 -1.466 5.853 -3.954 1.00 0.00 C ATOM 751 O VAL A 45 -0.267 5.782 -4.161 1.00 0.00 O ATOM 752 CB VAL A 45 -2.285 7.482 -2.145 1.00 0.00 C ATOM 753 CG1 VAL A 45 -3.154 8.638 -1.692 1.00 0.00 C ATOM 754 CG2 VAL A 45 -2.929 6.364 -1.346 1.00 0.00 C ATOM 0 H VAL A 45 -4.108 7.804 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.371 7.994 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.221 7.619 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.193 8.659 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.734 9.575 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.162 8.513 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.997 6.658 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.929 6.169 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.324 5.461 -1.431 1.00 0.00 H new ATOM 764 N ILE A 46 -2.271 4.774 -3.902 1.00 0.00 N ATOM 765 CA ILE A 46 -1.812 3.338 -3.939 1.00 0.00 C ATOM 766 C ILE A 46 -1.127 2.874 -5.228 1.00 0.00 C ATOM 767 O ILE A 46 -0.134 2.164 -5.130 1.00 0.00 O ATOM 768 CB ILE A 46 -2.917 2.292 -3.563 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.894 2.762 -2.483 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.373 0.895 -3.182 1.00 0.00 C ATOM 771 CD1 ILE A 46 -3.340 3.262 -1.184 1.00 0.00 C ATOM 0 H ILE A 46 -3.285 4.860 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.052 3.362 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.467 2.198 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.503 3.558 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.565 1.932 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.205 0.235 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.816 0.480 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.714 0.984 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.159 3.556 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.760 2.472 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.697 4.123 -1.370 1.00 0.00 H new ATOM 783 N ARG A 47 -1.661 3.219 -6.407 1.00 0.00 N ATOM 784 CA ARG A 47 -0.940 3.005 -7.698 1.00 0.00 C ATOM 785 C ARG A 47 0.490 3.677 -7.676 1.00 0.00 C ATOM 786 O ARG A 47 1.454 3.075 -8.144 1.00 0.00 O ATOM 787 CB ARG A 47 -1.824 3.450 -8.891 1.00 0.00 C ATOM 788 CG ARG A 47 -1.260 3.025 -10.265 1.00 0.00 C ATOM 789 CD ARG A 47 -2.273 3.152 -11.421 1.00 0.00 C ATOM 790 NE ARG A 47 -1.703 2.740 -12.730 1.00 0.00 N ATOM 791 CZ ARG A 47 -1.557 1.465 -13.150 1.00 0.00 C ATOM 792 NH1 ARG A 47 -1.898 0.399 -12.430 1.00 0.00 N ATOM 793 NH2 ARG A 47 -1.038 1.263 -14.347 1.00 0.00 N ATOM 0 H ARG A 47 -2.582 3.645 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.756 1.939 -7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.822 3.029 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.930 4.535 -8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.385 3.634 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.921 1.991 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.148 2.540 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.615 4.185 -11.487 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.397 3.480 -13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.297 0.519 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.760 -0.538 -12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.761 2.058 -14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.914 0.312 -14.695 1.00 0.00 H new ATOM 806 N VAL A 48 0.589 4.882 -7.067 1.00 0.00 N ATOM 807 CA VAL A 48 1.851 5.591 -6.735 1.00 0.00 C ATOM 808 C VAL A 48 2.667 4.845 -5.604 1.00 0.00 C ATOM 809 O VAL A 48 3.851 4.599 -5.852 1.00 0.00 O ATOM 810 CB VAL A 48 1.469 7.105 -6.517 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.125 7.805 -5.318 1.00 0.00 C ATOM 812 CG2 VAL A 48 1.702 7.935 -7.797 1.00 0.00 C ATOM 0 H VAL A 48 -0.237 5.408 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 48 2.587 5.577 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 48 0.407 7.062 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.786 8.840 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.846 7.290 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.209 7.783 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.429 8.974 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.753 7.881 -8.079 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.089 7.537 -8.605 1.00 0.00 H new ATOM 822 N TRP A 49 2.106 4.474 -4.410 1.00 0.00 N ATOM 823 CA TRP A 49 2.839 3.631 -3.396 1.00 0.00 C ATOM 824 C TRP A 49 3.406 2.297 -3.988 1.00 0.00 C ATOM 825 O TRP A 49 4.580 1.990 -3.783 1.00 0.00 O ATOM 826 CB TRP A 49 1.954 3.289 -2.154 1.00 0.00 C ATOM 827 CG TRP A 49 2.737 2.671 -0.972 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.464 3.399 -0.009 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.060 1.334 -0.744 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.243 2.556 0.802 1.00 0.00 N ATOM 831 CE2 TRP A 49 3.985 1.281 0.326 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.693 0.143 -1.430 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.581 0.049 0.693 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.354 -1.051 -1.104 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.265 -1.088 -0.052 1.00 0.00 C ATOM 0 H TRP A 49 1.163 4.739 -4.125 1.00 0.00 H new ATOM 0 HA TRP A 49 3.678 4.254 -3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.459 4.198 -1.812 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.171 2.595 -2.459 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.427 4.474 0.093 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.860 2.823 1.569 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.922 0.158 -2.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.263 -0.009 1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.155 -1.947 -1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.742 -2.025 0.195 1.00 0.00 H new ATOM 846 N PHE A 50 2.554 1.520 -4.681 1.00 0.00 N ATOM 847 CA PHE A 50 2.921 0.279 -5.396 1.00 0.00 C ATOM 848 C PHE A 50 4.040 0.476 -6.472 1.00 0.00 C ATOM 849 O PHE A 50 4.912 -0.386 -6.566 1.00 0.00 O ATOM 850 CB PHE A 50 1.595 -0.287 -6.004 1.00 0.00 C ATOM 851 CG PHE A 50 0.605 -1.134 -5.155 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.095 -1.985 -4.169 1.00 0.00 C ATOM 853 CD2 PHE A 50 -0.699 -1.309 -5.616 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.369 -3.093 -3.775 1.00 0.00 C ATOM 855 CE2 PHE A 50 -1.457 -2.386 -5.170 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.889 -3.334 -4.303 1.00 0.00 C ATOM 0 H PHE A 50 1.562 1.743 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 50 3.368 -0.430 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.034 0.565 -6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.876 -0.896 -6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.050 -1.778 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.121 -0.607 -6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.786 -3.776 -3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.483 -2.494 -5.490 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.425 -4.237 -4.052 1.00 0.00 H new ATOM 866 N CYS A 51 4.040 1.588 -7.245 1.00 0.00 N ATOM 867 CA CYS A 51 5.168 1.971 -8.151 1.00 0.00 C ATOM 868 C CYS A 51 6.545 2.222 -7.452 1.00 0.00 C ATOM 869 O CYS A 51 7.600 1.918 -8.017 1.00 0.00 O ATOM 870 CB CYS A 51 4.789 3.269 -8.901 1.00 0.00 C ATOM 871 SG CYS A 51 5.685 3.343 -10.486 1.00 0.00 S ATOM 0 H CYS A 51 3.263 2.249 -7.264 1.00 0.00 H new ATOM 0 HA CYS A 51 5.305 1.111 -8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.714 3.298 -9.078 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.035 4.138 -8.291 1.00 0.00 H new ATOM 0 HG CYS A 51 5.363 4.434 -11.116 1.00 0.00 H new ATOM 877 N ASN A 52 6.498 2.748 -6.215 1.00 0.00 N ATOM 878 CA ASN A 52 7.691 3.035 -5.382 1.00 0.00 C ATOM 879 C ASN A 52 8.200 1.741 -4.669 1.00 0.00 C ATOM 880 O ASN A 52 9.404 1.479 -4.767 1.00 0.00 O ATOM 881 CB ASN A 52 7.330 4.187 -4.400 1.00 0.00 C ATOM 882 CG ASN A 52 8.546 4.816 -3.693 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.066 4.283 -2.712 1.00 0.00 O ATOM 884 ND2 ASN A 52 9.015 5.958 -4.172 1.00 0.00 N ATOM 0 H ASN A 52 5.621 2.991 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 52 8.526 3.366 -6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.800 4.965 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.642 3.805 -3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.816 6.407 -3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.575 6.389 -4.985 1.00 0.00 H new ATOM 891 N ARG A 53 7.350 0.916 -4.001 1.00 0.00 N ATOM 892 CA ARG A 53 7.785 -0.357 -3.400 1.00 0.00 C ATOM 893 C ARG A 53 8.169 -1.496 -4.408 1.00 0.00 C ATOM 894 O ARG A 53 9.068 -2.276 -4.093 1.00 0.00 O ATOM 895 CB ARG A 53 6.671 -0.730 -2.391 1.00 0.00 C ATOM 896 CG ARG A 53 7.183 -1.671 -1.287 1.00 0.00 C ATOM 897 CD ARG A 53 6.988 -3.144 -1.595 1.00 0.00 C ATOM 898 NE ARG A 53 5.996 -4.010 -0.963 1.00 0.00 N ATOM 899 CZ ARG A 53 5.890 -4.293 0.330 1.00 0.00 C ATOM 900 NH1 ARG A 53 6.438 -3.603 1.307 1.00 0.00 N ATOM 901 NH2 ARG A 53 5.094 -5.263 0.641 1.00 0.00 N ATOM 0 H ARG A 53 6.359 1.118 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 53 8.746 -0.228 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.274 0.178 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.847 -1.208 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.244 -1.481 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.671 -1.434 -0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.796 -3.202 -2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.954 -3.617 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 53 5.311 -4.444 -1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.997 -2.777 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.303 -3.894 2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.590 -5.763 -0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.970 -5.528 1.618 1.00 0.00 H new ATOM 914 N ARG A 54 7.533 -1.604 -5.596 1.00 0.00 N ATOM 915 CA ARG A 54 7.911 -2.598 -6.655 1.00 0.00 C ATOM 916 C ARG A 54 9.403 -2.587 -7.135 1.00 0.00 C ATOM 917 O ARG A 54 9.947 -3.651 -7.441 1.00 0.00 O ATOM 918 CB ARG A 54 6.881 -2.624 -7.817 1.00 0.00 C ATOM 919 CG ARG A 54 6.929 -1.485 -8.861 1.00 0.00 C ATOM 920 CD ARG A 54 5.749 -1.472 -9.860 1.00 0.00 C ATOM 921 NE ARG A 54 5.648 -2.674 -10.730 1.00 0.00 N ATOM 922 CZ ARG A 54 6.320 -2.858 -11.884 1.00 0.00 C ATOM 923 NH1 ARG A 54 7.177 -1.977 -12.396 1.00 0.00 N ATOM 924 NH2 ARG A 54 6.117 -3.982 -12.546 1.00 0.00 N ATOM 0 H ARG A 54 6.745 -1.012 -5.858 1.00 0.00 H new ATOM 0 HA ARG A 54 7.857 -3.558 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.002 -3.568 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.883 -2.631 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.953 -0.530 -8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.861 -1.564 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.820 -1.368 -9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.839 -0.590 -10.494 1.00 0.00 H new ATOM 0 HE ARG A 54 5.020 -3.419 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.358 -1.099 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.653 -2.180 -13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.468 -4.679 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.609 -4.154 -13.423 1.00 0.00 H new