USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 18 GLN : amide:sc= -0.681 X(o=-0.68,f=-0.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -137:sc= -2.07! USER MOD Single : A 28 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.3) USER MOD Single : A 29 ASN : amide:sc= -1.73 K(o=-1.7,f=-4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.206 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0.23 (180deg=0.229) USER MOD Single : A 46 MET CE :methyl -176:sc= 0 (180deg=-0.0193) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 53 SER OG : rot 84:sc= 0.54 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -156:sc=-0.00747 (180deg=-0.504) USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.083) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.499 4.622 1.904 1.00 0.00 N ATOM 175 CA ARG A 14 -7.430 3.215 2.280 1.00 0.00 C ATOM 176 C ARG A 14 -8.226 2.953 3.555 1.00 0.00 C ATOM 177 O ARG A 14 -8.717 3.883 4.194 1.00 0.00 O ATOM 178 CB ARG A 14 -5.975 2.789 2.477 1.00 0.00 C ATOM 179 CG ARG A 14 -5.181 2.713 1.183 1.00 0.00 C ATOM 180 CD ARG A 14 -5.424 1.400 0.457 1.00 0.00 C ATOM 181 NE ARG A 14 -6.578 1.472 -0.435 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.563 2.096 -1.607 1.00 0.00 C ATOM 183 NH1 ARG A 14 -5.460 2.699 -2.027 1.00 0.00 N ATOM 184 NH2 ARG A 14 -7.654 2.119 -2.362 1.00 0.00 N ATOM 0 HA ARG A 14 -7.867 2.627 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.488 3.493 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.954 1.814 2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.458 3.545 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.118 2.819 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.537 1.135 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.579 0.606 1.187 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.443 1.018 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.619 2.685 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.452 3.177 -2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.505 1.657 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.641 2.599 -3.262 1.00 0.00 H new ATOM 198 N ALA A 15 -8.349 1.681 3.919 1.00 0.00 N ATOM 199 CA ALA A 15 -9.084 1.297 5.118 1.00 0.00 C ATOM 200 C ALA A 15 -8.164 1.250 6.333 1.00 0.00 C ATOM 201 O ALA A 15 -6.940 1.193 6.214 1.00 0.00 O ATOM 202 CB ALA A 15 -9.760 -0.051 4.914 1.00 0.00 C ATOM 0 H ALA A 15 -7.949 0.899 3.401 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.849 2.051 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.305 -0.325 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.455 0.013 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.005 -0.808 4.702 1.00 0.00 H new ATOM 208 N PRO A 16 -8.765 1.276 7.532 1.00 0.00 N ATOM 209 CA PRO A 16 -8.018 1.238 8.793 1.00 0.00 C ATOM 210 C PRO A 16 -7.366 -0.118 9.040 1.00 0.00 C ATOM 211 O PRO A 16 -6.450 -0.237 9.852 1.00 0.00 O ATOM 212 CB PRO A 16 -9.090 1.516 9.849 1.00 0.00 C ATOM 213 CG PRO A 16 -10.365 1.070 9.221 1.00 0.00 C ATOM 214 CD PRO A 16 -10.220 1.344 7.749 1.00 0.00 C ATOM 0 HA PRO A 16 -7.196 1.954 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.890 0.969 10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.125 2.574 10.108 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.541 0.010 9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.215 1.611 9.637 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.751 0.605 7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.621 2.321 7.481 1.00 0.00 H new ATOM 222 N GLU A 17 -7.845 -1.137 8.333 1.00 0.00 N ATOM 223 CA GLU A 17 -7.308 -2.485 8.477 1.00 0.00 C ATOM 224 C GLU A 17 -6.138 -2.710 7.523 1.00 0.00 C ATOM 225 O GLU A 17 -5.125 -3.299 7.896 1.00 0.00 O ATOM 226 CB GLU A 17 -8.400 -3.524 8.216 1.00 0.00 C ATOM 227 CG GLU A 17 -9.565 -3.440 9.187 1.00 0.00 C ATOM 228 CD GLU A 17 -10.361 -4.729 9.258 1.00 0.00 C ATOM 229 OE1 GLU A 17 -10.474 -5.413 8.219 1.00 0.00 O ATOM 230 OE2 GLU A 17 -10.870 -5.054 10.351 1.00 0.00 O ATOM 0 H GLU A 17 -8.603 -1.055 7.656 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.947 -2.597 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.775 -3.397 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.962 -4.521 8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.188 -3.195 10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.225 -2.626 8.887 1.00 0.00 H new ATOM 237 N GLN A 18 -6.289 -2.236 6.290 1.00 0.00 N ATOM 238 CA GLN A 18 -5.246 -2.386 5.282 1.00 0.00 C ATOM 239 C GLN A 18 -4.025 -1.542 5.632 1.00 0.00 C ATOM 240 O GLN A 18 -2.896 -2.035 5.631 1.00 0.00 O ATOM 241 CB GLN A 18 -5.778 -1.987 3.904 1.00 0.00 C ATOM 242 CG GLN A 18 -7.046 -2.725 3.505 1.00 0.00 C ATOM 243 CD GLN A 18 -7.588 -2.271 2.164 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.736 -1.840 2.059 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.761 -2.366 1.128 1.00 0.00 N ATOM 0 H GLN A 18 -7.122 -1.746 5.966 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.946 -3.434 5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.974 -0.915 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.007 -2.176 3.157 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.842 -3.795 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.807 -2.573 4.271 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.817 -2.729 1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.070 -2.076 0.200 1.00 0.00 H new ATOM 254 N LEU A 19 -4.258 -0.269 5.930 1.00 0.00 N ATOM 255 CA LEU A 19 -3.176 0.645 6.282 1.00 0.00 C ATOM 256 C LEU A 19 -2.307 0.058 7.390 1.00 0.00 C ATOM 257 O LEU A 19 -1.085 -0.019 7.258 1.00 0.00 O ATOM 258 CB LEU A 19 -3.745 1.994 6.725 1.00 0.00 C ATOM 259 CG LEU A 19 -4.067 2.986 5.608 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.657 4.265 6.182 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.820 3.292 4.790 1.00 0.00 C ATOM 0 H LEU A 19 -5.186 0.154 5.935 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.556 0.792 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.656 1.812 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.032 2.461 7.404 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.808 2.533 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.880 4.959 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.574 4.032 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.940 4.722 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.068 4.000 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.057 3.724 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.441 2.371 4.347 1.00 0.00 H new ATOM 273 N ARG A 20 -2.945 -0.356 8.480 1.00 0.00 N ATOM 274 CA ARG A 20 -2.230 -0.936 9.610 1.00 0.00 C ATOM 275 C ARG A 20 -1.138 -1.888 9.131 1.00 0.00 C ATOM 276 O ARG A 20 -0.058 -1.953 9.717 1.00 0.00 O ATOM 277 CB ARG A 20 -3.202 -1.680 10.528 1.00 0.00 C ATOM 278 CG ARG A 20 -2.522 -2.399 11.681 1.00 0.00 C ATOM 279 CD ARG A 20 -3.521 -2.800 12.755 1.00 0.00 C ATOM 280 NE ARG A 20 -4.126 -4.101 12.481 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.507 -5.258 12.689 1.00 0.00 C ATOM 282 NH1 ARG A 20 -2.272 -5.275 13.171 1.00 0.00 N ATOM 283 NH2 ARG A 20 -4.124 -6.400 12.416 1.00 0.00 N ATOM 0 H ARG A 20 -3.956 -0.300 8.604 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.763 -0.124 10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.925 -0.970 10.930 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.762 -2.406 9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.012 -3.287 11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.759 -1.752 12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.021 -2.830 13.723 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.303 -2.044 12.823 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.076 -4.122 12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.795 -4.399 13.383 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.799 -6.164 13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.074 -6.390 12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.648 -7.288 12.576 1.00 0.00 H new ATOM 297 N ALA A 21 -1.427 -2.624 8.063 1.00 0.00 N ATOM 298 CA ALA A 21 -0.470 -3.570 7.505 1.00 0.00 C ATOM 299 C ALA A 21 0.530 -2.866 6.594 1.00 0.00 C ATOM 300 O ALA A 21 1.736 -3.107 6.675 1.00 0.00 O ATOM 301 CB ALA A 21 -1.196 -4.669 6.744 1.00 0.00 C ATOM 0 H ALA A 21 -2.317 -2.583 7.567 1.00 0.00 H new ATOM 0 HA ALA A 21 0.083 -4.019 8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.468 -5.368 6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.866 -5.199 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.775 -4.228 5.932 1.00 0.00 H new ATOM 307 N LEU A 22 0.024 -1.997 5.727 1.00 0.00 N ATOM 308 CA LEU A 22 0.873 -1.258 4.799 1.00 0.00 C ATOM 309 C LEU A 22 1.831 -0.339 5.551 1.00 0.00 C ATOM 310 O LEU A 22 3.049 -0.487 5.458 1.00 0.00 O ATOM 311 CB LEU A 22 0.015 -0.438 3.833 1.00 0.00 C ATOM 312 CG LEU A 22 -1.031 -1.219 3.037 1.00 0.00 C ATOM 313 CD1 LEU A 22 -2.134 -0.291 2.552 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.382 -1.937 1.863 1.00 0.00 C ATOM 0 H LEU A 22 -0.971 -1.786 5.647 1.00 0.00 H new ATOM 0 HA LEU A 22 1.461 -1.979 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.496 0.339 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.677 0.066 3.129 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.475 -1.967 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.870 -0.864 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.619 0.177 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.705 0.480 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.142 -2.487 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.090 -1.207 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.372 -2.632 2.233 1.00 0.00 H new ATOM 326 N GLU A 23 1.271 0.607 6.298 1.00 0.00 N ATOM 327 CA GLU A 23 2.076 1.548 7.068 1.00 0.00 C ATOM 328 C GLU A 23 3.167 0.820 7.847 1.00 0.00 C ATOM 329 O GLU A 23 4.348 1.151 7.738 1.00 0.00 O ATOM 330 CB GLU A 23 1.191 2.343 8.030 1.00 0.00 C ATOM 331 CG GLU A 23 0.184 3.241 7.331 1.00 0.00 C ATOM 332 CD GLU A 23 -0.451 4.248 8.270 1.00 0.00 C ATOM 333 OE1 GLU A 23 -1.035 3.824 9.288 1.00 0.00 O ATOM 334 OE2 GLU A 23 -0.362 5.461 7.986 1.00 0.00 O ATOM 0 H GLU A 23 0.264 0.742 6.386 1.00 0.00 H new ATOM 0 HA GLU A 23 2.551 2.237 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.657 1.648 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.825 2.954 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.679 3.771 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.596 2.626 6.883 1.00 0.00 H new ATOM 341 N SER A 24 2.763 -0.172 8.633 1.00 0.00 N ATOM 342 CA SER A 24 3.706 -0.945 9.434 1.00 0.00 C ATOM 343 C SER A 24 4.855 -1.461 8.574 1.00 0.00 C ATOM 344 O SER A 24 6.019 -1.396 8.969 1.00 0.00 O ATOM 345 CB SER A 24 2.992 -2.118 10.109 1.00 0.00 C ATOM 346 OG SER A 24 3.878 -2.840 10.946 1.00 0.00 O ATOM 0 H SER A 24 1.790 -0.460 8.733 1.00 0.00 H new ATOM 0 HA SER A 24 4.117 -0.288 10.201 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.152 -1.747 10.697 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.581 -2.783 9.350 1.00 0.00 H new ATOM 0 HG SER A 24 3.398 -3.583 11.367 1.00 0.00 H new ATOM 352 N SER A 25 4.519 -1.974 7.394 1.00 0.00 N ATOM 353 CA SER A 25 5.521 -2.505 6.478 1.00 0.00 C ATOM 354 C SER A 25 6.434 -1.394 5.968 1.00 0.00 C ATOM 355 O SER A 25 7.652 -1.558 5.898 1.00 0.00 O ATOM 356 CB SER A 25 4.845 -3.207 5.299 1.00 0.00 C ATOM 357 OG SER A 25 5.802 -3.659 4.357 1.00 0.00 O ATOM 0 H SER A 25 3.560 -2.033 7.050 1.00 0.00 H new ATOM 0 HA SER A 25 6.128 -3.229 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.260 -4.052 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.149 -2.522 4.815 1.00 0.00 H new ATOM 0 HG SER A 25 5.486 -3.464 3.450 1.00 0.00 H new ATOM 363 N PHE A 26 5.835 -0.263 5.612 1.00 0.00 N ATOM 364 CA PHE A 26 6.592 0.877 5.106 1.00 0.00 C ATOM 365 C PHE A 26 7.804 1.159 5.989 1.00 0.00 C ATOM 366 O PHE A 26 8.915 1.348 5.495 1.00 0.00 O ATOM 367 CB PHE A 26 5.700 2.117 5.033 1.00 0.00 C ATOM 368 CG PHE A 26 6.349 3.283 4.343 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.866 3.148 3.065 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.443 4.513 4.973 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.464 4.219 2.428 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.040 5.588 4.342 1.00 0.00 C ATOM 373 CZ PHE A 26 7.550 5.441 3.067 1.00 0.00 C ATOM 0 H PHE A 26 4.828 -0.111 5.664 1.00 0.00 H new ATOM 0 HA PHE A 26 6.943 0.632 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.779 1.862 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.420 2.413 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.801 2.195 2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.045 4.634 5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.864 4.101 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.108 6.541 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.015 6.280 2.570 1.00 0.00 H new ATOM 383 N ALA A 27 7.580 1.188 7.299 1.00 0.00 N ATOM 384 CA ALA A 27 8.653 1.446 8.252 1.00 0.00 C ATOM 385 C ALA A 27 9.896 0.631 7.913 1.00 0.00 C ATOM 386 O ALA A 27 11.012 1.149 7.931 1.00 0.00 O ATOM 387 CB ALA A 27 8.186 1.139 9.667 1.00 0.00 C ATOM 0 H ALA A 27 6.665 1.036 7.724 1.00 0.00 H new ATOM 0 HA ALA A 27 8.916 2.502 8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.997 1.336 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.332 1.770 9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.894 0.091 9.735 1.00 0.00 H new ATOM 393 N GLN A 28 9.695 -0.647 7.607 1.00 0.00 N ATOM 394 CA GLN A 28 10.801 -1.533 7.266 1.00 0.00 C ATOM 395 C GLN A 28 11.431 -1.131 5.936 1.00 0.00 C ATOM 396 O GLN A 28 12.640 -0.927 5.848 1.00 0.00 O ATOM 397 CB GLN A 28 10.318 -2.983 7.197 1.00 0.00 C ATOM 398 CG GLN A 28 9.840 -3.529 8.533 1.00 0.00 C ATOM 399 CD GLN A 28 10.905 -3.452 9.609 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.101 -3.459 9.316 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.476 -3.380 10.864 1.00 0.00 N ATOM 0 H GLN A 28 8.777 -1.091 7.588 1.00 0.00 H new ATOM 0 HA GLN A 28 11.557 -1.446 8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.505 -3.053 6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.129 -3.610 6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.961 -2.971 8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.530 -4.566 8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.475 -3.377 11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.147 -3.328 11.630 1.00 0.00 H new ATOM 410 N ASN A 29 10.601 -1.021 4.903 1.00 0.00 N ATOM 411 CA ASN A 29 11.077 -0.644 3.577 1.00 0.00 C ATOM 412 C ASN A 29 9.982 0.065 2.787 1.00 0.00 C ATOM 413 O ASN A 29 8.802 -0.276 2.871 1.00 0.00 O ATOM 414 CB ASN A 29 11.553 -1.881 2.813 1.00 0.00 C ATOM 415 CG ASN A 29 10.509 -2.980 2.784 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.385 -2.796 3.252 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.875 -4.130 2.231 1.00 0.00 N ATOM 0 H ASN A 29 9.596 -1.188 4.959 1.00 0.00 H new ATOM 0 HA ASN A 29 11.914 0.043 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.807 -1.598 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.464 -2.261 3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.214 -4.905 2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.817 -4.238 1.856 1.00 0.00 H new ATOM 424 N PRO A 30 10.380 1.076 2.000 1.00 0.00 N ATOM 425 CA PRO A 30 9.448 1.854 1.179 1.00 0.00 C ATOM 426 C PRO A 30 8.883 1.043 0.017 1.00 0.00 C ATOM 427 O PRO A 30 7.717 1.194 -0.350 1.00 0.00 O ATOM 428 CB PRO A 30 10.311 3.005 0.657 1.00 0.00 C ATOM 429 CG PRO A 30 11.703 2.475 0.679 1.00 0.00 C ATOM 430 CD PRO A 30 11.770 1.537 1.852 1.00 0.00 C ATOM 0 HA PRO A 30 8.578 2.180 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.014 3.297 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.214 3.890 1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.938 1.955 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.427 3.283 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.451 0.707 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.124 2.042 2.751 1.00 0.00 H new ATOM 438 N LEU A 31 9.716 0.181 -0.557 1.00 0.00 N ATOM 439 CA LEU A 31 9.299 -0.655 -1.677 1.00 0.00 C ATOM 440 C LEU A 31 9.675 -2.114 -1.437 1.00 0.00 C ATOM 441 O LEU A 31 10.712 -2.595 -1.892 1.00 0.00 O ATOM 442 CB LEU A 31 9.938 -0.158 -2.975 1.00 0.00 C ATOM 443 CG LEU A 31 9.350 1.124 -3.565 1.00 0.00 C ATOM 444 CD1 LEU A 31 9.985 1.433 -4.911 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.839 1.005 -3.700 1.00 0.00 C ATOM 0 H LEU A 31 10.684 0.043 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 31 8.215 -0.589 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.001 0.003 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.858 -0.948 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 31 9.570 1.948 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.554 2.349 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.060 1.563 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.797 0.609 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.438 1.927 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.597 0.170 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.398 0.833 -2.718 1.00 0.00 H new ATOM 457 N PRO A 32 8.812 -2.835 -0.707 1.00 0.00 N ATOM 458 CA PRO A 32 9.030 -4.250 -0.393 1.00 0.00 C ATOM 459 C PRO A 32 8.892 -5.145 -1.620 1.00 0.00 C ATOM 460 O PRO A 32 8.105 -4.860 -2.523 1.00 0.00 O ATOM 461 CB PRO A 32 7.929 -4.562 0.623 1.00 0.00 C ATOM 462 CG PRO A 32 6.854 -3.572 0.333 1.00 0.00 C ATOM 463 CD PRO A 32 7.555 -2.326 -0.133 1.00 0.00 C ATOM 0 HA PRO A 32 10.038 -4.434 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.566 -5.584 0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.294 -4.462 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.174 -3.947 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.255 -3.374 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.965 -1.786 -0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.740 -1.637 0.691 1.00 0.00 H new ATOM 471 N LEU A 33 9.662 -6.227 -1.647 1.00 0.00 N ATOM 472 CA LEU A 33 9.625 -7.165 -2.764 1.00 0.00 C ATOM 473 C LEU A 33 8.368 -8.028 -2.709 1.00 0.00 C ATOM 474 O LEU A 33 7.505 -7.831 -1.854 1.00 0.00 O ATOM 475 CB LEU A 33 10.869 -8.054 -2.750 1.00 0.00 C ATOM 476 CG LEU A 33 12.204 -7.345 -2.981 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.364 -8.292 -2.717 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.276 -6.793 -4.398 1.00 0.00 C ATOM 0 H LEU A 33 10.320 -6.477 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 33 9.608 -6.589 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.914 -8.566 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.751 -8.822 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 33 12.276 -6.511 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.306 -7.770 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.322 -8.639 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.297 -9.146 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.233 -6.292 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.181 -7.611 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.466 -6.081 -4.553 1.00 0.00 H new ATOM 490 N ASP A 34 8.274 -8.985 -3.625 1.00 0.00 N ATOM 491 CA ASP A 34 7.125 -9.881 -3.679 1.00 0.00 C ATOM 492 C ASP A 34 7.052 -10.748 -2.426 1.00 0.00 C ATOM 493 O ASP A 34 5.965 -11.080 -1.953 1.00 0.00 O ATOM 494 CB ASP A 34 7.200 -10.768 -4.923 1.00 0.00 C ATOM 495 CG ASP A 34 6.514 -10.143 -6.122 1.00 0.00 C ATOM 496 OD1 ASP A 34 6.847 -8.988 -6.461 1.00 0.00 O ATOM 497 OD2 ASP A 34 5.645 -10.809 -6.722 1.00 0.00 O ATOM 0 H ASP A 34 8.980 -9.160 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 34 6.223 -9.271 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.245 -10.961 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.740 -11.732 -4.707 1.00 0.00 H new ATOM 502 N GLU A 35 8.215 -11.110 -1.894 1.00 0.00 N ATOM 503 CA GLU A 35 8.281 -11.940 -0.697 1.00 0.00 C ATOM 504 C GLU A 35 7.667 -11.219 0.499 1.00 0.00 C ATOM 505 O GLU A 35 6.877 -11.796 1.246 1.00 0.00 O ATOM 506 CB GLU A 35 9.733 -12.315 -0.390 1.00 0.00 C ATOM 507 CG GLU A 35 10.660 -11.117 -0.274 1.00 0.00 C ATOM 508 CD GLU A 35 12.079 -11.511 0.087 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.252 -12.302 1.037 1.00 0.00 O ATOM 510 OE2 GLU A 35 13.017 -11.027 -0.581 1.00 0.00 O ATOM 0 H GLU A 35 9.123 -10.842 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 35 7.710 -12.849 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.764 -12.879 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.103 -12.975 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.667 -10.575 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.273 -10.434 0.482 1.00 0.00 H new ATOM 517 N GLU A 36 8.037 -9.954 0.674 1.00 0.00 N ATOM 518 CA GLU A 36 7.523 -9.155 1.781 1.00 0.00 C ATOM 519 C GLU A 36 6.074 -8.747 1.530 1.00 0.00 C ATOM 520 O GLU A 36 5.326 -8.464 2.467 1.00 0.00 O ATOM 521 CB GLU A 36 8.387 -7.908 1.983 1.00 0.00 C ATOM 522 CG GLU A 36 7.932 -7.033 3.138 1.00 0.00 C ATOM 523 CD GLU A 36 7.961 -7.761 4.468 1.00 0.00 C ATOM 524 OE1 GLU A 36 6.977 -8.464 4.781 1.00 0.00 O ATOM 525 OE2 GLU A 36 8.967 -7.628 5.196 1.00 0.00 O ATOM 0 H GLU A 36 8.690 -9.461 0.065 1.00 0.00 H new ATOM 0 HA GLU A 36 7.560 -9.765 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.419 -8.215 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.379 -7.318 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.572 -6.153 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.920 -6.679 2.944 1.00 0.00 H new ATOM 532 N LEU A 37 5.684 -8.719 0.261 1.00 0.00 N ATOM 533 CA LEU A 37 4.325 -8.346 -0.115 1.00 0.00 C ATOM 534 C LEU A 37 3.380 -9.537 0.008 1.00 0.00 C ATOM 535 O LEU A 37 2.217 -9.383 0.380 1.00 0.00 O ATOM 536 CB LEU A 37 4.300 -7.805 -1.545 1.00 0.00 C ATOM 537 CG LEU A 37 4.804 -6.374 -1.731 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.171 -6.121 -3.185 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.757 -5.374 -1.262 1.00 0.00 C ATOM 0 H LEU A 37 6.290 -8.950 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 37 3.987 -7.566 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.900 -8.464 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.276 -7.859 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 37 5.700 -6.244 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.528 -5.097 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.956 -6.814 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.293 -6.270 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.133 -4.361 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.843 -5.505 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.544 -5.539 -0.206 1.00 0.00 H new ATOM 551 N ASP A 38 3.888 -10.723 -0.306 1.00 0.00 N ATOM 552 CA ASP A 38 3.090 -11.942 -0.228 1.00 0.00 C ATOM 553 C ASP A 38 2.460 -12.091 1.153 1.00 0.00 C ATOM 554 O ASP A 38 1.354 -12.615 1.287 1.00 0.00 O ATOM 555 CB ASP A 38 3.955 -13.163 -0.543 1.00 0.00 C ATOM 556 CG ASP A 38 3.141 -14.439 -0.638 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.769 -14.985 0.421 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.878 -14.892 -1.772 1.00 0.00 O ATOM 0 H ASP A 38 4.849 -10.867 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 38 2.291 -11.873 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.481 -13.000 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.714 -13.276 0.231 1.00 0.00 H new ATOM 563 N ARG A 39 3.171 -11.628 2.175 1.00 0.00 N ATOM 564 CA ARG A 39 2.682 -11.713 3.546 1.00 0.00 C ATOM 565 C ARG A 39 1.635 -10.636 3.817 1.00 0.00 C ATOM 566 O ARG A 39 0.541 -10.928 4.302 1.00 0.00 O ATOM 567 CB ARG A 39 3.842 -11.570 4.534 1.00 0.00 C ATOM 568 CG ARG A 39 4.549 -12.882 4.836 1.00 0.00 C ATOM 569 CD ARG A 39 3.646 -13.839 5.598 1.00 0.00 C ATOM 570 NE ARG A 39 4.370 -15.014 6.073 1.00 0.00 N ATOM 571 CZ ARG A 39 3.775 -16.121 6.503 1.00 0.00 C ATOM 572 NH1 ARG A 39 2.451 -16.203 6.516 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.503 -17.149 6.920 1.00 0.00 N ATOM 0 H ARG A 39 4.087 -11.190 2.080 1.00 0.00 H new ATOM 0 HA ARG A 39 2.218 -12.690 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.566 -10.861 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.465 -11.147 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.869 -13.347 3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.448 -12.686 5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.202 -13.319 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.826 -14.155 4.953 1.00 0.00 H new ATOM 0 HE ARG A 39 5.390 -14.983 6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.888 -15.415 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.996 -17.054 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.521 -17.090 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.044 -17.998 7.250 1.00 0.00 H new ATOM 587 N LEU A 40 1.977 -9.392 3.502 1.00 0.00 N ATOM 588 CA LEU A 40 1.067 -8.272 3.711 1.00 0.00 C ATOM 589 C LEU A 40 -0.259 -8.506 2.995 1.00 0.00 C ATOM 590 O LEU A 40 -1.325 -8.182 3.519 1.00 0.00 O ATOM 591 CB LEU A 40 1.705 -6.972 3.217 1.00 0.00 C ATOM 592 CG LEU A 40 2.947 -6.503 3.975 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.748 -5.523 3.132 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.556 -5.872 5.303 1.00 0.00 C ATOM 0 H LEU A 40 2.878 -9.133 3.101 1.00 0.00 H new ATOM 0 HA LEU A 40 0.871 -8.190 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.970 -7.097 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.955 -6.182 3.264 1.00 0.00 H new ATOM 0 HG LEU A 40 3.573 -7.371 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.628 -5.200 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.060 -6.009 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.130 -4.657 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.453 -5.544 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.908 -5.014 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.026 -6.605 5.912 1.00 0.00 H new ATOM 606 N ARG A 41 -0.185 -9.072 1.795 1.00 0.00 N ATOM 607 CA ARG A 41 -1.379 -9.351 1.006 1.00 0.00 C ATOM 608 C ARG A 41 -2.439 -10.048 1.854 1.00 0.00 C ATOM 609 O ARG A 41 -3.634 -9.954 1.573 1.00 0.00 O ATOM 610 CB ARG A 41 -1.027 -10.218 -0.204 1.00 0.00 C ATOM 611 CG ARG A 41 -0.653 -9.416 -1.439 1.00 0.00 C ATOM 612 CD ARG A 41 -0.873 -10.218 -2.712 1.00 0.00 C ATOM 613 NE ARG A 41 -2.223 -10.771 -2.784 1.00 0.00 N ATOM 614 CZ ARG A 41 -2.604 -11.667 -3.688 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.740 -12.110 -4.591 1.00 0.00 N ATOM 616 NH2 ARG A 41 -3.850 -12.122 -3.689 1.00 0.00 N ATOM 0 H ARG A 41 0.690 -9.347 1.348 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.784 -8.401 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.197 -10.873 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.876 -10.859 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.248 -8.503 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.392 -9.113 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.696 -9.580 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.146 -11.029 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.911 -10.452 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.781 -11.763 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.034 -12.798 -5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.517 -11.784 -2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.141 -12.810 -4.384 1.00 0.00 H new ATOM 630 N SER A 42 -1.993 -10.749 2.892 1.00 0.00 N ATOM 631 CA SER A 42 -2.903 -11.466 3.778 1.00 0.00 C ATOM 632 C SER A 42 -3.714 -10.492 4.627 1.00 0.00 C ATOM 633 O SER A 42 -4.922 -10.658 4.797 1.00 0.00 O ATOM 634 CB SER A 42 -2.121 -12.420 4.682 1.00 0.00 C ATOM 635 OG SER A 42 -1.523 -13.462 3.930 1.00 0.00 O ATOM 0 H SER A 42 -1.007 -10.836 3.140 1.00 0.00 H new ATOM 0 HA SER A 42 -3.592 -12.044 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.351 -11.867 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.789 -12.845 5.431 1.00 0.00 H new ATOM 0 HG SER A 42 -1.028 -14.057 4.531 1.00 0.00 H new ATOM 641 N GLU A 43 -3.041 -9.476 5.157 1.00 0.00 N ATOM 642 CA GLU A 43 -3.699 -8.476 5.990 1.00 0.00 C ATOM 643 C GLU A 43 -4.412 -7.436 5.130 1.00 0.00 C ATOM 644 O GLU A 43 -5.568 -7.093 5.380 1.00 0.00 O ATOM 645 CB GLU A 43 -2.680 -7.788 6.901 1.00 0.00 C ATOM 646 CG GLU A 43 -1.789 -8.757 7.659 1.00 0.00 C ATOM 647 CD GLU A 43 -1.305 -8.193 8.980 1.00 0.00 C ATOM 648 OE1 GLU A 43 -0.893 -7.015 9.008 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.338 -8.931 9.987 1.00 0.00 O ATOM 0 H GLU A 43 -2.041 -9.323 5.025 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.441 -8.984 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.055 -7.128 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.211 -7.160 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.337 -9.681 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.929 -9.013 7.041 1.00 0.00 H new ATOM 656 N THR A 44 -3.714 -6.937 4.114 1.00 0.00 N ATOM 657 CA THR A 44 -4.279 -5.936 3.218 1.00 0.00 C ATOM 658 C THR A 44 -5.322 -6.552 2.293 1.00 0.00 C ATOM 659 O THR A 44 -6.222 -5.864 1.810 1.00 0.00 O ATOM 660 CB THR A 44 -3.185 -5.265 2.365 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.435 -6.260 1.660 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.250 -4.440 3.236 1.00 0.00 C ATOM 0 H THR A 44 -2.757 -7.210 3.892 1.00 0.00 H new ATOM 0 HA THR A 44 -4.754 -5.182 3.846 1.00 0.00 H new ATOM 0 HB THR A 44 -3.669 -4.601 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.959 -6.827 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.486 -3.976 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.820 -3.665 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.773 -5.087 3.972 1.00 0.00 H new ATOM 670 N LYS A 45 -5.198 -7.852 2.051 1.00 0.00 N ATOM 671 CA LYS A 45 -6.132 -8.562 1.186 1.00 0.00 C ATOM 672 C LYS A 45 -6.150 -7.952 -0.212 1.00 0.00 C ATOM 673 O LYS A 45 -7.167 -7.993 -0.904 1.00 0.00 O ATOM 674 CB LYS A 45 -7.539 -8.532 1.785 1.00 0.00 C ATOM 675 CG LYS A 45 -7.830 -9.697 2.716 1.00 0.00 C ATOM 676 CD LYS A 45 -7.424 -9.383 4.146 1.00 0.00 C ATOM 677 CE LYS A 45 -8.495 -8.579 4.866 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.175 -8.393 6.308 1.00 0.00 N ATOM 0 H LYS A 45 -4.459 -8.436 2.442 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.800 -9.597 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.672 -7.599 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.269 -8.534 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.893 -9.934 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.295 -10.582 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.241 -10.312 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.488 -8.825 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.599 -7.605 4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.455 -9.086 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.912 -7.812 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.134 -9.320 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.255 -7.917 6.401 1.00 0.00 H new ATOM 692 N MET A 46 -5.018 -7.389 -0.622 1.00 0.00 N ATOM 693 CA MET A 46 -4.904 -6.773 -1.939 1.00 0.00 C ATOM 694 C MET A 46 -3.873 -7.503 -2.793 1.00 0.00 C ATOM 695 O MET A 46 -3.286 -8.496 -2.363 1.00 0.00 O ATOM 696 CB MET A 46 -4.520 -5.298 -1.804 1.00 0.00 C ATOM 697 CG MET A 46 -5.567 -4.460 -1.089 1.00 0.00 C ATOM 698 SD MET A 46 -5.564 -2.738 -1.626 1.00 0.00 S ATOM 699 CE MET A 46 -3.937 -2.219 -1.086 1.00 0.00 C ATOM 0 H MET A 46 -4.167 -7.347 -0.061 1.00 0.00 H new ATOM 0 HA MET A 46 -5.874 -6.845 -2.432 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.577 -5.225 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.351 -4.883 -2.798 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.553 -4.890 -1.265 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.388 -4.502 -0.015 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.811 -1.154 -1.283 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.832 -2.405 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.177 -2.781 -1.629 1.00 0.00 H new ATOM 709 N THR A 47 -3.657 -7.005 -4.007 1.00 0.00 N ATOM 710 CA THR A 47 -2.699 -7.611 -4.922 1.00 0.00 C ATOM 711 C THR A 47 -1.389 -6.831 -4.943 1.00 0.00 C ATOM 712 O THR A 47 -1.330 -5.688 -4.488 1.00 0.00 O ATOM 713 CB THR A 47 -3.260 -7.688 -6.354 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.981 -6.489 -6.662 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.176 -8.892 -6.513 1.00 0.00 C ATOM 0 H THR A 47 -4.133 -6.183 -4.379 1.00 0.00 H new ATOM 0 HA THR A 47 -2.512 -8.621 -4.559 1.00 0.00 H new ATOM 0 HB THR A 47 -2.423 -7.796 -7.044 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.334 -6.545 -7.575 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.560 -8.925 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.617 -9.804 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.009 -8.810 -5.814 1.00 0.00 H new ATOM 723 N ARG A 48 -0.343 -7.454 -5.474 1.00 0.00 N ATOM 724 CA ARG A 48 0.966 -6.817 -5.554 1.00 0.00 C ATOM 725 C ARG A 48 0.871 -5.464 -6.253 1.00 0.00 C ATOM 726 O ARG A 48 1.451 -4.477 -5.800 1.00 0.00 O ATOM 727 CB ARG A 48 1.952 -7.719 -6.298 1.00 0.00 C ATOM 728 CG ARG A 48 2.710 -8.673 -5.389 1.00 0.00 C ATOM 729 CD ARG A 48 1.771 -9.414 -4.451 1.00 0.00 C ATOM 730 NE ARG A 48 1.115 -10.540 -5.111 1.00 0.00 N ATOM 731 CZ ARG A 48 1.713 -11.702 -5.348 1.00 0.00 C ATOM 732 NH1 ARG A 48 2.973 -11.890 -4.982 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.050 -12.680 -5.954 1.00 0.00 N ATOM 0 H ARG A 48 -0.376 -8.399 -5.855 1.00 0.00 H new ATOM 0 HA ARG A 48 1.326 -6.657 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.409 -8.297 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.668 -7.096 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.263 -9.391 -5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.443 -8.116 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.331 -9.775 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.016 -8.724 -4.075 1.00 0.00 H new ATOM 0 HE ARG A 48 0.145 -10.428 -5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.486 -11.141 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.429 -12.784 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.080 -12.539 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.510 -13.572 -6.136 1.00 0.00 H new ATOM 747 N ARG A 49 0.136 -5.427 -7.360 1.00 0.00 N ATOM 748 CA ARG A 49 -0.033 -4.196 -8.123 1.00 0.00 C ATOM 749 C ARG A 49 -0.796 -3.154 -7.311 1.00 0.00 C ATOM 750 O ARG A 49 -0.466 -1.969 -7.339 1.00 0.00 O ATOM 751 CB ARG A 49 -0.773 -4.480 -9.432 1.00 0.00 C ATOM 752 CG ARG A 49 -2.096 -5.202 -9.239 1.00 0.00 C ATOM 753 CD ARG A 49 -2.800 -5.439 -10.566 1.00 0.00 C ATOM 754 NE ARG A 49 -3.622 -6.645 -10.542 1.00 0.00 N ATOM 755 CZ ARG A 49 -4.310 -7.087 -11.589 1.00 0.00 C ATOM 756 NH1 ARG A 49 -4.274 -6.425 -12.737 1.00 0.00 N ATOM 757 NH2 ARG A 49 -5.036 -8.194 -11.489 1.00 0.00 N ATOM 0 H ARG A 49 -0.351 -6.235 -7.748 1.00 0.00 H new ATOM 0 HA ARG A 49 0.957 -3.800 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.955 -3.538 -9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.133 -5.079 -10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.922 -6.157 -8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.740 -4.615 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.426 -4.579 -10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.058 -5.522 -11.360 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.671 -7.178 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.717 -5.574 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.803 -6.766 -13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.066 -8.706 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.564 -8.532 -12.294 1.00 0.00 H new ATOM 771 N GLU A 50 -1.818 -3.604 -6.590 1.00 0.00 N ATOM 772 CA GLU A 50 -2.629 -2.710 -5.772 1.00 0.00 C ATOM 773 C GLU A 50 -1.800 -2.105 -4.643 1.00 0.00 C ATOM 774 O GLU A 50 -1.796 -0.890 -4.444 1.00 0.00 O ATOM 775 CB GLU A 50 -3.829 -3.460 -5.193 1.00 0.00 C ATOM 776 CG GLU A 50 -5.006 -3.557 -6.149 1.00 0.00 C ATOM 777 CD GLU A 50 -6.299 -3.927 -5.448 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.845 -3.070 -4.722 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.764 -5.072 -5.625 1.00 0.00 O ATOM 0 H GLU A 50 -2.104 -4.582 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.989 -1.902 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.517 -4.466 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.153 -2.960 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.134 -2.602 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.787 -4.301 -6.915 1.00 0.00 H new ATOM 786 N ILE A 51 -1.099 -2.961 -3.907 1.00 0.00 N ATOM 787 CA ILE A 51 -0.267 -2.512 -2.798 1.00 0.00 C ATOM 788 C ILE A 51 0.904 -1.671 -3.296 1.00 0.00 C ATOM 789 O ILE A 51 1.093 -0.533 -2.865 1.00 0.00 O ATOM 790 CB ILE A 51 0.279 -3.701 -1.985 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.873 -4.572 -1.480 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.124 -3.204 -0.822 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.426 -5.915 -0.947 1.00 0.00 C ATOM 0 H ILE A 51 -1.091 -3.970 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.902 -1.903 -2.154 1.00 0.00 H new ATOM 0 HB ILE A 51 0.911 -4.307 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.405 -4.037 -0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.582 -4.730 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.503 -4.056 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.962 -2.621 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.514 -2.579 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.295 -6.479 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.080 -6.470 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.259 -5.766 -0.113 1.00 0.00 H new ATOM 805 N ASP A 52 1.687 -2.238 -4.207 1.00 0.00 N ATOM 806 CA ASP A 52 2.839 -1.540 -4.767 1.00 0.00 C ATOM 807 C ASP A 52 2.500 -0.083 -5.063 1.00 0.00 C ATOM 808 O ASP A 52 3.210 0.828 -4.638 1.00 0.00 O ATOM 809 CB ASP A 52 3.313 -2.236 -6.043 1.00 0.00 C ATOM 810 CG ASP A 52 4.712 -1.815 -6.447 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.521 -1.504 -5.548 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.999 -1.798 -7.662 1.00 0.00 O ATOM 0 H ASP A 52 1.545 -3.179 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 52 3.642 -1.565 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.290 -3.316 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.621 -2.011 -6.854 1.00 0.00 H new ATOM 817 N SER A 53 1.411 0.129 -5.794 1.00 0.00 N ATOM 818 CA SER A 53 0.980 1.476 -6.152 1.00 0.00 C ATOM 819 C SER A 53 0.881 2.361 -4.913 1.00 0.00 C ATOM 820 O SER A 53 1.422 3.466 -4.881 1.00 0.00 O ATOM 821 CB SER A 53 -0.370 1.429 -6.869 1.00 0.00 C ATOM 822 OG SER A 53 -0.244 0.851 -8.156 1.00 0.00 O ATOM 0 H SER A 53 0.810 -0.614 -6.150 1.00 0.00 H new ATOM 0 HA SER A 53 1.725 1.903 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.080 0.853 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.773 2.438 -6.958 1.00 0.00 H new ATOM 0 HG SER A 53 -0.278 -0.126 -8.081 1.00 0.00 H new ATOM 828 N TRP A 54 0.185 1.867 -3.895 1.00 0.00 N ATOM 829 CA TRP A 54 0.013 2.612 -2.654 1.00 0.00 C ATOM 830 C TRP A 54 1.336 3.216 -2.194 1.00 0.00 C ATOM 831 O TRP A 54 1.451 4.431 -2.032 1.00 0.00 O ATOM 832 CB TRP A 54 -0.552 1.702 -1.562 1.00 0.00 C ATOM 833 CG TRP A 54 -0.703 2.386 -0.237 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.803 3.053 0.221 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.281 2.471 0.800 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.562 3.548 1.480 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.292 3.204 1.858 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.589 1.998 0.938 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.400 3.474 3.036 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.274 2.268 2.108 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.679 2.999 3.144 1.00 0.00 C ATOM 0 H TRP A 54 -0.269 0.954 -3.905 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.691 3.423 -2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.524 1.325 -1.881 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.103 0.838 -1.444 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.726 3.174 -0.326 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.223 4.085 2.042 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.056 1.432 0.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.056 4.038 3.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.286 1.909 2.225 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.241 3.192 4.046 1.00 0.00 H new ATOM 852 N PHE A 55 2.331 2.361 -1.986 1.00 0.00 N ATOM 853 CA PHE A 55 3.646 2.811 -1.544 1.00 0.00 C ATOM 854 C PHE A 55 4.163 3.937 -2.435 1.00 0.00 C ATOM 855 O PHE A 55 4.328 5.072 -1.987 1.00 0.00 O ATOM 856 CB PHE A 55 4.637 1.645 -1.550 1.00 0.00 C ATOM 857 CG PHE A 55 4.470 0.710 -0.387 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.089 0.973 0.825 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.694 -0.432 -0.504 1.00 0.00 C ATOM 860 CE1 PHE A 55 4.937 0.115 1.898 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.538 -1.293 0.565 1.00 0.00 C ATOM 862 CZ PHE A 55 4.161 -1.020 1.767 1.00 0.00 C ATOM 0 H PHE A 55 2.252 1.352 -2.116 1.00 0.00 H new ATOM 0 HA PHE A 55 3.549 3.191 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.519 1.084 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.652 2.042 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.697 1.859 0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.205 -0.652 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.424 0.332 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.929 -2.179 0.461 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.042 -1.693 2.603 1.00 0.00 H new ATOM 872 N SER A 56 4.418 3.614 -3.699 1.00 0.00 N ATOM 873 CA SER A 56 4.920 4.596 -4.652 1.00 0.00 C ATOM 874 C SER A 56 4.167 5.917 -4.520 1.00 0.00 C ATOM 875 O SER A 56 4.694 6.979 -4.847 1.00 0.00 O ATOM 876 CB SER A 56 4.792 4.064 -6.081 1.00 0.00 C ATOM 877 OG SER A 56 5.699 4.717 -6.952 1.00 0.00 O ATOM 0 H SER A 56 4.285 2.680 -4.086 1.00 0.00 H new ATOM 0 HA SER A 56 5.972 4.774 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.982 2.991 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.772 4.210 -6.437 1.00 0.00 H new ATOM 0 HG SER A 56 5.598 4.358 -7.858 1.00 0.00 H new ATOM 883 N GLU A 57 2.931 5.840 -4.037 1.00 0.00 N ATOM 884 CA GLU A 57 2.104 7.028 -3.863 1.00 0.00 C ATOM 885 C GLU A 57 2.207 7.557 -2.435 1.00 0.00 C ATOM 886 O GLU A 57 2.008 8.746 -2.186 1.00 0.00 O ATOM 887 CB GLU A 57 0.645 6.716 -4.198 1.00 0.00 C ATOM 888 CG GLU A 57 0.300 6.918 -5.664 1.00 0.00 C ATOM 889 CD GLU A 57 -1.168 7.226 -5.882 1.00 0.00 C ATOM 890 OE1 GLU A 57 -2.017 6.476 -5.357 1.00 0.00 O ATOM 891 OE2 GLU A 57 -1.469 8.219 -6.578 1.00 0.00 O ATOM 0 H GLU A 57 2.481 4.968 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 57 2.469 7.796 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.431 5.684 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.002 7.349 -3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.902 7.733 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.566 6.021 -6.223 1.00 0.00 H new ATOM 898 N ARG A 58 2.519 6.665 -1.501 1.00 0.00 N ATOM 899 CA ARG A 58 2.647 7.040 -0.098 1.00 0.00 C ATOM 900 C ARG A 58 4.050 7.560 0.201 1.00 0.00 C ATOM 901 O ARG A 58 4.222 8.696 0.641 1.00 0.00 O ATOM 902 CB ARG A 58 2.332 5.845 0.803 1.00 0.00 C ATOM 903 CG ARG A 58 2.505 6.136 2.285 1.00 0.00 C ATOM 904 CD ARG A 58 1.690 7.346 2.714 1.00 0.00 C ATOM 905 NE ARG A 58 1.508 7.398 4.162 1.00 0.00 N ATOM 906 CZ ARG A 58 0.528 8.071 4.755 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.352 8.745 4.029 1.00 0.00 N ATOM 908 NH2 ARG A 58 0.428 8.069 6.078 1.00 0.00 N ATOM 0 H ARG A 58 2.688 5.677 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 58 1.932 7.837 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.306 5.525 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.979 5.012 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.200 5.266 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.559 6.310 2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.188 8.256 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.715 7.318 2.227 1.00 0.00 H new ATOM 0 HE ARG A 58 2.169 6.890 4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.278 8.748 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.103 9.261 4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.104 7.551 6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.324 8.586 6.533 1.00 0.00 H new ATOM 922 N ARG A 59 5.051 6.719 -0.042 1.00 0.00 N ATOM 923 CA ARG A 59 6.439 7.093 0.202 1.00 0.00 C ATOM 924 C ARG A 59 6.746 8.462 -0.396 1.00 0.00 C ATOM 925 O ARG A 59 7.418 9.286 0.225 1.00 0.00 O ATOM 926 CB ARG A 59 7.383 6.043 -0.388 1.00 0.00 C ATOM 927 CG ARG A 59 7.487 6.101 -1.903 1.00 0.00 C ATOM 928 CD ARG A 59 8.558 5.155 -2.424 1.00 0.00 C ATOM 929 NE ARG A 59 9.900 5.581 -2.036 1.00 0.00 N ATOM 930 CZ ARG A 59 11.008 5.142 -2.621 1.00 0.00 C ATOM 931 NH1 ARG A 59 10.935 4.269 -3.616 1.00 0.00 N ATOM 932 NH2 ARG A 59 12.193 5.576 -2.211 1.00 0.00 N ATOM 0 H ARG A 59 4.926 5.775 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 59 6.592 7.144 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.376 6.177 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.040 5.051 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.525 5.842 -2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.717 7.120 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.372 4.151 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.495 5.100 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 59 9.991 6.253 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.026 3.933 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.788 3.933 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.253 6.248 -1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.044 5.238 -2.661 1.00 0.00 H new ATOM 946 N LYS A 60 6.250 8.699 -1.605 1.00 0.00 N ATOM 947 CA LYS A 60 6.471 9.969 -2.288 1.00 0.00 C ATOM 948 C LYS A 60 5.779 11.110 -1.551 1.00 0.00 C ATOM 949 O LYS A 60 6.212 12.261 -1.619 1.00 0.00 O ATOM 950 CB LYS A 60 5.958 9.892 -3.728 1.00 0.00 C ATOM 951 CG LYS A 60 4.443 9.913 -3.836 1.00 0.00 C ATOM 952 CD LYS A 60 3.986 10.553 -5.136 1.00 0.00 C ATOM 953 CE LYS A 60 4.004 9.557 -6.285 1.00 0.00 C ATOM 954 NZ LYS A 60 5.368 9.399 -6.861 1.00 0.00 N ATOM 0 H LYS A 60 5.692 8.028 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 60 7.543 10.165 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.366 10.729 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.334 8.980 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.059 8.895 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.025 10.462 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.978 10.949 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.634 11.397 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.644 8.590 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.317 9.889 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.294 9.064 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.860 10.315 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.904 8.708 -6.299 1.00 0.00 H new ATOM 968 N LYS A 61 4.701 10.785 -0.844 1.00 0.00 N ATOM 969 CA LYS A 61 3.950 11.782 -0.091 1.00 0.00 C ATOM 970 C LYS A 61 4.769 12.306 1.085 1.00 0.00 C ATOM 971 O LYS A 61 4.734 13.497 1.396 1.00 0.00 O ATOM 972 CB LYS A 61 2.635 11.185 0.416 1.00 0.00 C ATOM 973 CG LYS A 61 1.525 12.208 0.578 1.00 0.00 C ATOM 974 CD LYS A 61 0.486 11.748 1.587 1.00 0.00 C ATOM 975 CE LYS A 61 -0.554 10.844 0.943 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.509 11.611 0.096 1.00 0.00 N ATOM 0 H LYS A 61 4.328 9.838 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 61 3.730 12.615 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.306 10.411 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.812 10.699 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.950 13.159 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.046 12.382 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.978 11.216 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.006 12.616 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.053 10.091 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.104 10.312 1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.321 11.008 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.841 12.447 0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.032 11.914 -0.777 1.00 0.00 H new