USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot 180:sc= 0.664 USER MOD Set 1.2: A 31 LYS NZ :NH3+ -173:sc= -0.767 (180deg=-1.76) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= 0.904 F(o=-12,f=-6.8) USER MOD Set 2.2: A 38 CYS SG : rot -72:sc= -7.66! USER MOD Set 3.1: A 9 SER OG : rot -7:sc= 0.843 USER MOD Set 3.2: A 11 GLN : amide:sc= -0.451 X(o=0.39,f=0.46) USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= -0.993 (180deg=-1.95!) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.929! C(o=-2.7!,f=-0.93!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.71 F(o=-2,f=-0.71) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.232 F(o=-1.1,f=-0.23) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.385 -1.079 0.109 1.00 0.00 N ATOM 202 CA SER A 9 13.060 -2.361 0.297 1.00 0.00 C ATOM 203 C SER A 9 12.120 -3.511 -0.082 1.00 0.00 C ATOM 204 O SER A 9 11.005 -3.268 -0.541 1.00 0.00 O ATOM 205 CB SER A 9 13.509 -2.486 1.756 1.00 0.00 C ATOM 206 OG SER A 9 13.305 -1.275 2.462 1.00 0.00 O ATOM 0 HA SER A 9 13.936 -2.412 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.956 -3.290 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.564 -2.757 1.792 1.00 0.00 H new ATOM 0 HG SER A 9 13.017 -0.577 1.838 1.00 0.00 H new ATOM 212 N PRO A 10 12.530 -4.785 0.112 1.00 0.00 N ATOM 213 CA PRO A 10 11.673 -5.930 -0.214 1.00 0.00 C ATOM 214 C PRO A 10 10.300 -5.791 0.431 1.00 0.00 C ATOM 215 O PRO A 10 9.315 -6.365 -0.032 1.00 0.00 O ATOM 216 CB PRO A 10 12.425 -7.137 0.364 1.00 0.00 C ATOM 217 CG PRO A 10 13.460 -6.556 1.265 1.00 0.00 C ATOM 218 CD PRO A 10 13.816 -5.224 0.672 1.00 0.00 C ATOM 0 HA PRO A 10 11.492 -6.020 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.751 -7.796 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.881 -7.733 -0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.077 -6.443 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.335 -7.204 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.192 -4.530 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.586 -5.311 -0.094 1.00 0.00 H new ATOM 226 N GLN A 11 10.251 -5.004 1.502 1.00 0.00 N ATOM 227 CA GLN A 11 9.015 -4.750 2.227 1.00 0.00 C ATOM 228 C GLN A 11 7.906 -4.307 1.283 1.00 0.00 C ATOM 229 O GLN A 11 6.730 -4.466 1.587 1.00 0.00 O ATOM 230 CB GLN A 11 9.255 -3.685 3.295 1.00 0.00 C ATOM 231 CG GLN A 11 10.244 -4.114 4.366 1.00 0.00 C ATOM 232 CD GLN A 11 11.373 -3.119 4.556 1.00 0.00 C ATOM 233 OE1 GLN A 11 12.523 -3.501 4.770 1.00 0.00 O ATOM 234 NE2 GLN A 11 11.050 -1.832 4.477 1.00 0.00 N ATOM 0 H GLN A 11 11.065 -4.527 1.889 1.00 0.00 H new ATOM 0 HA GLN A 11 8.698 -5.677 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.621 -2.777 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.305 -3.435 3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.716 -4.242 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.662 -5.085 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.084 -1.559 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.768 -1.118 4.595 1.00 0.00 H new ATOM 243 N ALA A 12 8.273 -3.762 0.126 1.00 0.00 N ATOM 244 CA ALA A 12 7.274 -3.326 -0.843 1.00 0.00 C ATOM 245 C ALA A 12 6.230 -4.422 -1.040 1.00 0.00 C ATOM 246 O ALA A 12 5.034 -4.212 -0.822 1.00 0.00 O ATOM 247 CB ALA A 12 7.938 -2.975 -2.167 1.00 0.00 C ATOM 0 H ALA A 12 9.241 -3.614 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 12 6.778 -2.433 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.180 -2.651 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.657 -2.170 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.454 -3.852 -2.559 1.00 0.00 H new ATOM 253 N ARG A 13 6.705 -5.599 -1.428 1.00 0.00 N ATOM 254 CA ARG A 13 5.839 -6.749 -1.636 1.00 0.00 C ATOM 255 C ARG A 13 5.516 -7.424 -0.306 1.00 0.00 C ATOM 256 O ARG A 13 4.420 -7.943 -0.116 1.00 0.00 O ATOM 257 CB ARG A 13 6.509 -7.751 -2.577 1.00 0.00 C ATOM 258 CG ARG A 13 7.680 -8.489 -1.943 1.00 0.00 C ATOM 259 CD ARG A 13 8.753 -8.824 -2.966 1.00 0.00 C ATOM 260 NE ARG A 13 9.143 -10.230 -2.911 1.00 0.00 N ATOM 261 CZ ARG A 13 9.946 -10.811 -3.799 1.00 0.00 C ATOM 262 NH1 ARG A 13 10.443 -10.112 -4.813 1.00 0.00 N ATOM 263 NH2 ARG A 13 10.253 -12.095 -3.676 1.00 0.00 N ATOM 0 H ARG A 13 7.693 -5.781 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 13 4.910 -6.402 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.768 -8.478 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.859 -7.225 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.111 -7.876 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.322 -9.407 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.387 -8.588 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.628 -8.198 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 13 8.779 -10.800 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.210 -9.124 -4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.058 -10.563 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.874 -12.638 -2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.869 -12.540 -4.357 1.00 0.00 H new ATOM 277 N ALA A 14 6.486 -7.415 0.608 1.00 0.00 N ATOM 278 CA ALA A 14 6.312 -8.031 1.921 1.00 0.00 C ATOM 279 C ALA A 14 5.244 -7.309 2.732 1.00 0.00 C ATOM 280 O ALA A 14 4.268 -7.917 3.172 1.00 0.00 O ATOM 281 CB ALA A 14 7.633 -8.041 2.677 1.00 0.00 C ATOM 0 H ALA A 14 7.400 -6.987 0.462 1.00 0.00 H new ATOM 0 HA ALA A 14 5.982 -9.059 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.490 -8.503 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.371 -8.610 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.985 -7.018 2.807 1.00 0.00 H new ATOM 287 N PHE A 15 5.429 -6.009 2.922 1.00 0.00 N ATOM 288 CA PHE A 15 4.477 -5.208 3.671 1.00 0.00 C ATOM 289 C PHE A 15 3.078 -5.398 3.101 1.00 0.00 C ATOM 290 O PHE A 15 2.142 -5.710 3.831 1.00 0.00 O ATOM 291 CB PHE A 15 4.900 -3.724 3.674 1.00 0.00 C ATOM 292 CG PHE A 15 4.188 -2.846 2.672 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.836 -2.578 2.804 1.00 0.00 C ATOM 294 CD2 PHE A 15 4.875 -2.285 1.606 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.180 -1.773 1.891 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.224 -1.479 0.690 1.00 0.00 C ATOM 297 CZ PHE A 15 2.875 -1.224 0.835 1.00 0.00 C ATOM 0 H PHE A 15 6.231 -5.489 2.566 1.00 0.00 H new ATOM 0 HA PHE A 15 4.464 -5.541 4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.732 -3.318 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.972 -3.669 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.287 -3.003 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.931 -2.480 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.125 -1.575 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.770 -1.050 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.364 -0.595 0.121 1.00 0.00 H new ATOM 307 N LEU A 16 2.948 -5.234 1.789 1.00 0.00 N ATOM 308 CA LEU A 16 1.659 -5.414 1.133 1.00 0.00 C ATOM 309 C LEU A 16 1.248 -6.881 1.168 1.00 0.00 C ATOM 310 O LEU A 16 0.061 -7.201 1.231 1.00 0.00 O ATOM 311 CB LEU A 16 1.706 -4.923 -0.314 1.00 0.00 C ATOM 312 CG LEU A 16 0.438 -5.202 -1.130 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.430 -3.957 -1.217 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.792 -5.709 -2.522 1.00 0.00 C ATOM 0 H LEU A 16 3.712 -4.979 1.164 1.00 0.00 H new ATOM 0 HA LEU A 16 0.921 -4.822 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.891 -3.849 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.553 -5.392 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.130 -5.979 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.324 -4.177 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.719 -3.644 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.130 -3.156 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.123 -5.900 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.387 -4.958 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.366 -6.632 -2.438 1.00 0.00 H new ATOM 326 N GLU A 17 2.236 -7.772 1.129 1.00 0.00 N ATOM 327 CA GLU A 17 1.968 -9.206 1.159 1.00 0.00 C ATOM 328 C GLU A 17 1.076 -9.551 2.338 1.00 0.00 C ATOM 329 O GLU A 17 -0.007 -10.104 2.166 1.00 0.00 O ATOM 330 CB GLU A 17 3.276 -10.002 1.240 1.00 0.00 C ATOM 331 CG GLU A 17 3.654 -10.686 -0.065 1.00 0.00 C ATOM 332 CD GLU A 17 4.962 -11.445 0.031 1.00 0.00 C ATOM 333 OE1 GLU A 17 5.987 -10.822 0.380 1.00 0.00 O ATOM 334 OE2 GLU A 17 4.962 -12.665 -0.244 1.00 0.00 O ATOM 0 H GLU A 17 3.225 -7.527 1.077 1.00 0.00 H new ATOM 0 HA GLU A 17 1.455 -9.476 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.082 -9.331 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.185 -10.755 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.859 -11.374 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.730 -9.938 -0.854 1.00 0.00 H new ATOM 341 N GLN A 18 1.538 -9.209 3.532 1.00 0.00 N ATOM 342 CA GLN A 18 0.786 -9.471 4.750 1.00 0.00 C ATOM 343 C GLN A 18 -0.464 -8.599 4.816 1.00 0.00 C ATOM 344 O GLN A 18 -1.511 -9.041 5.286 1.00 0.00 O ATOM 345 CB GLN A 18 1.661 -9.249 5.990 1.00 0.00 C ATOM 346 CG GLN A 18 2.687 -8.134 5.838 1.00 0.00 C ATOM 347 CD GLN A 18 2.794 -7.263 7.075 1.00 0.00 C ATOM 348 OE1 GLN A 18 1.652 -6.830 7.598 1.00 0.00 O flip ATOM 349 NE2 GLN A 18 3.891 -6.981 7.556 1.00 0.00 N flip ATOM 0 H GLN A 18 2.435 -8.747 3.683 1.00 0.00 H new ATOM 0 HA GLN A 18 0.474 -10.515 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.017 -9.022 6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.182 -10.177 6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.662 -8.570 5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.418 -7.513 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.744 -7.335 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.947 -6.394 8.388 1.00 0.00 H new ATOM 358 N VAL A 19 -0.359 -7.363 4.326 1.00 0.00 N ATOM 359 CA VAL A 19 -1.504 -6.454 4.324 1.00 0.00 C ATOM 360 C VAL A 19 -2.660 -7.067 3.539 1.00 0.00 C ATOM 361 O VAL A 19 -3.710 -7.379 4.100 1.00 0.00 O ATOM 362 CB VAL A 19 -1.145 -5.081 3.717 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.361 -4.167 3.670 1.00 0.00 C ATOM 364 CG2 VAL A 19 -0.024 -4.425 4.505 1.00 0.00 C ATOM 0 H VAL A 19 0.496 -6.973 3.930 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.800 -6.301 5.362 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.804 -5.247 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.078 -3.207 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.138 -4.626 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.739 -4.013 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.215 -3.458 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.341 -4.282 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.859 -5.063 4.481 1.00 0.00 H new ATOM 374 N PHE A 20 -2.450 -7.249 2.239 1.00 0.00 N ATOM 375 CA PHE A 20 -3.464 -7.840 1.373 1.00 0.00 C ATOM 376 C PHE A 20 -3.817 -9.259 1.824 1.00 0.00 C ATOM 377 O PHE A 20 -4.839 -9.810 1.418 1.00 0.00 O ATOM 378 CB PHE A 20 -2.970 -7.861 -0.073 1.00 0.00 C ATOM 379 CG PHE A 20 -3.971 -8.413 -1.048 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.005 -9.770 -1.331 1.00 0.00 C ATOM 381 CD2 PHE A 20 -4.876 -7.577 -1.682 1.00 0.00 C ATOM 382 CE1 PHE A 20 -4.923 -10.281 -2.230 1.00 0.00 C ATOM 383 CE2 PHE A 20 -5.796 -8.083 -2.582 1.00 0.00 C ATOM 384 CZ PHE A 20 -5.819 -9.437 -2.855 1.00 0.00 C ATOM 0 H PHE A 20 -1.585 -6.995 1.762 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.364 -7.228 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.707 -6.846 -0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.058 -8.456 -0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.307 -10.435 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.863 -6.518 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.939 -11.340 -2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.495 -7.421 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.537 -9.835 -3.557 1.00 0.00 H new ATOM 394 N ARG A 21 -2.967 -9.849 2.662 1.00 0.00 N ATOM 395 CA ARG A 21 -3.199 -11.199 3.162 1.00 0.00 C ATOM 396 C ARG A 21 -4.225 -11.190 4.289 1.00 0.00 C ATOM 397 O ARG A 21 -5.069 -12.081 4.385 1.00 0.00 O ATOM 398 CB ARG A 21 -1.892 -11.810 3.667 1.00 0.00 C ATOM 399 CG ARG A 21 -1.699 -13.263 3.264 1.00 0.00 C ATOM 400 CD ARG A 21 -0.481 -13.436 2.370 1.00 0.00 C ATOM 401 NE ARG A 21 0.147 -14.742 2.551 1.00 0.00 N ATOM 402 CZ ARG A 21 0.970 -15.299 1.667 1.00 0.00 C ATOM 403 NH1 ARG A 21 1.275 -14.664 0.541 1.00 0.00 N ATOM 404 NH2 ARG A 21 1.491 -16.493 1.907 1.00 0.00 N ATOM 0 H ARG A 21 -2.113 -9.412 3.008 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.585 -11.801 2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.056 -11.223 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.864 -11.737 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.586 -13.878 4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.588 -13.618 2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.776 -13.317 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.244 -12.651 2.588 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.058 -15.258 3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.877 -13.744 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.907 -15.096 -0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.261 -16.986 2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.122 -16.920 1.229 1.00 0.00 H new ATOM 418 N ARG A 22 -4.141 -10.176 5.144 1.00 0.00 N ATOM 419 CA ARG A 22 -5.058 -10.047 6.271 1.00 0.00 C ATOM 420 C ARG A 22 -6.502 -9.953 5.789 1.00 0.00 C ATOM 421 O ARG A 22 -7.408 -10.538 6.382 1.00 0.00 O ATOM 422 CB ARG A 22 -4.708 -8.808 7.093 1.00 0.00 C ATOM 423 CG ARG A 22 -3.585 -9.032 8.093 1.00 0.00 C ATOM 424 CD ARG A 22 -2.885 -7.728 8.448 1.00 0.00 C ATOM 425 NE ARG A 22 -3.828 -6.621 8.598 1.00 0.00 N ATOM 426 CZ ARG A 22 -4.604 -6.447 9.665 1.00 0.00 C ATOM 427 NH1 ARG A 22 -4.549 -7.300 10.681 1.00 0.00 N ATOM 428 NH2 ARG A 22 -5.438 -5.418 9.718 1.00 0.00 N ATOM 0 H ARG A 22 -3.447 -9.431 5.078 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.957 -10.935 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.424 -8.003 6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.597 -8.475 7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.988 -9.488 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.861 -9.733 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.328 -7.857 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.160 -7.483 7.672 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.895 -5.942 7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.909 -8.094 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.146 -7.161 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.485 -4.759 8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.033 -5.285 10.536 1.00 0.00 H new ATOM 442 N LYS A 23 -6.699 -9.212 4.707 1.00 0.00 N ATOM 443 CA LYS A 23 -8.025 -9.030 4.126 1.00 0.00 C ATOM 444 C LYS A 23 -7.900 -8.497 2.699 1.00 0.00 C ATOM 445 O LYS A 23 -6.944 -8.822 2.000 1.00 0.00 O ATOM 446 CB LYS A 23 -8.862 -8.088 4.999 1.00 0.00 C ATOM 447 CG LYS A 23 -8.284 -6.687 5.112 1.00 0.00 C ATOM 448 CD LYS A 23 -9.026 -5.817 6.129 1.00 0.00 C ATOM 449 CE LYS A 23 -9.667 -6.632 7.245 1.00 0.00 C ATOM 450 NZ LYS A 23 -8.659 -7.405 8.022 1.00 0.00 N ATOM 0 H LYS A 23 -5.954 -8.724 4.210 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.535 -9.992 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.869 -8.024 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.952 -8.516 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.234 -6.754 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.319 -6.205 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.330 -5.099 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.797 -5.243 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.208 -5.965 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.399 -7.318 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.921 -8.411 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.722 -7.293 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.629 -7.052 9.000 1.00 0.00 H new ATOM 464 N GLN A 24 -8.858 -7.689 2.257 1.00 0.00 N ATOM 465 CA GLN A 24 -8.811 -7.148 0.906 1.00 0.00 C ATOM 466 C GLN A 24 -9.235 -5.687 0.877 1.00 0.00 C ATOM 467 O GLN A 24 -8.557 -4.845 0.292 1.00 0.00 O ATOM 468 CB GLN A 24 -9.712 -7.964 -0.026 1.00 0.00 C ATOM 469 CG GLN A 24 -9.613 -9.465 0.189 1.00 0.00 C ATOM 470 CD GLN A 24 -8.414 -10.076 -0.511 1.00 0.00 C ATOM 471 OE1 GLN A 24 -7.560 -10.745 0.254 1.00 0.00 O flip ATOM 472 NE2 GLN A 24 -8.259 -9.945 -1.725 1.00 0.00 N flip ATOM 0 H GLN A 24 -9.666 -7.398 2.807 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.779 -7.212 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.746 -7.653 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.452 -7.736 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.550 -9.672 1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.523 -9.941 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.942 -9.422 -2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.447 -10.360 -2.183 1.00 0.00 H new ATOM 481 N SER A 25 -10.367 -5.397 1.501 1.00 0.00 N ATOM 482 CA SER A 25 -10.891 -4.037 1.527 1.00 0.00 C ATOM 483 C SER A 25 -10.562 -3.321 2.833 1.00 0.00 C ATOM 484 O SER A 25 -11.328 -3.381 3.794 1.00 0.00 O ATOM 485 CB SER A 25 -12.405 -4.052 1.315 1.00 0.00 C ATOM 486 OG SER A 25 -12.944 -2.745 1.400 1.00 0.00 O ATOM 0 H SER A 25 -10.940 -6.082 1.995 1.00 0.00 H new ATOM 0 HA SER A 25 -10.410 -3.489 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.635 -4.481 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.874 -4.692 2.063 1.00 0.00 H new ATOM 0 HG SER A 25 -13.913 -2.781 1.259 1.00 0.00 H new ATOM 492 N LEU A 26 -9.430 -2.624 2.853 1.00 0.00 N ATOM 493 CA LEU A 26 -9.020 -1.874 4.033 1.00 0.00 C ATOM 494 C LEU A 26 -9.786 -0.559 4.110 1.00 0.00 C ATOM 495 O LEU A 26 -9.947 0.133 3.104 1.00 0.00 O ATOM 496 CB LEU A 26 -7.512 -1.589 4.008 1.00 0.00 C ATOM 497 CG LEU A 26 -6.601 -2.785 3.705 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.273 -2.644 4.437 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.276 -4.093 4.087 1.00 0.00 C ATOM 0 H LEU A 26 -8.783 -2.564 2.067 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.245 -2.479 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.322 -0.816 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.225 -1.177 4.975 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.410 -2.799 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.640 -3.502 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.775 -1.730 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.453 -2.600 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.609 -4.926 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.503 -4.087 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.200 -4.205 3.520 1.00 0.00 H new ATOM 511 N ASN A 27 -10.249 -0.211 5.303 1.00 0.00 N ATOM 512 CA ASN A 27 -10.990 1.034 5.493 1.00 0.00 C ATOM 513 C ASN A 27 -10.059 2.130 5.997 1.00 0.00 C ATOM 514 O ASN A 27 -8.886 1.883 6.260 1.00 0.00 O ATOM 515 CB ASN A 27 -12.164 0.847 6.471 1.00 0.00 C ATOM 516 CG ASN A 27 -12.220 -0.538 7.090 1.00 0.00 C ATOM 517 OD1 ASN A 27 -11.735 -0.655 8.321 1.00 0.00 O flip ATOM 518 ND2 ASN A 27 -12.691 -1.490 6.469 1.00 0.00 N flip ATOM 0 H ASN A 27 -10.127 -0.767 6.150 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.401 1.328 4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.086 1.589 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.099 1.040 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.053 -1.354 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.720 -2.415 6.898 1.00 0.00 H new ATOM 525 N SER A 28 -10.588 3.340 6.130 1.00 0.00 N ATOM 526 CA SER A 28 -9.797 4.473 6.606 1.00 0.00 C ATOM 527 C SER A 28 -9.080 4.127 7.908 1.00 0.00 C ATOM 528 O SER A 28 -8.035 4.692 8.227 1.00 0.00 O ATOM 529 CB SER A 28 -10.693 5.695 6.812 1.00 0.00 C ATOM 530 OG SER A 28 -10.790 6.461 5.624 1.00 0.00 O ATOM 0 H SER A 28 -11.560 3.564 5.916 1.00 0.00 H new ATOM 0 HA SER A 28 -9.047 4.705 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.687 5.373 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.292 6.313 7.615 1.00 0.00 H new ATOM 0 HG SER A 28 -11.369 7.236 5.781 1.00 0.00 H new ATOM 536 N LYS A 29 -9.651 3.187 8.651 1.00 0.00 N ATOM 537 CA LYS A 29 -9.076 2.750 9.914 1.00 0.00 C ATOM 538 C LYS A 29 -7.941 1.767 9.673 1.00 0.00 C ATOM 539 O LYS A 29 -6.858 1.899 10.240 1.00 0.00 O ATOM 540 CB LYS A 29 -10.157 2.096 10.772 1.00 0.00 C ATOM 541 CG LYS A 29 -11.018 3.083 11.553 1.00 0.00 C ATOM 542 CD LYS A 29 -11.379 4.313 10.729 1.00 0.00 C ATOM 543 CE LYS A 29 -12.361 3.977 9.616 1.00 0.00 C ATOM 544 NZ LYS A 29 -13.559 4.863 9.646 1.00 0.00 N ATOM 0 H LYS A 29 -10.517 2.711 8.397 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.676 3.619 10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.803 1.498 10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.682 1.410 11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.932 2.586 11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.486 3.394 12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.813 5.072 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.474 4.741 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.863 4.073 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.676 2.938 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.203 4.602 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.049 4.753 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.262 5.853 9.530 1.00 0.00 H new ATOM 558 N GLU A 30 -8.195 0.789 8.816 1.00 0.00 N ATOM 559 CA GLU A 30 -7.198 -0.212 8.483 1.00 0.00 C ATOM 560 C GLU A 30 -6.117 0.412 7.628 1.00 0.00 C ATOM 561 O GLU A 30 -4.946 0.109 7.772 1.00 0.00 O ATOM 562 CB GLU A 30 -7.838 -1.380 7.736 1.00 0.00 C ATOM 563 CG GLU A 30 -9.015 -2.000 8.474 1.00 0.00 C ATOM 564 CD GLU A 30 -8.742 -3.421 8.930 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.780 -4.036 8.425 1.00 0.00 O ATOM 566 OE2 GLU A 30 -9.493 -3.920 9.795 1.00 0.00 O ATOM 0 H GLU A 30 -9.088 0.669 8.338 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.760 -0.590 9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.173 -1.035 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.083 -2.147 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.258 -1.386 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.890 -1.994 7.823 1.00 0.00 H new ATOM 573 N LYS A 31 -6.521 1.303 6.742 1.00 0.00 N ATOM 574 CA LYS A 31 -5.582 1.982 5.872 1.00 0.00 C ATOM 575 C LYS A 31 -4.578 2.769 6.710 1.00 0.00 C ATOM 576 O LYS A 31 -3.406 2.869 6.362 1.00 0.00 O ATOM 577 CB LYS A 31 -6.337 2.901 4.911 1.00 0.00 C ATOM 578 CG LYS A 31 -6.460 4.337 5.392 1.00 0.00 C ATOM 579 CD LYS A 31 -7.070 5.233 4.330 1.00 0.00 C ATOM 580 CE LYS A 31 -7.097 6.687 4.775 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.231 6.965 5.698 1.00 0.00 N ATOM 0 H LYS A 31 -7.495 1.573 6.607 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.034 1.248 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.830 2.895 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.336 2.497 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.075 4.368 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.475 4.715 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.498 5.145 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.084 4.900 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.158 6.932 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.174 7.333 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.285 7.987 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.120 6.645 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.082 6.458 6.594 1.00 0.00 H new ATOM 595 N GLU A 32 -5.058 3.322 7.820 1.00 0.00 N ATOM 596 CA GLU A 32 -4.212 4.098 8.718 1.00 0.00 C ATOM 597 C GLU A 32 -3.563 3.194 9.764 1.00 0.00 C ATOM 598 O GLU A 32 -2.415 3.405 10.159 1.00 0.00 O ATOM 599 CB GLU A 32 -5.040 5.192 9.402 1.00 0.00 C ATOM 600 CG GLU A 32 -5.988 4.672 10.474 1.00 0.00 C ATOM 601 CD GLU A 32 -6.614 5.787 11.287 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.024 6.886 11.342 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.697 5.562 11.869 1.00 0.00 O ATOM 0 H GLU A 32 -6.030 3.246 8.119 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.421 4.565 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.363 5.918 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.619 5.722 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.776 4.084 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.445 4.002 11.140 1.00 0.00 H new ATOM 610 N GLU A 33 -4.311 2.189 10.204 1.00 0.00 N ATOM 611 CA GLU A 33 -3.831 1.241 11.200 1.00 0.00 C ATOM 612 C GLU A 33 -2.842 0.260 10.579 1.00 0.00 C ATOM 613 O GLU A 33 -1.867 -0.145 11.210 1.00 0.00 O ATOM 614 CB GLU A 33 -5.017 0.484 11.792 1.00 0.00 C ATOM 615 CG GLU A 33 -5.905 1.344 12.673 1.00 0.00 C ATOM 616 CD GLU A 33 -5.592 1.187 14.148 1.00 0.00 C ATOM 617 OE1 GLU A 33 -4.444 0.820 14.475 1.00 0.00 O ATOM 618 OE2 GLU A 33 -6.494 1.432 14.976 1.00 0.00 O ATOM 0 H GLU A 33 -5.262 2.009 9.882 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.317 1.789 11.989 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.615 0.070 10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.646 -0.358 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.787 2.390 12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.948 1.082 12.497 1.00 0.00 H new ATOM 625 N VAL A 34 -3.106 -0.105 9.333 1.00 0.00 N ATOM 626 CA VAL A 34 -2.256 -1.030 8.595 1.00 0.00 C ATOM 627 C VAL A 34 -1.017 -0.306 8.086 1.00 0.00 C ATOM 628 O VAL A 34 0.086 -0.851 8.099 1.00 0.00 O ATOM 629 CB VAL A 34 -3.021 -1.664 7.407 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.108 -2.532 6.551 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.201 -2.478 7.913 1.00 0.00 C ATOM 0 H VAL A 34 -3.912 0.230 8.806 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.956 -1.829 9.273 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.391 -0.853 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.680 -2.960 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.297 -1.923 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.693 -3.335 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.729 -2.918 7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.841 -3.271 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.880 -1.829 8.467 1.00 0.00 H new ATOM 641 N ALA A 35 -1.211 0.927 7.638 1.00 0.00 N ATOM 642 CA ALA A 35 -0.112 1.734 7.121 1.00 0.00 C ATOM 643 C ALA A 35 0.937 2.023 8.191 1.00 0.00 C ATOM 644 O ALA A 35 2.117 2.194 7.885 1.00 0.00 O ATOM 645 CB ALA A 35 -0.639 3.037 6.551 1.00 0.00 C ATOM 0 H ALA A 35 -2.119 1.391 7.622 1.00 0.00 H new ATOM 0 HA ALA A 35 0.369 1.158 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.192 3.629 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.336 2.824 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.153 3.595 7.334 1.00 0.00 H new ATOM 651 N LYS A 36 0.501 2.103 9.443 1.00 0.00 N ATOM 652 CA LYS A 36 1.407 2.403 10.549 1.00 0.00 C ATOM 653 C LYS A 36 2.061 1.150 11.128 1.00 0.00 C ATOM 654 O LYS A 36 3.095 1.237 11.788 1.00 0.00 O ATOM 655 CB LYS A 36 0.655 3.149 11.649 1.00 0.00 C ATOM 656 CG LYS A 36 -0.418 2.312 12.328 1.00 0.00 C ATOM 657 CD LYS A 36 -1.146 3.104 13.403 1.00 0.00 C ATOM 658 CE LYS A 36 -0.567 2.838 14.783 1.00 0.00 C ATOM 659 NZ LYS A 36 -0.896 3.927 15.744 1.00 0.00 N ATOM 0 H LYS A 36 -0.471 1.965 9.719 1.00 0.00 H new ATOM 0 HA LYS A 36 2.205 3.029 10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.369 3.488 12.400 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.194 4.040 11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.134 1.963 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.037 1.427 12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.080 4.169 13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.204 2.842 13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.952 1.891 15.162 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.516 2.735 14.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.483 3.707 16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.507 4.826 15.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.929 4.009 15.835 1.00 0.00 H new ATOM 673 N LYS A 37 1.460 -0.011 10.892 1.00 0.00 N ATOM 674 CA LYS A 37 2.008 -1.259 11.415 1.00 0.00 C ATOM 675 C LYS A 37 2.683 -2.076 10.317 1.00 0.00 C ATOM 676 O LYS A 37 3.581 -2.872 10.589 1.00 0.00 O ATOM 677 CB LYS A 37 0.910 -2.088 12.086 1.00 0.00 C ATOM 678 CG LYS A 37 -0.090 -2.687 11.111 1.00 0.00 C ATOM 679 CD LYS A 37 -1.092 -3.580 11.822 1.00 0.00 C ATOM 680 CE LYS A 37 -0.479 -4.924 12.187 1.00 0.00 C ATOM 681 NZ LYS A 37 -1.415 -5.764 12.984 1.00 0.00 N ATOM 0 H LYS A 37 0.603 -0.115 10.349 1.00 0.00 H new ATOM 0 HA LYS A 37 2.763 -1.001 12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.373 -2.893 12.657 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.376 -1.458 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.618 -1.887 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.440 -3.264 10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.447 -3.083 12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.960 -3.737 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.200 -5.455 11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.437 -4.763 12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.959 -6.671 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.661 -5.269 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.279 -5.940 12.432 1.00 0.00 H new ATOM 695 N CYS A 38 2.247 -1.878 9.078 1.00 0.00 N ATOM 696 CA CYS A 38 2.814 -2.605 7.950 1.00 0.00 C ATOM 697 C CYS A 38 3.919 -1.797 7.275 1.00 0.00 C ATOM 698 O CYS A 38 4.845 -2.363 6.695 1.00 0.00 O ATOM 699 CB CYS A 38 1.722 -2.957 6.942 1.00 0.00 C ATOM 700 SG CYS A 38 0.444 -4.052 7.605 1.00 0.00 S ATOM 0 H CYS A 38 1.506 -1.223 8.830 1.00 0.00 H new ATOM 0 HA CYS A 38 3.254 -3.528 8.329 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.254 -2.037 6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.180 -3.432 6.075 1.00 0.00 H new ATOM 0 HG CYS A 38 0.931 -5.248 7.751 1.00 0.00 H new ATOM 706 N GLY A 39 3.824 -0.472 7.362 1.00 0.00 N ATOM 707 CA GLY A 39 4.837 0.378 6.762 1.00 0.00 C ATOM 708 C GLY A 39 4.314 1.213 5.611 1.00 0.00 C ATOM 709 O GLY A 39 5.083 1.647 4.755 1.00 0.00 O ATOM 0 H GLY A 39 3.069 0.025 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.245 1.040 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.659 -0.244 6.407 1.00 0.00 H new ATOM 713 N ILE A 40 3.009 1.455 5.593 1.00 0.00 N ATOM 714 CA ILE A 40 2.403 2.262 4.544 1.00 0.00 C ATOM 715 C ILE A 40 1.947 3.602 5.120 1.00 0.00 C ATOM 716 O ILE A 40 2.385 3.997 6.201 1.00 0.00 O ATOM 717 CB ILE A 40 1.202 1.547 3.872 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.100 0.083 4.309 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.319 1.623 2.357 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.187 -0.577 3.864 1.00 0.00 C ATOM 0 H ILE A 40 2.353 1.105 6.291 1.00 0.00 H new ATOM 0 HA ILE A 40 3.161 2.422 3.777 1.00 0.00 H new ATOM 0 HB ILE A 40 0.296 2.061 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.946 -0.472 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.174 0.027 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.469 1.117 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.330 2.667 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.243 1.140 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.201 -1.613 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.036 -0.044 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.252 -0.551 2.776 1.00 0.00 H new ATOM 732 N THR A 41 1.072 4.301 4.405 1.00 0.00 N ATOM 733 CA THR A 41 0.575 5.593 4.871 1.00 0.00 C ATOM 734 C THR A 41 -0.826 5.864 4.329 1.00 0.00 C ATOM 735 O THR A 41 -1.204 5.346 3.279 1.00 0.00 O ATOM 736 CB THR A 41 1.531 6.716 4.453 1.00 0.00 C ATOM 737 OG1 THR A 41 2.730 6.183 3.920 1.00 0.00 O ATOM 738 CG2 THR A 41 1.907 7.637 5.594 1.00 0.00 C ATOM 0 H THR A 41 0.694 3.999 3.507 1.00 0.00 H new ATOM 0 HA THR A 41 0.522 5.564 5.959 1.00 0.00 H new ATOM 0 HB THR A 41 0.988 7.293 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.326 6.916 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.585 8.409 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.008 8.104 5.996 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.399 7.062 6.379 1.00 0.00 H new ATOM 746 N PRO A 42 -1.619 6.685 5.042 1.00 0.00 N ATOM 747 CA PRO A 42 -2.985 7.025 4.628 1.00 0.00 C ATOM 748 C PRO A 42 -3.069 7.421 3.158 1.00 0.00 C ATOM 749 O PRO A 42 -4.112 7.270 2.523 1.00 0.00 O ATOM 750 CB PRO A 42 -3.337 8.211 5.525 1.00 0.00 C ATOM 751 CG PRO A 42 -2.527 8.000 6.756 1.00 0.00 C ATOM 752 CD PRO A 42 -1.246 7.347 6.307 1.00 0.00 C ATOM 0 HA PRO A 42 -3.664 6.179 4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.091 9.158 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.403 8.235 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.327 8.947 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.058 7.368 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.453 8.080 6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.882 6.630 7.043 1.00 0.00 H new ATOM 760 N LEU A 43 -1.962 7.925 2.623 1.00 0.00 N ATOM 761 CA LEU A 43 -1.901 8.340 1.224 1.00 0.00 C ATOM 762 C LEU A 43 -1.507 7.168 0.332 1.00 0.00 C ATOM 763 O LEU A 43 -1.885 7.106 -0.841 1.00 0.00 O ATOM 764 CB LEU A 43 -0.903 9.486 1.053 1.00 0.00 C ATOM 765 CG LEU A 43 -1.239 10.481 -0.058 1.00 0.00 C ATOM 766 CD1 LEU A 43 -2.539 11.206 0.252 1.00 0.00 C ATOM 767 CD2 LEU A 43 -0.104 11.476 -0.245 1.00 0.00 C ATOM 0 H LEU A 43 -1.092 8.057 3.138 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.891 8.686 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.832 10.029 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.082 9.063 0.854 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.367 9.928 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.763 11.910 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.349 10.481 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.438 11.747 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.361 12.176 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.056 12.024 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.808 10.942 -0.513 1.00 0.00 H new ATOM 779 N GLN A 44 -0.750 6.232 0.896 1.00 0.00 N ATOM 780 CA GLN A 44 -0.316 5.060 0.152 1.00 0.00 C ATOM 781 C GLN A 44 -1.420 4.018 0.131 1.00 0.00 C ATOM 782 O GLN A 44 -1.886 3.616 -0.925 1.00 0.00 O ATOM 783 CB GLN A 44 0.953 4.468 0.766 1.00 0.00 C ATOM 784 CG GLN A 44 1.905 5.510 1.328 1.00 0.00 C ATOM 785 CD GLN A 44 2.356 6.512 0.282 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.106 7.790 0.542 1.00 0.00 O flip ATOM 787 NE2 GLN A 44 2.924 6.142 -0.745 1.00 0.00 N flip ATOM 0 H GLN A 44 -0.426 6.264 1.863 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.094 5.364 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.673 3.778 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.474 3.884 0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.417 6.039 2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.778 5.010 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.096 5.149 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.223 6.828 -1.438 1.00 0.00 H new ATOM 796 N VAL A 45 -1.842 3.597 1.314 1.00 0.00 N ATOM 797 CA VAL A 45 -2.901 2.604 1.460 1.00 0.00 C ATOM 798 C VAL A 45 -3.989 2.754 0.400 1.00 0.00 C ATOM 799 O VAL A 45 -4.573 1.772 -0.043 1.00 0.00 O ATOM 800 CB VAL A 45 -3.541 2.716 2.844 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.540 2.308 3.905 1.00 0.00 C ATOM 802 CG2 VAL A 45 -4.032 4.135 3.086 1.00 0.00 C ATOM 0 H VAL A 45 -1.462 3.932 2.199 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.436 1.627 1.333 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.399 2.046 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.000 2.389 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.228 1.278 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.670 2.963 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.485 4.199 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.191 4.826 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.772 4.398 2.330 1.00 0.00 H new ATOM 812 N ARG A 46 -4.254 3.983 -0.015 1.00 0.00 N ATOM 813 CA ARG A 46 -5.266 4.228 -1.029 1.00 0.00 C ATOM 814 C ARG A 46 -4.699 3.996 -2.428 1.00 0.00 C ATOM 815 O ARG A 46 -5.199 3.158 -3.175 1.00 0.00 O ATOM 816 CB ARG A 46 -5.831 5.646 -0.912 1.00 0.00 C ATOM 817 CG ARG A 46 -4.815 6.695 -0.492 1.00 0.00 C ATOM 818 CD ARG A 46 -4.996 7.993 -1.263 1.00 0.00 C ATOM 819 NE ARG A 46 -6.402 8.380 -1.360 1.00 0.00 N ATOM 820 CZ ARG A 46 -7.125 8.812 -0.330 1.00 0.00 C ATOM 821 NH1 ARG A 46 -6.578 8.928 0.874 1.00 0.00 N ATOM 822 NH2 ARG A 46 -8.399 9.133 -0.505 1.00 0.00 N ATOM 0 H ARG A 46 -3.786 4.820 0.332 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.080 3.522 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.257 5.935 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.648 5.640 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.913 6.889 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.808 6.312 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.434 8.788 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.581 7.881 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.856 8.315 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.597 8.685 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.138 9.260 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.824 9.049 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.954 9.464 0.284 1.00 0.00 H new ATOM 836 N VAL A 47 -3.648 4.732 -2.779 1.00 0.00 N ATOM 837 CA VAL A 47 -3.020 4.590 -4.092 1.00 0.00 C ATOM 838 C VAL A 47 -2.332 3.236 -4.233 1.00 0.00 C ATOM 839 O VAL A 47 -2.432 2.573 -5.265 1.00 0.00 O ATOM 840 CB VAL A 47 -1.976 5.695 -4.325 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.618 7.067 -4.201 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.821 5.543 -3.342 1.00 0.00 C ATOM 0 H VAL A 47 -3.214 5.431 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.815 4.672 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.580 5.598 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.865 7.837 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.410 7.166 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.039 7.183 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.088 6.331 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.199 5.618 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.349 4.571 -3.483 1.00 0.00 H new ATOM 852 N TRP A 48 -1.625 2.848 -3.184 1.00 0.00 N ATOM 853 CA TRP A 48 -0.898 1.593 -3.155 1.00 0.00 C ATOM 854 C TRP A 48 -1.849 0.405 -3.300 1.00 0.00 C ATOM 855 O TRP A 48 -1.673 -0.428 -4.189 1.00 0.00 O ATOM 856 CB TRP A 48 -0.085 1.507 -1.860 1.00 0.00 C ATOM 857 CG TRP A 48 1.371 1.249 -2.096 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.349 2.188 -2.257 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.016 -0.025 -2.202 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.562 1.576 -2.456 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.385 0.219 -2.426 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.570 -1.346 -2.130 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.309 -0.811 -2.577 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.490 -2.367 -2.278 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.845 -2.095 -2.500 1.00 0.00 C ATOM 0 H TRP A 48 -1.540 3.396 -2.328 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.212 1.556 -4.001 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.197 2.438 -1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.492 0.712 -1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.192 3.256 -2.232 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.451 2.055 -2.602 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.526 -1.566 -1.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.355 -0.604 -2.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.157 -3.393 -2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.538 -2.916 -2.613 1.00 0.00 H new ATOM 876 N PHE A 49 -2.865 0.333 -2.441 1.00 0.00 N ATOM 877 CA PHE A 49 -3.835 -0.754 -2.513 1.00 0.00 C ATOM 878 C PHE A 49 -4.604 -0.701 -3.830 1.00 0.00 C ATOM 879 O PHE A 49 -5.044 -1.723 -4.337 1.00 0.00 O ATOM 880 CB PHE A 49 -4.828 -0.688 -1.347 1.00 0.00 C ATOM 881 CG PHE A 49 -4.213 -0.874 0.016 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.927 -1.373 0.167 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.933 -0.540 1.152 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.376 -1.534 1.426 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.388 -0.699 2.410 1.00 0.00 C ATOM 886 CZ PHE A 49 -3.109 -1.196 2.548 1.00 0.00 C ATOM 0 H PHE A 49 -3.035 1.008 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.281 -1.691 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.335 0.277 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.591 -1.453 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.350 -1.638 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.935 -0.150 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.374 -1.923 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.963 -0.434 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.681 -1.321 3.532 1.00 0.00 H new ATOM 896 N ILE A 50 -4.769 0.498 -4.383 1.00 0.00 N ATOM 897 CA ILE A 50 -5.493 0.660 -5.643 1.00 0.00 C ATOM 898 C ILE A 50 -4.933 -0.274 -6.719 1.00 0.00 C ATOM 899 O ILE A 50 -5.665 -1.075 -7.300 1.00 0.00 O ATOM 900 CB ILE A 50 -5.447 2.129 -6.134 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.659 2.899 -5.604 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.394 2.209 -7.657 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.975 2.431 -6.187 1.00 0.00 C ATOM 0 H ILE A 50 -4.414 1.367 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.534 0.395 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.536 2.584 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.696 2.800 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.530 3.959 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.363 3.254 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.502 1.697 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.280 1.733 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.789 3.021 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.958 2.556 -7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.126 1.379 -5.945 1.00 0.00 H new ATOM 915 N ASN A 51 -3.634 -0.165 -6.974 1.00 0.00 N ATOM 916 CA ASN A 51 -2.977 -1.001 -7.974 1.00 0.00 C ATOM 917 C ASN A 51 -2.724 -2.402 -7.429 1.00 0.00 C ATOM 918 O ASN A 51 -2.730 -3.382 -8.175 1.00 0.00 O ATOM 919 CB ASN A 51 -1.655 -0.365 -8.409 1.00 0.00 C ATOM 920 CG ASN A 51 -1.819 0.547 -9.609 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.656 0.122 -10.752 1.00 0.00 O ATOM 922 ND2 ASN A 51 -2.142 1.809 -9.354 1.00 0.00 N ATOM 0 H ASN A 51 -3.014 0.494 -6.502 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.637 -1.080 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.238 0.204 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.939 -1.151 -8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.265 2.469 -10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.267 2.119 -8.390 1.00 0.00 H new ATOM 929 N LYS A 52 -2.503 -2.489 -6.122 1.00 0.00 N ATOM 930 CA LYS A 52 -2.249 -3.769 -5.468 1.00 0.00 C ATOM 931 C LYS A 52 -3.551 -4.413 -4.993 1.00 0.00 C ATOM 932 O LYS A 52 -3.533 -5.380 -4.231 1.00 0.00 O ATOM 933 CB LYS A 52 -1.306 -3.569 -4.279 1.00 0.00 C ATOM 934 CG LYS A 52 0.151 -3.406 -4.682 1.00 0.00 C ATOM 935 CD LYS A 52 0.646 -4.597 -5.487 1.00 0.00 C ATOM 936 CE LYS A 52 2.160 -4.586 -5.626 1.00 0.00 C ATOM 937 NZ LYS A 52 2.626 -5.491 -6.712 1.00 0.00 N ATOM 0 H LYS A 52 -2.494 -1.687 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.783 -4.435 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.621 -2.688 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.396 -4.422 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.267 -2.495 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.765 -3.289 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.331 -5.521 -5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.189 -4.584 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.498 -3.570 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.613 -4.889 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.664 -5.454 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.326 -6.465 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.215 -5.187 -7.618 1.00 0.00 H new ATOM 951 N ARG A 53 -4.678 -3.867 -5.441 1.00 0.00 N ATOM 952 CA ARG A 53 -5.984 -4.376 -5.056 1.00 0.00 C ATOM 953 C ARG A 53 -7.091 -3.730 -5.880 1.00 0.00 C ATOM 954 O ARG A 53 -8.199 -3.531 -5.387 1.00 0.00 O ATOM 955 CB ARG A 53 -6.245 -4.104 -3.577 1.00 0.00 C ATOM 956 CG ARG A 53 -7.481 -4.812 -3.055 1.00 0.00 C ATOM 957 CD ARG A 53 -8.345 -3.882 -2.218 1.00 0.00 C ATOM 958 NE ARG A 53 -8.881 -2.775 -3.006 1.00 0.00 N ATOM 959 CZ ARG A 53 -9.456 -1.697 -2.478 1.00 0.00 C ATOM 960 NH1 ARG A 53 -9.568 -1.574 -1.161 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.921 -0.738 -3.268 1.00 0.00 N ATOM 0 H ARG A 53 -4.709 -3.068 -6.074 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.985 -5.450 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.379 -4.421 -2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.356 -3.030 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.063 -5.195 -3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.183 -5.672 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.168 -4.447 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.756 -3.486 -1.391 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.810 -2.832 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.212 -2.308 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.010 -0.746 -0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.838 -0.827 -4.281 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.362 0.088 -2.863 1.00 0.00 H new ATOM 975 N MET A 54 -6.789 -3.397 -7.132 1.00 0.00 N ATOM 976 CA MET A 54 -7.770 -2.768 -8.010 1.00 0.00 C ATOM 977 C MET A 54 -9.055 -3.592 -8.073 1.00 0.00 C ATOM 978 O MET A 54 -9.241 -4.405 -8.978 1.00 0.00 O ATOM 979 CB MET A 54 -7.188 -2.590 -9.414 1.00 0.00 C ATOM 980 CG MET A 54 -7.478 -1.228 -10.022 1.00 0.00 C ATOM 981 SD MET A 54 -7.678 -1.297 -11.813 1.00 0.00 S ATOM 982 CE MET A 54 -7.181 0.361 -12.270 1.00 0.00 C ATOM 0 H MET A 54 -5.876 -3.552 -7.560 1.00 0.00 H new ATOM 0 HA MET A 54 -8.013 -1.788 -7.600 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.109 -2.738 -9.373 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.592 -3.364 -10.067 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.384 -0.820 -9.574 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.665 -0.544 -9.777 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.250 0.477 -13.352 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.837 1.084 -11.785 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.153 0.533 -11.952 1.00 0.00 H new