USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=9 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= -1.45 X(o=-1.5,f=-1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -111:sc= -3.27! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -2.01 K(o=-2,f=-4.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -60:sc= 0.138 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -177:sc= 0 (180deg=-0.00948) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 140:sc= -0.685 (180deg=-2.29!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.193 4.773 2.143 1.00 0.00 N ATOM 175 CA ARG A 14 -7.155 3.350 2.457 1.00 0.00 C ATOM 176 C ARG A 14 -7.931 3.054 3.736 1.00 0.00 C ATOM 177 O ARG A 14 -8.209 3.955 4.528 1.00 0.00 O ATOM 178 CB ARG A 14 -5.707 2.878 2.605 1.00 0.00 C ATOM 179 CG ARG A 14 -4.924 2.896 1.302 1.00 0.00 C ATOM 180 CD ARG A 14 -5.194 1.650 0.473 1.00 0.00 C ATOM 181 NE ARG A 14 -6.385 1.795 -0.359 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.455 2.606 -1.409 1.00 0.00 C ATOM 183 NH1 ARG A 14 -5.407 3.341 -1.753 1.00 0.00 N ATOM 184 NH2 ARG A 14 -7.574 2.682 -2.117 1.00 0.00 N ATOM 0 HA ARG A 14 -7.625 2.809 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.200 3.512 3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.703 1.865 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.193 3.782 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.858 2.967 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.332 1.442 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.316 0.793 1.135 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.209 1.243 -0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.545 3.285 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.463 3.963 -2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.382 2.117 -1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.626 3.305 -2.923 1.00 0.00 H new ATOM 198 N ALA A 15 -8.279 1.786 3.931 1.00 0.00 N ATOM 199 CA ALA A 15 -9.022 1.371 5.115 1.00 0.00 C ATOM 200 C ALA A 15 -8.112 1.299 6.337 1.00 0.00 C ATOM 201 O ALA A 15 -6.889 1.220 6.226 1.00 0.00 O ATOM 202 CB ALA A 15 -9.691 0.027 4.873 1.00 0.00 C ATOM 0 H ALA A 15 -8.058 1.029 3.284 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.791 2.118 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.242 -0.271 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.379 0.109 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.932 -0.722 4.649 1.00 0.00 H new ATOM 208 N PRO A 16 -8.721 1.328 7.532 1.00 0.00 N ATOM 209 CA PRO A 16 -7.985 1.268 8.797 1.00 0.00 C ATOM 210 C PRO A 16 -7.360 -0.102 9.039 1.00 0.00 C ATOM 211 O PRO A 16 -6.450 -0.244 9.855 1.00 0.00 O ATOM 212 CB PRO A 16 -9.060 1.558 9.848 1.00 0.00 C ATOM 213 CG PRO A 16 -10.338 1.141 9.207 1.00 0.00 C ATOM 214 CD PRO A 16 -10.176 1.422 7.738 1.00 0.00 C ATOM 0 HA PRO A 16 -7.151 1.969 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.877 1.000 10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.077 2.615 10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.536 0.084 9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.181 1.696 9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.716 0.698 7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.557 2.408 7.473 1.00 0.00 H new ATOM 222 N GLU A 17 -7.855 -1.108 8.325 1.00 0.00 N ATOM 223 CA GLU A 17 -7.345 -2.467 8.464 1.00 0.00 C ATOM 224 C GLU A 17 -6.160 -2.701 7.530 1.00 0.00 C ATOM 225 O GLU A 17 -5.129 -3.231 7.942 1.00 0.00 O ATOM 226 CB GLU A 17 -8.449 -3.483 8.168 1.00 0.00 C ATOM 227 CG GLU A 17 -9.672 -3.329 9.057 1.00 0.00 C ATOM 228 CD GLU A 17 -9.324 -3.331 10.533 1.00 0.00 C ATOM 229 OE1 GLU A 17 -9.126 -4.429 11.094 1.00 0.00 O ATOM 230 OE2 GLU A 17 -9.249 -2.235 11.127 1.00 0.00 O ATOM 0 H GLU A 17 -8.608 -1.008 7.645 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.008 -2.598 9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.753 -3.384 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.047 -4.489 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.182 -2.398 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.371 -4.140 8.851 1.00 0.00 H new ATOM 237 N GLN A 18 -6.318 -2.302 6.272 1.00 0.00 N ATOM 238 CA GLN A 18 -5.262 -2.469 5.281 1.00 0.00 C ATOM 239 C GLN A 18 -4.018 -1.678 5.671 1.00 0.00 C ATOM 240 O GLN A 18 -2.910 -2.217 5.699 1.00 0.00 O ATOM 241 CB GLN A 18 -5.753 -2.024 3.902 1.00 0.00 C ATOM 242 CG GLN A 18 -6.996 -2.761 3.431 1.00 0.00 C ATOM 243 CD GLN A 18 -7.586 -2.163 2.169 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.731 -1.710 2.160 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.806 -2.159 1.095 1.00 0.00 N ATOM 0 H GLN A 18 -7.166 -1.861 5.915 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.999 -3.526 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.963 -0.955 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.955 -2.174 3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.747 -3.807 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.746 -2.743 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.863 -2.545 1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.149 -1.770 0.217 1.00 0.00 H new ATOM 254 N LEU A 19 -4.207 -0.398 5.971 1.00 0.00 N ATOM 255 CA LEU A 19 -3.100 0.468 6.360 1.00 0.00 C ATOM 256 C LEU A 19 -2.269 -0.173 7.466 1.00 0.00 C ATOM 257 O LEU A 19 -1.056 -0.335 7.331 1.00 0.00 O ATOM 258 CB LEU A 19 -3.628 1.826 6.825 1.00 0.00 C ATOM 259 CG LEU A 19 -3.862 2.867 5.729 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.574 4.086 6.294 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.543 3.268 5.084 1.00 0.00 C ATOM 0 H LEU A 19 -5.117 0.063 5.952 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.461 0.612 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.568 1.666 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.923 2.240 7.546 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.498 2.423 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.732 4.816 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.537 3.786 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.964 4.532 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.729 4.009 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.883 3.693 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.072 2.390 4.643 1.00 0.00 H new ATOM 273 N ARG A 20 -2.930 -0.538 8.560 1.00 0.00 N ATOM 274 CA ARG A 20 -2.253 -1.164 9.689 1.00 0.00 C ATOM 275 C ARG A 20 -1.185 -2.142 9.209 1.00 0.00 C ATOM 276 O ARG A 20 -0.173 -2.348 9.878 1.00 0.00 O ATOM 277 CB ARG A 20 -3.263 -1.891 10.578 1.00 0.00 C ATOM 278 CG ARG A 20 -2.639 -2.548 11.798 1.00 0.00 C ATOM 279 CD ARG A 20 -3.699 -3.121 12.726 1.00 0.00 C ATOM 280 NE ARG A 20 -4.083 -4.478 12.347 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.319 -5.543 12.558 1.00 0.00 C ATOM 282 NH1 ARG A 20 -2.136 -5.410 13.141 1.00 0.00 N ATOM 283 NH2 ARG A 20 -3.738 -6.746 12.184 1.00 0.00 N ATOM 0 H ARG A 20 -3.934 -0.411 8.688 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.768 -0.379 10.269 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.022 -1.181 10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.773 -2.652 9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.965 -3.343 11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.037 -1.817 12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.322 -3.123 13.749 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.579 -2.478 12.712 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.987 -4.615 11.896 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.810 -4.487 13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.552 -6.230 13.302 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.647 -6.852 11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.151 -7.564 12.346 1.00 0.00 H new ATOM 297 N ALA A 21 -1.419 -2.741 8.046 1.00 0.00 N ATOM 298 CA ALA A 21 -0.476 -3.696 7.476 1.00 0.00 C ATOM 299 C ALA A 21 0.550 -2.994 6.593 1.00 0.00 C ATOM 300 O ALA A 21 1.733 -3.338 6.606 1.00 0.00 O ATOM 301 CB ALA A 21 -1.219 -4.760 6.682 1.00 0.00 C ATOM 0 H ALA A 21 -2.253 -2.582 7.480 1.00 0.00 H new ATOM 0 HA ALA A 21 0.058 -4.176 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.503 -5.467 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.908 -5.290 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.779 -4.287 5.875 1.00 0.00 H new ATOM 307 N LEU A 22 0.091 -2.011 5.828 1.00 0.00 N ATOM 308 CA LEU A 22 0.969 -1.261 4.937 1.00 0.00 C ATOM 309 C LEU A 22 1.884 -0.332 5.730 1.00 0.00 C ATOM 310 O LEU A 22 3.107 -0.414 5.625 1.00 0.00 O ATOM 311 CB LEU A 22 0.143 -0.450 3.937 1.00 0.00 C ATOM 312 CG LEU A 22 -0.804 -1.251 3.044 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.872 -0.345 2.451 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.028 -1.956 1.941 1.00 0.00 C ATOM 0 H LEU A 22 -0.885 -1.714 5.806 1.00 0.00 H new ATOM 0 HA LEU A 22 1.588 -1.974 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.444 0.282 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.828 0.108 3.298 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.296 -2.007 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.537 -0.933 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.448 0.114 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.398 0.434 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.718 -2.521 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.492 -1.216 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.699 -2.636 2.385 1.00 0.00 H new ATOM 326 N GLU A 23 1.281 0.548 6.523 1.00 0.00 N ATOM 327 CA GLU A 23 2.043 1.490 7.335 1.00 0.00 C ATOM 328 C GLU A 23 3.161 0.778 8.090 1.00 0.00 C ATOM 329 O GLU A 23 4.307 1.227 8.092 1.00 0.00 O ATOM 330 CB GLU A 23 1.121 2.207 8.323 1.00 0.00 C ATOM 331 CG GLU A 23 0.215 3.239 7.672 1.00 0.00 C ATOM 332 CD GLU A 23 0.894 4.583 7.495 1.00 0.00 C ATOM 333 OE1 GLU A 23 1.636 4.746 6.503 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.686 5.471 8.348 1.00 0.00 O ATOM 0 H GLU A 23 0.269 0.628 6.621 1.00 0.00 H new ATOM 0 HA GLU A 23 2.491 2.226 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.506 1.467 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.729 2.698 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.110 2.870 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.681 3.366 8.280 1.00 0.00 H new ATOM 341 N SER A 24 2.819 -0.334 8.733 1.00 0.00 N ATOM 342 CA SER A 24 3.792 -1.107 9.496 1.00 0.00 C ATOM 343 C SER A 24 4.905 -1.624 8.591 1.00 0.00 C ATOM 344 O SER A 24 6.040 -1.810 9.029 1.00 0.00 O ATOM 345 CB SER A 24 3.105 -2.279 10.200 1.00 0.00 C ATOM 346 OG SER A 24 3.961 -2.867 11.164 1.00 0.00 O ATOM 0 H SER A 24 1.875 -0.720 8.741 1.00 0.00 H new ATOM 0 HA SER A 24 4.233 -0.450 10.246 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.192 -1.932 10.683 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.812 -3.028 9.464 1.00 0.00 H new ATOM 0 HG SER A 24 3.498 -3.612 11.601 1.00 0.00 H new ATOM 352 N SER A 25 4.571 -1.854 7.325 1.00 0.00 N ATOM 353 CA SER A 25 5.541 -2.354 6.357 1.00 0.00 C ATOM 354 C SER A 25 6.458 -1.233 5.878 1.00 0.00 C ATOM 355 O SER A 25 7.679 -1.386 5.844 1.00 0.00 O ATOM 356 CB SER A 25 4.822 -2.985 5.163 1.00 0.00 C ATOM 357 OG SER A 25 5.611 -4.005 4.574 1.00 0.00 O ATOM 0 H SER A 25 3.636 -1.702 6.946 1.00 0.00 H new ATOM 0 HA SER A 25 6.150 -3.113 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.868 -3.400 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.600 -2.218 4.421 1.00 0.00 H new ATOM 0 HG SER A 25 5.914 -3.714 3.689 1.00 0.00 H new ATOM 363 N PHE A 26 5.860 -0.105 5.509 1.00 0.00 N ATOM 364 CA PHE A 26 6.621 1.043 5.031 1.00 0.00 C ATOM 365 C PHE A 26 7.858 1.274 5.894 1.00 0.00 C ATOM 366 O PHE A 26 8.971 1.392 5.384 1.00 0.00 O ATOM 367 CB PHE A 26 5.745 2.298 5.029 1.00 0.00 C ATOM 368 CG PHE A 26 6.353 3.453 4.285 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.835 3.286 2.997 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.442 4.704 4.874 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.396 4.347 2.310 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.001 5.768 4.192 1.00 0.00 C ATOM 373 CZ PHE A 26 7.478 5.589 2.908 1.00 0.00 C ATOM 0 H PHE A 26 4.850 0.038 5.532 1.00 0.00 H new ATOM 0 HA PHE A 26 6.945 0.833 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.780 2.057 4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.554 2.600 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.772 2.317 2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.070 4.849 5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.770 4.204 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.065 6.738 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.914 6.419 2.373 1.00 0.00 H new ATOM 383 N ALA A 27 7.653 1.337 7.206 1.00 0.00 N ATOM 384 CA ALA A 27 8.750 1.551 8.141 1.00 0.00 C ATOM 385 C ALA A 27 9.949 0.677 7.790 1.00 0.00 C ATOM 386 O ALA A 27 11.097 1.104 7.912 1.00 0.00 O ATOM 387 CB ALA A 27 8.292 1.275 9.565 1.00 0.00 C ATOM 0 H ALA A 27 6.737 1.243 7.645 1.00 0.00 H new ATOM 0 HA ALA A 27 9.059 2.594 8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.122 1.439 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.472 1.946 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.954 0.242 9.645 1.00 0.00 H new ATOM 393 N GLN A 28 9.675 -0.549 7.356 1.00 0.00 N ATOM 394 CA GLN A 28 10.732 -1.484 6.989 1.00 0.00 C ATOM 395 C GLN A 28 11.359 -1.099 5.653 1.00 0.00 C ATOM 396 O GLN A 28 12.581 -1.027 5.528 1.00 0.00 O ATOM 397 CB GLN A 28 10.180 -2.908 6.916 1.00 0.00 C ATOM 398 CG GLN A 28 9.628 -3.416 8.238 1.00 0.00 C ATOM 399 CD GLN A 28 9.691 -4.926 8.356 1.00 0.00 C ATOM 400 OE1 GLN A 28 8.783 -5.633 7.916 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.766 -5.429 8.951 1.00 0.00 N ATOM 0 H GLN A 28 8.730 -0.918 7.250 1.00 0.00 H new ATOM 0 HA GLN A 28 11.504 -1.441 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.391 -2.945 6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.971 -3.579 6.581 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.189 -2.968 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.593 -3.090 8.344 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.494 -4.806 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.864 -6.439 9.058 1.00 0.00 H new ATOM 410 N ASN A 29 10.514 -0.854 4.657 1.00 0.00 N ATOM 411 CA ASN A 29 10.986 -0.478 3.329 1.00 0.00 C ATOM 412 C ASN A 29 9.873 0.184 2.524 1.00 0.00 C ATOM 413 O ASN A 29 8.703 -0.190 2.610 1.00 0.00 O ATOM 414 CB ASN A 29 11.508 -1.708 2.583 1.00 0.00 C ATOM 415 CG ASN A 29 10.513 -2.852 2.586 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.386 -2.707 3.061 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.925 -3.996 2.054 1.00 0.00 N ATOM 0 H ASN A 29 9.499 -0.909 4.744 1.00 0.00 H new ATOM 0 HA ASN A 29 11.799 0.238 3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.739 -1.434 1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.440 -2.039 3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.299 -4.801 2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.868 -4.070 1.672 1.00 0.00 H new ATOM 424 N PRO A 30 10.244 1.192 1.720 1.00 0.00 N ATOM 425 CA PRO A 30 9.292 1.928 0.882 1.00 0.00 C ATOM 426 C PRO A 30 8.755 1.080 -0.266 1.00 0.00 C ATOM 427 O PRO A 30 7.595 1.212 -0.658 1.00 0.00 O ATOM 428 CB PRO A 30 10.122 3.095 0.343 1.00 0.00 C ATOM 429 CG PRO A 30 11.529 2.607 0.378 1.00 0.00 C ATOM 430 CD PRO A 30 11.621 1.692 1.567 1.00 0.00 C ATOM 0 HA PRO A 30 8.410 2.238 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.820 3.361 -0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.997 3.987 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.782 2.079 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.228 3.438 0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.327 0.879 1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.957 2.223 2.458 1.00 0.00 H new ATOM 438 N LEU A 31 9.605 0.211 -0.801 1.00 0.00 N ATOM 439 CA LEU A 31 9.215 -0.660 -1.905 1.00 0.00 C ATOM 440 C LEU A 31 9.658 -2.097 -1.647 1.00 0.00 C ATOM 441 O LEU A 31 10.705 -2.543 -2.117 1.00 0.00 O ATOM 442 CB LEU A 31 9.820 -0.155 -3.216 1.00 0.00 C ATOM 443 CG LEU A 31 9.216 1.130 -3.782 1.00 0.00 C ATOM 444 CD1 LEU A 31 9.818 1.450 -5.142 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.702 1.009 -3.883 1.00 0.00 C ATOM 0 H LEU A 31 10.569 0.090 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 31 8.128 -0.643 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.887 0.006 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.720 -0.940 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 31 9.451 1.949 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.376 2.368 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.895 1.581 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.615 0.631 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.289 1.933 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.446 0.179 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.285 0.829 -2.892 1.00 0.00 H new ATOM 457 N PRO A 32 8.842 -2.840 -0.886 1.00 0.00 N ATOM 458 CA PRO A 32 9.127 -4.239 -0.551 1.00 0.00 C ATOM 459 C PRO A 32 9.000 -5.161 -1.759 1.00 0.00 C ATOM 460 O PRO A 32 8.344 -4.823 -2.745 1.00 0.00 O ATOM 461 CB PRO A 32 8.061 -4.578 0.494 1.00 0.00 C ATOM 462 CG PRO A 32 6.940 -3.639 0.211 1.00 0.00 C ATOM 463 CD PRO A 32 7.577 -2.373 -0.293 1.00 0.00 C ATOM 0 HA PRO A 32 10.149 -4.373 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.739 -5.616 0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.443 -4.445 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.260 -4.056 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.353 -3.450 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.948 -1.873 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.750 -1.661 0.514 1.00 0.00 H new ATOM 471 N LEU A 33 9.631 -6.327 -1.676 1.00 0.00 N ATOM 472 CA LEU A 33 9.589 -7.299 -2.763 1.00 0.00 C ATOM 473 C LEU A 33 8.354 -8.188 -2.650 1.00 0.00 C ATOM 474 O LEU A 33 7.545 -8.031 -1.736 1.00 0.00 O ATOM 475 CB LEU A 33 10.854 -8.160 -2.753 1.00 0.00 C ATOM 476 CG LEU A 33 12.152 -7.449 -3.135 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.351 -8.347 -2.868 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.118 -7.023 -4.595 1.00 0.00 C ATOM 0 H LEU A 33 10.178 -6.622 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 33 9.536 -6.753 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.974 -8.582 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.706 -8.996 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 33 12.248 -6.555 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.266 -7.824 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.386 -8.602 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.261 -9.259 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.050 -6.519 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.997 -7.902 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.282 -6.343 -4.756 1.00 0.00 H new ATOM 490 N ASP A 34 8.218 -9.122 -3.585 1.00 0.00 N ATOM 491 CA ASP A 34 7.083 -10.039 -3.589 1.00 0.00 C ATOM 492 C ASP A 34 7.013 -10.823 -2.283 1.00 0.00 C ATOM 493 O ASP A 34 5.930 -11.074 -1.756 1.00 0.00 O ATOM 494 CB ASP A 34 7.184 -11.003 -4.772 1.00 0.00 C ATOM 495 CG ASP A 34 8.620 -11.310 -5.148 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.284 -12.056 -4.398 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.080 -10.805 -6.194 1.00 0.00 O ATOM 0 H ASP A 34 8.878 -9.264 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 34 6.171 -9.450 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.670 -11.932 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.670 -10.573 -5.632 1.00 0.00 H new ATOM 502 N GLU A 35 8.176 -11.208 -1.766 1.00 0.00 N ATOM 503 CA GLU A 35 8.246 -11.966 -0.522 1.00 0.00 C ATOM 504 C GLU A 35 7.563 -11.210 0.614 1.00 0.00 C ATOM 505 O GLU A 35 6.656 -11.731 1.262 1.00 0.00 O ATOM 506 CB GLU A 35 9.703 -12.253 -0.155 1.00 0.00 C ATOM 507 CG GLU A 35 10.547 -11.000 0.010 1.00 0.00 C ATOM 508 CD GLU A 35 12.035 -11.295 0.009 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.491 -12.041 -0.883 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.743 -10.781 0.900 1.00 0.00 O ATOM 0 H GLU A 35 9.082 -11.007 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 35 7.724 -12.911 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.729 -12.824 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.147 -12.881 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.318 -10.303 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.279 -10.506 0.944 1.00 0.00 H new ATOM 517 N GLU A 36 8.006 -9.979 0.849 1.00 0.00 N ATOM 518 CA GLU A 36 7.439 -9.153 1.907 1.00 0.00 C ATOM 519 C GLU A 36 5.995 -8.775 1.588 1.00 0.00 C ATOM 520 O GLU A 36 5.182 -8.565 2.490 1.00 0.00 O ATOM 521 CB GLU A 36 8.277 -7.887 2.102 1.00 0.00 C ATOM 522 CG GLU A 36 7.721 -6.945 3.156 1.00 0.00 C ATOM 523 CD GLU A 36 7.286 -7.670 4.416 1.00 0.00 C ATOM 524 OE1 GLU A 36 7.989 -8.615 4.829 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.243 -7.291 4.987 1.00 0.00 O ATOM 0 H GLU A 36 8.756 -9.532 0.321 1.00 0.00 H new ATOM 0 HA GLU A 36 7.450 -9.733 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.291 -8.172 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.345 -7.357 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.478 -6.204 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.871 -6.403 2.741 1.00 0.00 H new ATOM 532 N LEU A 37 5.683 -8.691 0.300 1.00 0.00 N ATOM 533 CA LEU A 37 4.337 -8.339 -0.140 1.00 0.00 C ATOM 534 C LEU A 37 3.382 -9.516 0.033 1.00 0.00 C ATOM 535 O LEU A 37 2.195 -9.330 0.301 1.00 0.00 O ATOM 536 CB LEU A 37 4.358 -7.895 -1.604 1.00 0.00 C ATOM 537 CG LEU A 37 4.975 -6.524 -1.881 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.331 -6.386 -3.353 1.00 0.00 C ATOM 539 CD2 LEU A 37 4.025 -5.415 -1.454 1.00 0.00 C ATOM 0 H LEU A 37 6.343 -8.862 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 37 3.983 -7.514 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.905 -8.641 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.334 -7.892 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 37 5.891 -6.435 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.769 -5.404 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.049 -7.159 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.430 -6.497 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.481 -4.446 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.092 -5.501 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.821 -5.502 -0.387 1.00 0.00 H new ATOM 551 N ASP A 38 3.909 -10.726 -0.120 1.00 0.00 N ATOM 552 CA ASP A 38 3.104 -11.933 0.022 1.00 0.00 C ATOM 553 C ASP A 38 2.463 -11.999 1.405 1.00 0.00 C ATOM 554 O ASP A 38 1.336 -12.470 1.556 1.00 0.00 O ATOM 555 CB ASP A 38 3.964 -13.176 -0.215 1.00 0.00 C ATOM 556 CG ASP A 38 3.167 -14.461 -0.103 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.492 -14.652 0.929 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.220 -15.276 -1.048 1.00 0.00 O ATOM 0 H ASP A 38 4.890 -10.897 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 38 2.311 -11.901 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.417 -13.118 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.779 -13.193 0.508 1.00 0.00 H new ATOM 563 N ARG A 39 3.190 -11.525 2.412 1.00 0.00 N ATOM 564 CA ARG A 39 2.694 -11.532 3.783 1.00 0.00 C ATOM 565 C ARG A 39 1.649 -10.439 3.988 1.00 0.00 C ATOM 566 O ARG A 39 0.630 -10.656 4.646 1.00 0.00 O ATOM 567 CB ARG A 39 3.849 -11.340 4.767 1.00 0.00 C ATOM 568 CG ARG A 39 3.454 -11.555 6.219 1.00 0.00 C ATOM 569 CD ARG A 39 4.652 -11.431 7.146 1.00 0.00 C ATOM 570 NE ARG A 39 5.665 -12.447 6.871 1.00 0.00 N ATOM 571 CZ ARG A 39 6.573 -12.838 7.758 1.00 0.00 C ATOM 572 NH1 ARG A 39 6.596 -12.302 8.970 1.00 0.00 N ATOM 573 NH2 ARG A 39 7.462 -13.769 7.433 1.00 0.00 N ATOM 0 H ARG A 39 4.125 -11.131 2.304 1.00 0.00 H new ATOM 0 HA ARG A 39 2.225 -12.498 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.652 -12.032 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.248 -10.332 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.696 -10.825 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.005 -12.542 6.333 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.093 -10.440 7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.321 -11.520 8.181 1.00 0.00 H new ATOM 0 HE ARG A 39 5.676 -12.880 5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.915 -11.587 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.295 -12.605 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.448 -14.184 6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.159 -14.069 8.115 1.00 0.00 H new ATOM 587 N LEU A 40 1.909 -9.266 3.423 1.00 0.00 N ATOM 588 CA LEU A 40 0.991 -8.138 3.544 1.00 0.00 C ATOM 589 C LEU A 40 -0.320 -8.423 2.819 1.00 0.00 C ATOM 590 O LEU A 40 -1.402 -8.164 3.348 1.00 0.00 O ATOM 591 CB LEU A 40 1.634 -6.870 2.980 1.00 0.00 C ATOM 592 CG LEU A 40 2.886 -6.373 3.702 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.656 -5.396 2.827 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.516 -5.726 5.029 1.00 0.00 C ATOM 0 H LEU A 40 2.748 -9.070 2.876 1.00 0.00 H new ATOM 0 HA LEU A 40 0.774 -7.989 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.889 -7.050 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.891 -6.073 2.994 1.00 0.00 H new ATOM 0 HG LEU A 40 3.528 -7.230 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.544 -5.053 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.955 -5.892 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.022 -4.541 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.420 -5.378 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.853 -4.880 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.010 -6.456 5.661 1.00 0.00 H new ATOM 606 N ARG A 41 -0.217 -8.960 1.608 1.00 0.00 N ATOM 607 CA ARG A 41 -1.395 -9.281 0.811 1.00 0.00 C ATOM 608 C ARG A 41 -2.440 -10.007 1.654 1.00 0.00 C ATOM 609 O ARG A 41 -3.635 -9.949 1.365 1.00 0.00 O ATOM 610 CB ARG A 41 -1.005 -10.143 -0.390 1.00 0.00 C ATOM 611 CG ARG A 41 -0.549 -9.338 -1.596 1.00 0.00 C ATOM 612 CD ARG A 41 -0.220 -10.238 -2.776 1.00 0.00 C ATOM 613 NE ARG A 41 0.254 -11.551 -2.347 1.00 0.00 N ATOM 614 CZ ARG A 41 -0.552 -12.575 -2.088 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.864 -12.438 -2.213 1.00 0.00 N ATOM 616 NH2 ARG A 41 -0.045 -13.739 -1.702 1.00 0.00 N ATOM 0 H ARG A 41 0.670 -9.182 1.157 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.827 -8.346 0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.206 -10.823 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.857 -10.759 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.331 -8.634 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.329 -8.749 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.107 -10.358 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.541 -9.762 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 41 1.259 -11.690 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.258 -11.545 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.480 -13.226 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.964 -13.848 -1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.665 -14.524 -1.503 1.00 0.00 H new ATOM 630 N SER A 42 -1.980 -10.691 2.697 1.00 0.00 N ATOM 631 CA SER A 42 -2.874 -11.432 3.579 1.00 0.00 C ATOM 632 C SER A 42 -3.704 -10.481 4.435 1.00 0.00 C ATOM 633 O SER A 42 -4.882 -10.729 4.692 1.00 0.00 O ATOM 634 CB SER A 42 -2.071 -12.376 4.478 1.00 0.00 C ATOM 635 OG SER A 42 -1.646 -13.522 3.762 1.00 0.00 O ATOM 0 H SER A 42 -0.994 -10.747 2.952 1.00 0.00 H new ATOM 0 HA SER A 42 -3.551 -12.020 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.204 -11.851 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.681 -12.680 5.329 1.00 0.00 H new ATOM 0 HG SER A 42 -1.134 -14.108 4.357 1.00 0.00 H new ATOM 641 N GLU A 43 -3.081 -9.391 4.873 1.00 0.00 N ATOM 642 CA GLU A 43 -3.762 -8.403 5.700 1.00 0.00 C ATOM 643 C GLU A 43 -4.449 -7.350 4.835 1.00 0.00 C ATOM 644 O GLU A 43 -5.645 -7.093 4.982 1.00 0.00 O ATOM 645 CB GLU A 43 -2.770 -7.729 6.650 1.00 0.00 C ATOM 646 CG GLU A 43 -1.846 -8.706 7.357 1.00 0.00 C ATOM 647 CD GLU A 43 -1.321 -8.165 8.673 1.00 0.00 C ATOM 648 OE1 GLU A 43 -1.001 -6.960 8.734 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.232 -8.948 9.642 1.00 0.00 O ATOM 0 H GLU A 43 -2.106 -9.171 4.669 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.522 -8.920 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.168 -7.015 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.324 -7.160 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.380 -9.638 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.005 -8.942 6.704 1.00 0.00 H new ATOM 656 N THR A 44 -3.685 -6.742 3.933 1.00 0.00 N ATOM 657 CA THR A 44 -4.218 -5.717 3.046 1.00 0.00 C ATOM 658 C THR A 44 -5.217 -6.309 2.058 1.00 0.00 C ATOM 659 O THR A 44 -6.037 -5.593 1.484 1.00 0.00 O ATOM 660 CB THR A 44 -3.094 -5.012 2.262 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.343 -5.974 1.513 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.167 -4.259 3.205 1.00 0.00 C ATOM 0 H THR A 44 -2.694 -6.942 3.798 1.00 0.00 H new ATOM 0 HA THR A 44 -4.725 -4.986 3.677 1.00 0.00 H new ATOM 0 HB THR A 44 -3.550 -4.296 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.942 -6.625 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.382 -3.769 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.737 -3.508 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.718 -4.959 3.909 1.00 0.00 H new ATOM 670 N LYS A 45 -5.143 -7.621 1.865 1.00 0.00 N ATOM 671 CA LYS A 45 -6.042 -8.312 0.947 1.00 0.00 C ATOM 672 C LYS A 45 -6.094 -7.601 -0.401 1.00 0.00 C ATOM 673 O LYS A 45 -7.160 -7.469 -1.003 1.00 0.00 O ATOM 674 CB LYS A 45 -7.448 -8.397 1.546 1.00 0.00 C ATOM 675 CG LYS A 45 -7.470 -8.913 2.974 1.00 0.00 C ATOM 676 CD LYS A 45 -7.490 -10.432 3.019 1.00 0.00 C ATOM 677 CE LYS A 45 -8.852 -10.982 2.625 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.936 -12.455 2.831 1.00 0.00 N ATOM 0 H LYS A 45 -4.469 -8.228 2.332 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.658 -9.320 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.906 -7.408 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.060 -9.049 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.595 -8.544 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.347 -8.521 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.728 -10.827 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.236 -10.771 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.627 -10.488 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.049 -10.750 1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.879 -12.791 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.214 -12.928 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.774 -12.675 3.834 1.00 0.00 H new ATOM 692 N MET A 46 -4.937 -7.145 -0.871 1.00 0.00 N ATOM 693 CA MET A 46 -4.852 -6.450 -2.150 1.00 0.00 C ATOM 694 C MET A 46 -3.895 -7.168 -3.096 1.00 0.00 C ATOM 695 O MET A 46 -3.309 -8.193 -2.744 1.00 0.00 O ATOM 696 CB MET A 46 -4.393 -5.006 -1.940 1.00 0.00 C ATOM 697 CG MET A 46 -5.318 -4.199 -1.044 1.00 0.00 C ATOM 698 SD MET A 46 -5.325 -2.443 -1.455 1.00 0.00 S ATOM 699 CE MET A 46 -3.631 -2.000 -1.079 1.00 0.00 C ATOM 0 H MET A 46 -4.046 -7.244 -0.385 1.00 0.00 H new ATOM 0 HA MET A 46 -5.845 -6.446 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.393 -5.011 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.318 -4.513 -2.909 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.331 -4.592 -1.127 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.012 -4.324 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.492 -0.930 -1.232 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.411 -2.250 -0.041 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.957 -2.550 -1.735 1.00 0.00 H new ATOM 709 N THR A 47 -3.741 -6.624 -4.299 1.00 0.00 N ATOM 710 CA THR A 47 -2.856 -7.213 -5.296 1.00 0.00 C ATOM 711 C THR A 47 -1.536 -6.455 -5.377 1.00 0.00 C ATOM 712 O THR A 47 -1.423 -5.333 -4.884 1.00 0.00 O ATOM 713 CB THR A 47 -3.512 -7.229 -6.690 1.00 0.00 C ATOM 714 OG1 THR A 47 -4.056 -5.939 -6.990 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.612 -8.277 -6.758 1.00 0.00 C ATOM 0 H THR A 47 -4.218 -5.776 -4.606 1.00 0.00 H new ATOM 0 HA THR A 47 -2.664 -8.239 -4.981 1.00 0.00 H new ATOM 0 HB THR A 47 -2.747 -7.480 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.470 -5.957 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.061 -8.270 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.189 -9.262 -6.558 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.376 -8.052 -6.014 1.00 0.00 H new ATOM 723 N ARG A 48 -0.540 -7.075 -6.002 1.00 0.00 N ATOM 724 CA ARG A 48 0.773 -6.458 -6.146 1.00 0.00 C ATOM 725 C ARG A 48 0.653 -5.059 -6.744 1.00 0.00 C ATOM 726 O ARG A 48 1.346 -4.132 -6.323 1.00 0.00 O ATOM 727 CB ARG A 48 1.673 -7.325 -7.028 1.00 0.00 C ATOM 728 CG ARG A 48 2.486 -8.347 -6.249 1.00 0.00 C ATOM 729 CD ARG A 48 1.588 -9.307 -5.484 1.00 0.00 C ATOM 730 NE ARG A 48 1.199 -10.457 -6.295 1.00 0.00 N ATOM 731 CZ ARG A 48 2.047 -11.403 -6.683 1.00 0.00 C ATOM 732 NH1 ARG A 48 3.325 -11.335 -6.336 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.617 -12.419 -7.420 1.00 0.00 N ATOM 0 H ARG A 48 -0.617 -8.004 -6.416 1.00 0.00 H new ATOM 0 HA ARG A 48 1.219 -6.374 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.057 -7.846 -7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.353 -6.680 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.120 -8.909 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.148 -7.833 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.106 -9.653 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.694 -8.780 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 48 0.223 -10.538 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.659 -10.555 -5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.974 -12.063 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.635 -12.474 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.269 -13.145 -7.718 1.00 0.00 H new ATOM 747 N ARG A 49 -0.229 -4.915 -7.727 1.00 0.00 N ATOM 748 CA ARG A 49 -0.438 -3.630 -8.384 1.00 0.00 C ATOM 749 C ARG A 49 -1.070 -2.626 -7.425 1.00 0.00 C ATOM 750 O ARG A 49 -0.722 -1.446 -7.429 1.00 0.00 O ATOM 751 CB ARG A 49 -1.326 -3.802 -9.618 1.00 0.00 C ATOM 752 CG ARG A 49 -2.705 -4.358 -9.303 1.00 0.00 C ATOM 753 CD ARG A 49 -3.307 -5.067 -10.506 1.00 0.00 C ATOM 754 NE ARG A 49 -3.612 -4.140 -11.592 1.00 0.00 N ATOM 755 CZ ARG A 49 -3.767 -4.514 -12.857 1.00 0.00 C ATOM 756 NH1 ARG A 49 -3.646 -5.791 -13.193 1.00 0.00 N ATOM 757 NH2 ARG A 49 -4.043 -3.611 -13.788 1.00 0.00 N ATOM 0 H ARG A 49 -0.811 -5.672 -8.086 1.00 0.00 H new ATOM 0 HA ARG A 49 0.534 -3.247 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.437 -2.837 -10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.828 -4.467 -10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.636 -5.053 -8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.363 -3.547 -8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.613 -5.828 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.218 -5.583 -10.204 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.712 -3.150 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.434 -6.488 -12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.765 -6.076 -14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.136 -2.628 -13.533 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.162 -3.900 -14.759 1.00 0.00 H new ATOM 771 N GLU A 50 -2.002 -3.103 -6.605 1.00 0.00 N ATOM 772 CA GLU A 50 -2.683 -2.247 -5.642 1.00 0.00 C ATOM 773 C GLU A 50 -1.725 -1.793 -4.544 1.00 0.00 C ATOM 774 O GLU A 50 -1.612 -0.600 -4.259 1.00 0.00 O ATOM 775 CB GLU A 50 -3.873 -2.983 -5.023 1.00 0.00 C ATOM 776 CG GLU A 50 -5.077 -3.077 -5.945 1.00 0.00 C ATOM 777 CD GLU A 50 -5.642 -1.718 -6.307 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.017 -1.016 -7.130 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.709 -1.355 -5.769 1.00 0.00 O ATOM 0 H GLU A 50 -2.302 -4.078 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.046 -1.366 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.561 -3.989 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.167 -2.473 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.792 -3.602 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.853 -3.672 -5.464 1.00 0.00 H new ATOM 786 N ILE A 51 -1.039 -2.752 -3.932 1.00 0.00 N ATOM 787 CA ILE A 51 -0.091 -2.451 -2.866 1.00 0.00 C ATOM 788 C ILE A 51 1.016 -1.526 -3.360 1.00 0.00 C ATOM 789 O ILE A 51 1.266 -0.472 -2.774 1.00 0.00 O ATOM 790 CB ILE A 51 0.544 -3.735 -2.299 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.536 -4.651 -1.720 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.578 -3.390 -1.238 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.015 -6.006 -1.296 1.00 0.00 C ATOM 0 H ILE A 51 -1.122 -3.744 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.652 -1.953 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 51 1.046 -4.263 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.994 -4.161 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.321 -4.789 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.018 -4.307 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.360 -2.772 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.098 -2.843 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.835 -6.602 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.417 -6.516 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.749 -5.878 -0.529 1.00 0.00 H new ATOM 805 N ASP A 52 1.674 -1.925 -4.443 1.00 0.00 N ATOM 806 CA ASP A 52 2.753 -1.130 -5.018 1.00 0.00 C ATOM 807 C ASP A 52 2.311 0.316 -5.225 1.00 0.00 C ATOM 808 O ASP A 52 3.016 1.251 -4.845 1.00 0.00 O ATOM 809 CB ASP A 52 3.206 -1.733 -6.348 1.00 0.00 C ATOM 810 CG ASP A 52 4.649 -1.402 -6.673 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.523 -1.656 -5.817 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.905 -0.889 -7.782 1.00 0.00 O ATOM 0 H ASP A 52 1.479 -2.794 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 52 3.590 -1.139 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.084 -2.816 -6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.563 -1.365 -7.148 1.00 0.00 H new ATOM 817 N SER A 53 1.141 0.491 -5.831 1.00 0.00 N ATOM 818 CA SER A 53 0.608 1.822 -6.094 1.00 0.00 C ATOM 819 C SER A 53 0.629 2.675 -4.828 1.00 0.00 C ATOM 820 O SER A 53 1.213 3.758 -4.807 1.00 0.00 O ATOM 821 CB SER A 53 -0.820 1.726 -6.634 1.00 0.00 C ATOM 822 OG SER A 53 -1.372 3.013 -6.848 1.00 0.00 O ATOM 0 H SER A 53 0.544 -0.273 -6.149 1.00 0.00 H new ATOM 0 HA SER A 53 1.240 2.298 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.822 1.166 -7.569 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.442 1.173 -5.930 1.00 0.00 H new ATOM 0 HG SER A 53 -2.284 2.924 -7.195 1.00 0.00 H new ATOM 828 N TRP A 54 -0.012 2.178 -3.777 1.00 0.00 N ATOM 829 CA TRP A 54 -0.068 2.893 -2.507 1.00 0.00 C ATOM 830 C TRP A 54 1.302 3.448 -2.135 1.00 0.00 C ATOM 831 O TRP A 54 1.482 4.661 -2.024 1.00 0.00 O ATOM 832 CB TRP A 54 -0.576 1.968 -1.400 1.00 0.00 C ATOM 833 CG TRP A 54 -0.697 2.647 -0.069 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.802 3.271 0.436 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.326 2.771 0.926 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.528 3.775 1.684 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.230 3.481 2.008 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.655 2.350 1.008 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.500 3.779 3.156 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.379 2.646 2.148 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.800 3.354 3.209 1.00 0.00 C ATOM 0 H TRP A 54 -0.500 1.283 -3.779 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.759 3.728 -2.618 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.549 1.570 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.101 1.119 -1.307 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.752 3.356 -0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.185 4.286 2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.109 1.803 0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.056 4.326 3.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.408 2.326 2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.391 3.569 4.087 1.00 0.00 H new ATOM 852 N PHE A 55 2.266 2.554 -1.942 1.00 0.00 N ATOM 853 CA PHE A 55 3.620 2.955 -1.581 1.00 0.00 C ATOM 854 C PHE A 55 4.116 4.076 -2.490 1.00 0.00 C ATOM 855 O PHE A 55 4.530 5.135 -2.018 1.00 0.00 O ATOM 856 CB PHE A 55 4.569 1.758 -1.666 1.00 0.00 C ATOM 857 CG PHE A 55 4.447 0.813 -0.504 1.00 0.00 C ATOM 858 CD1 PHE A 55 4.862 1.193 0.762 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.918 -0.456 -0.679 1.00 0.00 C ATOM 860 CE1 PHE A 55 4.751 0.326 1.832 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.803 -1.327 0.388 1.00 0.00 C ATOM 862 CZ PHE A 55 4.222 -0.936 1.645 1.00 0.00 C ATOM 0 H PHE A 55 2.134 1.546 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 55 3.601 3.324 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.372 1.213 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.595 2.121 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.277 2.178 0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.592 -0.768 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.078 0.635 2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.386 -2.312 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.136 -1.616 2.480 1.00 0.00 H new ATOM 872 N SER A 56 4.071 3.835 -3.796 1.00 0.00 N ATOM 873 CA SER A 56 4.519 4.822 -4.772 1.00 0.00 C ATOM 874 C SER A 56 3.779 6.143 -4.587 1.00 0.00 C ATOM 875 O SER A 56 4.279 7.204 -4.960 1.00 0.00 O ATOM 876 CB SER A 56 4.304 4.298 -6.193 1.00 0.00 C ATOM 877 OG SER A 56 4.871 5.176 -7.151 1.00 0.00 O ATOM 0 H SER A 56 3.729 2.965 -4.203 1.00 0.00 H new ATOM 0 HA SER A 56 5.583 4.997 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.752 3.309 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.237 4.185 -6.385 1.00 0.00 H new ATOM 0 HG SER A 56 4.722 4.818 -8.051 1.00 0.00 H new ATOM 883 N GLU A 57 2.584 6.069 -4.008 1.00 0.00 N ATOM 884 CA GLU A 57 1.775 7.260 -3.775 1.00 0.00 C ATOM 885 C GLU A 57 1.980 7.788 -2.358 1.00 0.00 C ATOM 886 O GLU A 57 1.677 8.945 -2.066 1.00 0.00 O ATOM 887 CB GLU A 57 0.294 6.950 -4.005 1.00 0.00 C ATOM 888 CG GLU A 57 -0.149 7.136 -5.447 1.00 0.00 C ATOM 889 CD GLU A 57 0.239 8.490 -6.007 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.137 9.490 -5.266 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.647 8.549 -7.186 1.00 0.00 O ATOM 0 H GLU A 57 2.156 5.199 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 57 2.093 8.028 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.095 5.922 -3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.307 7.593 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.293 6.352 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.231 7.018 -5.509 1.00 0.00 H new ATOM 898 N ARG A 58 2.497 6.932 -1.483 1.00 0.00 N ATOM 899 CA ARG A 58 2.742 7.311 -0.096 1.00 0.00 C ATOM 900 C ARG A 58 4.167 7.826 0.083 1.00 0.00 C ATOM 901 O ARG A 58 4.378 8.983 0.448 1.00 0.00 O ATOM 902 CB ARG A 58 2.498 6.119 0.831 1.00 0.00 C ATOM 903 CG ARG A 58 2.674 6.448 2.305 1.00 0.00 C ATOM 904 CD ARG A 58 1.601 7.409 2.792 1.00 0.00 C ATOM 905 NE ARG A 58 1.805 7.796 4.186 1.00 0.00 N ATOM 906 CZ ARG A 58 1.099 8.741 4.797 1.00 0.00 C ATOM 907 NH1 ARG A 58 0.147 9.390 4.142 1.00 0.00 N ATOM 908 NH2 ARG A 58 1.344 9.036 6.067 1.00 0.00 N ATOM 0 H ARG A 58 2.754 5.971 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 58 2.050 8.112 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.487 5.745 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.183 5.315 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.635 5.530 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.658 6.888 2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.601 8.300 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.621 6.943 2.685 1.00 0.00 H new ATOM 0 HE ARG A 58 2.529 7.314 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.045 9.164 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.393 10.115 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.075 8.537 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.802 9.762 6.536 1.00 0.00 H new ATOM 922 N ARG A 59 5.141 6.960 -0.176 1.00 0.00 N ATOM 923 CA ARG A 59 6.545 7.326 -0.041 1.00 0.00 C ATOM 924 C ARG A 59 6.837 8.637 -0.767 1.00 0.00 C ATOM 925 O ARG A 59 7.703 9.408 -0.355 1.00 0.00 O ATOM 926 CB ARG A 59 7.440 6.215 -0.594 1.00 0.00 C ATOM 927 CG ARG A 59 7.488 6.170 -2.112 1.00 0.00 C ATOM 928 CD ARG A 59 8.740 5.464 -2.609 1.00 0.00 C ATOM 929 NE ARG A 59 9.875 6.375 -2.722 1.00 0.00 N ATOM 930 CZ ARG A 59 11.135 5.970 -2.839 1.00 0.00 C ATOM 931 NH1 ARG A 59 11.418 4.675 -2.858 1.00 0.00 N ATOM 932 NH2 ARG A 59 12.113 6.860 -2.937 1.00 0.00 N ATOM 0 H ARG A 59 4.983 5.999 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 59 6.759 7.461 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.451 6.351 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.084 5.254 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.605 5.655 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.460 7.185 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.993 4.653 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.540 5.013 -3.581 1.00 0.00 H new ATOM 0 HE ARG A 59 9.691 7.378 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.668 3.988 -2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.386 4.366 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.899 7.857 -2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.080 6.548 -3.027 1.00 0.00 H new ATOM 946 N LYS A 60 6.108 8.882 -1.851 1.00 0.00 N ATOM 947 CA LYS A 60 6.287 10.098 -2.634 1.00 0.00 C ATOM 948 C LYS A 60 5.653 11.295 -1.933 1.00 0.00 C ATOM 949 O LYS A 60 6.060 12.438 -2.143 1.00 0.00 O ATOM 950 CB LYS A 60 5.676 9.926 -4.027 1.00 0.00 C ATOM 951 CG LYS A 60 4.157 9.955 -4.033 1.00 0.00 C ATOM 952 CD LYS A 60 3.608 10.148 -5.436 1.00 0.00 C ATOM 953 CE LYS A 60 3.574 11.618 -5.825 1.00 0.00 C ATOM 954 NZ LYS A 60 4.890 12.087 -6.339 1.00 0.00 N ATOM 0 H LYS A 60 5.387 8.254 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 60 7.357 10.283 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.049 10.717 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.015 8.980 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.773 9.024 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.805 10.761 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.223 9.597 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.602 9.732 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.810 11.774 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.288 12.216 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.740 12.725 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.396 12.595 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.455 11.269 -6.644 1.00 0.00 H new ATOM 968 N LYS A 61 4.654 11.026 -1.099 1.00 0.00 N ATOM 969 CA LYS A 61 3.965 12.079 -0.364 1.00 0.00 C ATOM 970 C LYS A 61 4.853 12.644 0.739 1.00 0.00 C ATOM 971 O LYS A 61 4.797 13.835 1.047 1.00 0.00 O ATOM 972 CB LYS A 61 2.664 11.543 0.238 1.00 0.00 C ATOM 973 CG LYS A 61 1.828 12.607 0.927 1.00 0.00 C ATOM 974 CD LYS A 61 2.197 12.742 2.395 1.00 0.00 C ATOM 975 CE LYS A 61 1.314 13.760 3.101 1.00 0.00 C ATOM 976 NZ LYS A 61 1.840 14.110 4.449 1.00 0.00 N ATOM 0 H LYS A 61 4.303 10.086 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 61 3.731 12.881 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.071 11.082 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.902 10.759 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.971 13.564 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.771 12.355 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.101 11.773 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.241 13.042 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.243 14.662 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.305 13.360 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.211 14.806 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.884 13.254 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.793 14.515 4.355 1.00 0.00 H new