USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 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 41 THR OG1 : rot 180:sc= -1.87 USER MOD Set 1.2: A 44 GLN : amide:sc= -2.55 K(o=-4.4,f=-3.7) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 GLN : amide:sc= -2 K(o=-11,f=-8.9) USER MOD Set 3.2: A 38 CYS SG : rot -40:sc= -9.3! USER MOD Single : A 9 SER OG : rot 12:sc= 0.826 USER MOD Single : A 11 GLN : amide:sc= -0.695 K(o=-0.7,f=-0.013) USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= -1.26 (180deg=-4.44!) USER MOD Single : A 24 GLN : amide:sc= -3.25! C(o=-3.2!,f=-1.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.35 K(o=-2.3,f=-0.57) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.052) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0264) USER MOD Single : A 51 ASN : amide:sc= -0.0457 K(o=-0.046,f=-0.83) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -175:sc= 0 (180deg=-0.0328) USER MOD ----------------------------------------------------------------- ATOM 201 N SER A 9 12.265 -0.899 0.167 1.00 0.00 N ATOM 202 CA SER A 9 12.960 -2.177 0.294 1.00 0.00 C ATOM 203 C SER A 9 12.046 -3.317 -0.163 1.00 0.00 C ATOM 204 O SER A 9 10.923 -3.067 -0.601 1.00 0.00 O ATOM 205 CB SER A 9 13.388 -2.382 1.752 1.00 0.00 C ATOM 206 OG SER A 9 13.110 -1.233 2.534 1.00 0.00 O ATOM 0 HA SER A 9 13.848 -2.173 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.867 -3.244 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.454 -2.604 1.793 1.00 0.00 H new ATOM 0 HG SER A 9 12.530 -0.626 2.029 1.00 0.00 H new ATOM 212 N PRO A 10 12.484 -4.590 -0.059 1.00 0.00 N ATOM 213 CA PRO A 10 11.651 -5.725 -0.461 1.00 0.00 C ATOM 214 C PRO A 10 10.277 -5.653 0.194 1.00 0.00 C ATOM 215 O PRO A 10 9.304 -6.214 -0.307 1.00 0.00 O ATOM 216 CB PRO A 10 12.425 -6.955 0.034 1.00 0.00 C ATOM 217 CG PRO A 10 13.465 -6.419 0.959 1.00 0.00 C ATOM 218 CD PRO A 10 13.781 -5.036 0.466 1.00 0.00 C ATOM 0 HA PRO A 10 11.472 -5.747 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.765 -7.655 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.878 -7.495 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.099 -6.394 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.355 -7.049 0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.140 -4.390 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.551 -5.045 -0.305 1.00 0.00 H new ATOM 226 N GLN A 11 10.212 -4.936 1.315 1.00 0.00 N ATOM 227 CA GLN A 11 8.969 -4.755 2.048 1.00 0.00 C ATOM 228 C GLN A 11 7.852 -4.307 1.118 1.00 0.00 C ATOM 229 O GLN A 11 6.682 -4.544 1.392 1.00 0.00 O ATOM 230 CB GLN A 11 9.161 -3.723 3.158 1.00 0.00 C ATOM 231 CG GLN A 11 10.117 -4.167 4.254 1.00 0.00 C ATOM 232 CD GLN A 11 10.343 -3.090 5.297 1.00 0.00 C ATOM 233 OE1 GLN A 11 10.373 -3.366 6.495 1.00 0.00 O ATOM 234 NE2 GLN A 11 10.504 -1.852 4.842 1.00 0.00 N ATOM 0 H GLN A 11 11.016 -4.469 1.735 1.00 0.00 H new ATOM 0 HA GLN A 11 8.691 -5.712 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.532 -2.797 2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.192 -3.499 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.721 -5.060 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.073 -4.443 3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.472 -1.669 3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.660 -1.085 5.496 1.00 0.00 H new ATOM 243 N ALA A 12 8.207 -3.667 0.007 1.00 0.00 N ATOM 244 CA ALA A 12 7.204 -3.215 -0.949 1.00 0.00 C ATOM 245 C ALA A 12 6.172 -4.316 -1.178 1.00 0.00 C ATOM 246 O ALA A 12 4.973 -4.124 -0.967 1.00 0.00 O ATOM 247 CB ALA A 12 7.862 -2.817 -2.262 1.00 0.00 C ATOM 0 H ALA A 12 9.170 -3.452 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 12 6.698 -2.339 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.099 -2.482 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.571 -2.008 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.388 -3.675 -2.680 1.00 0.00 H new ATOM 253 N ARG A 13 6.665 -5.480 -1.583 1.00 0.00 N ATOM 254 CA ARG A 13 5.812 -6.635 -1.822 1.00 0.00 C ATOM 255 C ARG A 13 5.489 -7.344 -0.509 1.00 0.00 C ATOM 256 O ARG A 13 4.378 -7.833 -0.318 1.00 0.00 O ATOM 257 CB ARG A 13 6.498 -7.610 -2.784 1.00 0.00 C ATOM 258 CG ARG A 13 7.692 -8.329 -2.173 1.00 0.00 C ATOM 259 CD ARG A 13 8.777 -8.588 -3.204 1.00 0.00 C ATOM 260 NE ARG A 13 9.494 -9.834 -2.945 1.00 0.00 N ATOM 261 CZ ARG A 13 8.991 -11.042 -3.186 1.00 0.00 C ATOM 262 NH1 ARG A 13 7.772 -11.172 -3.696 1.00 0.00 N ATOM 263 NH2 ARG A 13 9.709 -12.124 -2.919 1.00 0.00 N ATOM 0 H ARG A 13 7.657 -5.648 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 13 4.881 -6.287 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.771 -8.350 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.827 -7.064 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.099 -7.731 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.366 -9.275 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.331 -8.627 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.483 -7.757 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 13 10.435 -9.775 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.216 -10.343 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.392 -12.101 -3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.647 -12.030 -2.529 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.324 -13.050 -3.104 1.00 0.00 H new ATOM 277 N ALA A 14 6.473 -7.400 0.387 1.00 0.00 N ATOM 278 CA ALA A 14 6.303 -8.057 1.680 1.00 0.00 C ATOM 279 C ALA A 14 5.246 -7.357 2.525 1.00 0.00 C ATOM 280 O ALA A 14 4.267 -7.972 2.950 1.00 0.00 O ATOM 281 CB ALA A 14 7.631 -8.105 2.421 1.00 0.00 C ATOM 0 H ALA A 14 7.398 -6.997 0.240 1.00 0.00 H new ATOM 0 HA ALA A 14 5.960 -9.076 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.493 -8.597 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.358 -8.662 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.995 -7.090 2.581 1.00 0.00 H new ATOM 287 N PHE A 15 5.446 -6.066 2.764 1.00 0.00 N ATOM 288 CA PHE A 15 4.511 -5.279 3.552 1.00 0.00 C ATOM 289 C PHE A 15 3.108 -5.407 2.977 1.00 0.00 C ATOM 290 O PHE A 15 2.165 -5.735 3.691 1.00 0.00 O ATOM 291 CB PHE A 15 4.968 -3.808 3.628 1.00 0.00 C ATOM 292 CG PHE A 15 4.319 -2.870 2.636 1.00 0.00 C ATOM 293 CD1 PHE A 15 2.971 -2.557 2.732 1.00 0.00 C ATOM 294 CD2 PHE A 15 5.061 -2.296 1.614 1.00 0.00 C ATOM 295 CE1 PHE A 15 2.377 -1.697 1.828 1.00 0.00 C ATOM 296 CE2 PHE A 15 4.472 -1.434 0.708 1.00 0.00 C ATOM 297 CZ PHE A 15 3.129 -1.135 0.815 1.00 0.00 C ATOM 0 H PHE A 15 6.251 -5.542 2.421 1.00 0.00 H new ATOM 0 HA PHE A 15 4.491 -5.664 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.772 -3.437 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.047 -3.774 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.378 -2.991 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.113 -2.526 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.326 -1.465 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.062 -0.995 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.667 -0.462 0.108 1.00 0.00 H new ATOM 307 N LEU A 16 2.980 -5.171 1.677 1.00 0.00 N ATOM 308 CA LEU A 16 1.687 -5.290 1.023 1.00 0.00 C ATOM 309 C LEU A 16 1.216 -6.734 1.082 1.00 0.00 C ATOM 310 O LEU A 16 0.021 -7.006 1.202 1.00 0.00 O ATOM 311 CB LEU A 16 1.761 -4.825 -0.431 1.00 0.00 C ATOM 312 CG LEU A 16 0.498 -5.095 -1.256 1.00 0.00 C ATOM 313 CD1 LEU A 16 -0.366 -3.847 -1.333 1.00 0.00 C ATOM 314 CD2 LEU A 16 0.864 -5.587 -2.649 1.00 0.00 C ATOM 0 H LEU A 16 3.747 -4.899 1.062 1.00 0.00 H new ATOM 0 HA LEU A 16 0.976 -4.651 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.966 -3.755 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.605 -5.318 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.077 -5.877 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.258 -4.058 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.659 -3.545 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.198 -3.042 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.046 -5.773 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.462 -4.830 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.438 -6.510 -2.570 1.00 0.00 H new ATOM 326 N GLU A 17 2.169 -7.661 1.006 1.00 0.00 N ATOM 327 CA GLU A 17 1.851 -9.081 1.062 1.00 0.00 C ATOM 328 C GLU A 17 0.980 -9.375 2.272 1.00 0.00 C ATOM 329 O GLU A 17 -0.191 -9.726 2.135 1.00 0.00 O ATOM 330 CB GLU A 17 3.132 -9.921 1.122 1.00 0.00 C ATOM 331 CG GLU A 17 3.334 -10.815 -0.091 1.00 0.00 C ATOM 332 CD GLU A 17 3.229 -10.060 -1.402 1.00 0.00 C ATOM 333 OE1 GLU A 17 2.092 -9.830 -1.866 1.00 0.00 O ATOM 334 OE2 GLU A 17 4.284 -9.698 -1.965 1.00 0.00 O ATOM 0 H GLU A 17 3.163 -7.453 0.906 1.00 0.00 H new ATOM 0 HA GLU A 17 1.305 -9.346 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.989 -9.254 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.108 -10.540 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.313 -11.289 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.592 -11.613 -0.076 1.00 0.00 H new ATOM 341 N GLN A 18 1.559 -9.215 3.455 1.00 0.00 N ATOM 342 CA GLN A 18 0.838 -9.455 4.697 1.00 0.00 C ATOM 343 C GLN A 18 -0.399 -8.564 4.795 1.00 0.00 C ATOM 344 O GLN A 18 -1.434 -8.986 5.306 1.00 0.00 O ATOM 345 CB GLN A 18 1.755 -9.233 5.904 1.00 0.00 C ATOM 346 CG GLN A 18 2.758 -8.106 5.722 1.00 0.00 C ATOM 347 CD GLN A 18 2.763 -7.132 6.882 1.00 0.00 C ATOM 348 OE1 GLN A 18 2.759 -7.533 8.046 1.00 0.00 O ATOM 349 NE2 GLN A 18 2.770 -5.842 6.569 1.00 0.00 N ATOM 0 H GLN A 18 2.527 -8.920 3.580 1.00 0.00 H new ATOM 0 HA GLN A 18 0.508 -10.494 4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.141 -9.021 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.296 -10.157 6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.756 -8.529 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.530 -7.567 4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.773 -5.555 5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.772 -5.138 7.307 1.00 0.00 H new ATOM 358 N VAL A 19 -0.296 -7.335 4.288 1.00 0.00 N ATOM 359 CA VAL A 19 -1.427 -6.409 4.313 1.00 0.00 C ATOM 360 C VAL A 19 -2.634 -7.040 3.625 1.00 0.00 C ATOM 361 O VAL A 19 -3.634 -7.358 4.268 1.00 0.00 O ATOM 362 CB VAL A 19 -1.081 -5.067 3.628 1.00 0.00 C ATOM 363 CG1 VAL A 19 -2.307 -4.171 3.509 1.00 0.00 C ATOM 364 CG2 VAL A 19 0.020 -4.351 4.391 1.00 0.00 C ATOM 0 H VAL A 19 0.550 -6.961 3.859 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.664 -6.204 5.357 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.728 -5.289 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.028 -3.236 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.070 -4.675 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.701 -3.960 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.252 -3.408 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.313 -4.154 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.912 -4.977 4.415 1.00 0.00 H new ATOM 374 N PHE A 20 -2.525 -7.228 2.314 1.00 0.00 N ATOM 375 CA PHE A 20 -3.598 -7.835 1.535 1.00 0.00 C ATOM 376 C PHE A 20 -3.894 -9.261 2.009 1.00 0.00 C ATOM 377 O PHE A 20 -4.934 -9.826 1.678 1.00 0.00 O ATOM 378 CB PHE A 20 -3.219 -7.854 0.055 1.00 0.00 C ATOM 379 CG PHE A 20 -4.277 -8.445 -0.834 1.00 0.00 C ATOM 380 CD1 PHE A 20 -4.356 -9.816 -1.022 1.00 0.00 C ATOM 381 CD2 PHE A 20 -5.189 -7.630 -1.485 1.00 0.00 C ATOM 382 CE1 PHE A 20 -5.325 -10.363 -1.840 1.00 0.00 C ATOM 383 CE2 PHE A 20 -6.161 -8.171 -2.305 1.00 0.00 C ATOM 384 CZ PHE A 20 -6.229 -9.540 -2.482 1.00 0.00 C ATOM 0 H PHE A 20 -1.703 -6.968 1.768 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.497 -7.235 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.012 -6.835 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.296 -8.421 -0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.651 -10.464 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.140 -6.560 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.376 -11.433 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.866 -7.525 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.988 -9.966 -3.122 1.00 0.00 H new ATOM 394 N ARG A 21 -2.973 -9.840 2.777 1.00 0.00 N ATOM 395 CA ARG A 21 -3.148 -11.199 3.284 1.00 0.00 C ATOM 396 C ARG A 21 -4.044 -11.211 4.517 1.00 0.00 C ATOM 397 O ARG A 21 -4.852 -12.122 4.702 1.00 0.00 O ATOM 398 CB ARG A 21 -1.792 -11.817 3.627 1.00 0.00 C ATOM 399 CG ARG A 21 -1.586 -13.204 3.040 1.00 0.00 C ATOM 400 CD ARG A 21 -0.857 -13.137 1.708 1.00 0.00 C ATOM 401 NE ARG A 21 -0.594 -14.466 1.158 1.00 0.00 N ATOM 402 CZ ARG A 21 -0.148 -14.681 -0.076 1.00 0.00 C ATOM 403 NH1 ARG A 21 0.083 -13.662 -0.893 1.00 0.00 N ATOM 404 NH2 ARG A 21 0.067 -15.921 -0.497 1.00 0.00 N ATOM 0 H ARG A 21 -2.102 -9.392 3.061 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.625 -11.790 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.001 -11.159 3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.692 -11.872 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.016 -13.816 3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.552 -13.691 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.452 -12.562 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.086 -12.606 1.837 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.762 -15.275 1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.081 -12.707 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.425 -13.834 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.110 -16.709 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.409 -16.086 -1.444 1.00 0.00 H new ATOM 418 N ARG A 22 -3.893 -10.195 5.359 1.00 0.00 N ATOM 419 CA ARG A 22 -4.684 -10.088 6.578 1.00 0.00 C ATOM 420 C ARG A 22 -6.168 -10.020 6.250 1.00 0.00 C ATOM 421 O ARG A 22 -7.003 -10.579 6.962 1.00 0.00 O ATOM 422 CB ARG A 22 -4.267 -8.846 7.362 1.00 0.00 C ATOM 423 CG ARG A 22 -2.960 -9.016 8.120 1.00 0.00 C ATOM 424 CD ARG A 22 -2.622 -7.778 8.934 1.00 0.00 C ATOM 425 NE ARG A 22 -3.429 -7.683 10.149 1.00 0.00 N ATOM 426 CZ ARG A 22 -4.616 -7.082 10.210 1.00 0.00 C ATOM 427 NH1 ARG A 22 -5.145 -6.523 9.128 1.00 0.00 N ATOM 428 NH2 ARG A 22 -5.278 -7.042 11.358 1.00 0.00 N ATOM 0 H ARG A 22 -3.229 -9.433 5.219 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.504 -10.974 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.171 -8.007 6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.057 -8.590 8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.032 -9.879 8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.154 -9.221 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.565 -7.798 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.780 -6.889 8.324 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.060 -8.103 11.002 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.642 -6.552 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.055 -6.065 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.878 -7.471 12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.187 -6.582 11.407 1.00 0.00 H new ATOM 442 N LYS A 23 -6.486 -9.327 5.165 1.00 0.00 N ATOM 443 CA LYS A 23 -7.867 -9.175 4.726 1.00 0.00 C ATOM 444 C LYS A 23 -7.913 -8.677 3.282 1.00 0.00 C ATOM 445 O LYS A 23 -7.014 -8.970 2.497 1.00 0.00 O ATOM 446 CB LYS A 23 -8.613 -8.220 5.662 1.00 0.00 C ATOM 447 CG LYS A 23 -8.071 -6.798 5.635 1.00 0.00 C ATOM 448 CD LYS A 23 -8.708 -5.905 6.699 1.00 0.00 C ATOM 449 CE LYS A 23 -9.126 -6.683 7.939 1.00 0.00 C ATOM 450 NZ LYS A 23 -7.972 -7.375 8.581 1.00 0.00 N ATOM 0 H LYS A 23 -5.803 -8.859 4.570 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.361 -10.146 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.668 -8.204 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.555 -8.603 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.992 -6.822 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.247 -6.365 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.002 -5.125 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.580 -5.406 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.585 -6.002 8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.884 -7.418 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.216 -8.372 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.144 -7.323 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.751 -6.914 9.487 1.00 0.00 H new ATOM 464 N GLN A 24 -8.956 -7.935 2.922 1.00 0.00 N ATOM 465 CA GLN A 24 -9.084 -7.428 1.561 1.00 0.00 C ATOM 466 C GLN A 24 -9.654 -6.017 1.543 1.00 0.00 C ATOM 467 O GLN A 24 -9.157 -5.142 0.835 1.00 0.00 O ATOM 468 CB GLN A 24 -9.982 -8.351 0.734 1.00 0.00 C ATOM 469 CG GLN A 24 -9.747 -9.831 0.990 1.00 0.00 C ATOM 470 CD GLN A 24 -8.525 -10.364 0.266 1.00 0.00 C ATOM 471 OE1 GLN A 24 -8.394 -10.208 -0.947 1.00 0.00 O ATOM 472 NE2 GLN A 24 -7.626 -10.997 1.009 1.00 0.00 N ATOM 0 H GLN A 24 -9.718 -7.674 3.548 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.085 -7.401 1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.024 -8.116 0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.821 -8.145 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.630 -9.996 2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.625 -10.394 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.777 -11.103 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.784 -11.378 0.577 1.00 0.00 H new ATOM 481 N SER A 25 -10.714 -5.811 2.310 1.00 0.00 N ATOM 482 CA SER A 25 -11.375 -4.513 2.368 1.00 0.00 C ATOM 483 C SER A 25 -10.706 -3.567 3.365 1.00 0.00 C ATOM 484 O SER A 25 -11.215 -3.352 4.465 1.00 0.00 O ATOM 485 CB SER A 25 -12.848 -4.697 2.732 1.00 0.00 C ATOM 486 OG SER A 25 -13.564 -3.481 2.592 1.00 0.00 O ATOM 0 H SER A 25 -11.136 -6.526 2.902 1.00 0.00 H new ATOM 0 HA SER A 25 -11.291 -4.058 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.292 -5.460 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.930 -5.055 3.758 1.00 0.00 H new ATOM 0 HG SER A 25 -14.504 -3.626 2.829 1.00 0.00 H new ATOM 492 N LEU A 26 -9.579 -2.984 2.964 1.00 0.00 N ATOM 493 CA LEU A 26 -8.866 -2.037 3.819 1.00 0.00 C ATOM 494 C LEU A 26 -9.526 -0.662 3.730 1.00 0.00 C ATOM 495 O LEU A 26 -9.452 0.003 2.696 1.00 0.00 O ATOM 496 CB LEU A 26 -7.388 -1.931 3.408 1.00 0.00 C ATOM 497 CG LEU A 26 -6.552 -3.217 3.531 1.00 0.00 C ATOM 498 CD1 LEU A 26 -5.129 -2.893 3.973 1.00 0.00 C ATOM 499 CD2 LEU A 26 -7.192 -4.200 4.499 1.00 0.00 C ATOM 0 H LEU A 26 -9.141 -3.149 2.058 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.913 -2.399 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.344 -1.592 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.918 -1.158 4.016 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.516 -3.684 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.554 -3.816 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.661 -2.237 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.154 -2.395 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.578 -5.098 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.270 -3.741 5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.187 -4.466 4.143 1.00 0.00 H new ATOM 511 N ASN A 27 -10.183 -0.243 4.810 1.00 0.00 N ATOM 512 CA ASN A 27 -10.863 1.051 4.831 1.00 0.00 C ATOM 513 C ASN A 27 -9.999 2.121 5.492 1.00 0.00 C ATOM 514 O ASN A 27 -8.855 1.866 5.858 1.00 0.00 O ATOM 515 CB ASN A 27 -12.220 0.954 5.547 1.00 0.00 C ATOM 516 CG ASN A 27 -12.290 -0.184 6.549 1.00 0.00 C ATOM 517 OD1 ASN A 27 -12.959 -1.191 6.318 1.00 0.00 O ATOM 518 ND2 ASN A 27 -11.597 -0.025 7.668 1.00 0.00 N ATOM 0 H ASN A 27 -10.259 -0.776 5.676 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.037 1.340 3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.420 1.894 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.007 0.823 4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.604 -0.755 8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.056 0.827 7.816 1.00 0.00 H new ATOM 525 N SER A 28 -10.555 3.321 5.636 1.00 0.00 N ATOM 526 CA SER A 28 -9.837 4.439 6.247 1.00 0.00 C ATOM 527 C SER A 28 -9.181 4.028 7.562 1.00 0.00 C ATOM 528 O SER A 28 -8.135 4.554 7.941 1.00 0.00 O ATOM 529 CB SER A 28 -10.788 5.613 6.486 1.00 0.00 C ATOM 530 OG SER A 28 -10.799 6.496 5.377 1.00 0.00 O ATOM 0 H SER A 28 -11.504 3.546 5.337 1.00 0.00 H new ATOM 0 HA SER A 28 -9.051 4.745 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.795 5.238 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.485 6.154 7.382 1.00 0.00 H new ATOM 0 HG SER A 28 -11.416 7.237 5.555 1.00 0.00 H new ATOM 536 N LYS A 29 -9.804 3.085 8.252 1.00 0.00 N ATOM 537 CA LYS A 29 -9.287 2.599 9.520 1.00 0.00 C ATOM 538 C LYS A 29 -8.120 1.650 9.296 1.00 0.00 C ATOM 539 O LYS A 29 -7.067 1.783 9.915 1.00 0.00 O ATOM 540 CB LYS A 29 -10.396 1.883 10.285 1.00 0.00 C ATOM 541 CG LYS A 29 -11.560 2.783 10.669 1.00 0.00 C ATOM 542 CD LYS A 29 -11.083 4.094 11.272 1.00 0.00 C ATOM 543 CE LYS A 29 -11.139 5.229 10.260 1.00 0.00 C ATOM 544 NZ LYS A 29 -11.762 6.454 10.834 1.00 0.00 N ATOM 0 H LYS A 29 -10.672 2.640 7.953 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.933 3.450 10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.771 1.060 9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.975 1.444 11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.168 2.988 9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.200 2.265 11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.700 4.344 12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.061 3.978 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.130 5.461 9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.706 4.909 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.781 7.204 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.734 6.240 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.207 6.775 11.653 1.00 0.00 H new ATOM 558 N GLU A 30 -8.315 0.698 8.398 1.00 0.00 N ATOM 559 CA GLU A 30 -7.286 -0.273 8.076 1.00 0.00 C ATOM 560 C GLU A 30 -6.165 0.396 7.310 1.00 0.00 C ATOM 561 O GLU A 30 -4.999 0.114 7.524 1.00 0.00 O ATOM 562 CB GLU A 30 -7.868 -1.414 7.244 1.00 0.00 C ATOM 563 CG GLU A 30 -9.173 -1.965 7.799 1.00 0.00 C ATOM 564 CD GLU A 30 -8.991 -3.277 8.536 1.00 0.00 C ATOM 565 OE1 GLU A 30 -7.832 -3.717 8.697 1.00 0.00 O ATOM 566 OE2 GLU A 30 -10.010 -3.865 8.956 1.00 0.00 O ATOM 0 H GLU A 30 -9.183 0.578 7.877 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.893 -0.682 9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.035 -1.062 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.137 -2.221 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.613 -1.232 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.879 -2.108 6.981 1.00 0.00 H new ATOM 573 N LYS A 31 -6.532 1.299 6.421 1.00 0.00 N ATOM 574 CA LYS A 31 -5.556 2.021 5.631 1.00 0.00 C ATOM 575 C LYS A 31 -4.596 2.776 6.546 1.00 0.00 C ATOM 576 O LYS A 31 -3.415 2.917 6.246 1.00 0.00 O ATOM 577 CB LYS A 31 -6.277 2.975 4.679 1.00 0.00 C ATOM 578 CG LYS A 31 -6.454 4.379 5.229 1.00 0.00 C ATOM 579 CD LYS A 31 -7.054 5.308 4.192 1.00 0.00 C ATOM 580 CE LYS A 31 -7.391 6.665 4.787 1.00 0.00 C ATOM 581 NZ LYS A 31 -8.056 7.557 3.797 1.00 0.00 N ATOM 0 H LYS A 31 -7.502 1.550 6.228 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.970 1.318 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.719 3.030 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.258 2.563 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.098 4.348 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.489 4.768 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.353 5.435 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.956 4.858 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.043 6.531 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.479 7.140 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.269 8.472 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.424 7.706 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.940 7.116 3.471 1.00 0.00 H new ATOM 595 N GLU A 32 -5.120 3.256 7.668 1.00 0.00 N ATOM 596 CA GLU A 32 -4.317 3.994 8.635 1.00 0.00 C ATOM 597 C GLU A 32 -3.740 3.052 9.690 1.00 0.00 C ATOM 598 O GLU A 32 -2.611 3.228 10.147 1.00 0.00 O ATOM 599 CB GLU A 32 -5.167 5.082 9.298 1.00 0.00 C ATOM 600 CG GLU A 32 -6.161 4.555 10.324 1.00 0.00 C ATOM 601 CD GLU A 32 -6.815 5.663 11.125 1.00 0.00 C ATOM 602 OE1 GLU A 32 -6.199 6.131 12.105 1.00 0.00 O ATOM 603 OE2 GLU A 32 -7.944 6.065 10.771 1.00 0.00 O ATOM 0 H GLU A 32 -6.100 3.147 7.931 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.486 4.465 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.505 5.799 9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.712 5.624 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.932 3.977 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.649 3.874 11.004 1.00 0.00 H new ATOM 610 N GLU A 33 -4.527 2.051 10.067 1.00 0.00 N ATOM 611 CA GLU A 33 -4.113 1.070 11.062 1.00 0.00 C ATOM 612 C GLU A 33 -3.094 0.102 10.471 1.00 0.00 C ATOM 613 O GLU A 33 -2.173 -0.346 11.151 1.00 0.00 O ATOM 614 CB GLU A 33 -5.334 0.299 11.558 1.00 0.00 C ATOM 615 CG GLU A 33 -6.289 1.140 12.387 1.00 0.00 C ATOM 616 CD GLU A 33 -6.064 0.980 13.878 1.00 0.00 C ATOM 617 OE1 GLU A 33 -6.166 -0.161 14.376 1.00 0.00 O ATOM 618 OE2 GLU A 33 -5.784 1.997 14.549 1.00 0.00 O ATOM 0 H GLU A 33 -5.464 1.897 9.694 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.647 1.593 11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.871 -0.106 10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.000 -0.550 12.154 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.172 2.189 12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.315 0.861 12.146 1.00 0.00 H new ATOM 625 N VAL A 34 -3.279 -0.210 9.196 1.00 0.00 N ATOM 626 CA VAL A 34 -2.397 -1.119 8.476 1.00 0.00 C ATOM 627 C VAL A 34 -1.130 -0.395 8.035 1.00 0.00 C ATOM 628 O VAL A 34 -0.032 -0.950 8.091 1.00 0.00 O ATOM 629 CB VAL A 34 -3.113 -1.719 7.241 1.00 0.00 C ATOM 630 CG1 VAL A 34 -2.177 -2.584 6.410 1.00 0.00 C ATOM 631 CG2 VAL A 34 -4.327 -2.524 7.675 1.00 0.00 C ATOM 0 H VAL A 34 -4.044 0.159 8.631 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.127 -1.930 9.152 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.439 -0.889 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.718 -2.986 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.339 -1.981 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.803 -3.406 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.821 -2.940 6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.010 -3.335 8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.022 -1.875 8.209 1.00 0.00 H new ATOM 641 N ALA A 35 -1.293 0.846 7.593 1.00 0.00 N ATOM 642 CA ALA A 35 -0.163 1.648 7.135 1.00 0.00 C ATOM 643 C ALA A 35 0.846 1.909 8.251 1.00 0.00 C ATOM 644 O ALA A 35 2.037 2.076 7.992 1.00 0.00 O ATOM 645 CB ALA A 35 -0.651 2.967 6.565 1.00 0.00 C ATOM 0 H ALA A 35 -2.195 1.319 7.542 1.00 0.00 H new ATOM 0 HA ALA A 35 0.343 1.077 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.202 3.555 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.316 2.776 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.190 3.519 7.335 1.00 0.00 H new ATOM 651 N LYS A 36 0.362 1.968 9.486 1.00 0.00 N ATOM 652 CA LYS A 36 1.225 2.240 10.633 1.00 0.00 C ATOM 653 C LYS A 36 1.849 0.970 11.208 1.00 0.00 C ATOM 654 O LYS A 36 2.850 1.037 11.921 1.00 0.00 O ATOM 655 CB LYS A 36 0.429 2.960 11.720 1.00 0.00 C ATOM 656 CG LYS A 36 -0.669 2.107 12.336 1.00 0.00 C ATOM 657 CD LYS A 36 -1.447 2.875 13.392 1.00 0.00 C ATOM 658 CE LYS A 36 -0.614 3.105 14.643 1.00 0.00 C ATOM 659 NZ LYS A 36 -0.106 4.503 14.726 1.00 0.00 N ATOM 0 H LYS A 36 -0.621 1.832 9.720 1.00 0.00 H new ATOM 0 HA LYS A 36 2.040 2.873 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.112 3.282 12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.016 3.860 11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.350 1.770 11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.230 1.215 12.783 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.765 3.835 12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.351 2.324 13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.216 2.885 15.525 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.228 2.412 14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.651 4.556 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.269 4.792 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.883 5.139 14.998 1.00 0.00 H new ATOM 673 N LYS A 37 1.261 -0.182 10.911 1.00 0.00 N ATOM 674 CA LYS A 37 1.778 -1.448 11.424 1.00 0.00 C ATOM 675 C LYS A 37 2.470 -2.254 10.330 1.00 0.00 C ATOM 676 O LYS A 37 3.289 -3.127 10.617 1.00 0.00 O ATOM 677 CB LYS A 37 0.650 -2.272 12.049 1.00 0.00 C ATOM 678 CG LYS A 37 -0.328 -2.843 11.034 1.00 0.00 C ATOM 679 CD LYS A 37 -1.329 -3.782 11.688 1.00 0.00 C ATOM 680 CE LYS A 37 -0.983 -5.239 11.423 1.00 0.00 C ATOM 681 NZ LYS A 37 0.156 -5.700 12.263 1.00 0.00 N ATOM 0 H LYS A 37 0.432 -0.268 10.323 1.00 0.00 H new ATOM 0 HA LYS A 37 2.518 -1.216 12.190 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.085 -3.091 12.621 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.103 -1.646 12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.860 -2.028 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.222 -3.378 10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.350 -3.602 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.329 -3.570 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.856 -5.861 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.733 -5.367 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.306 -6.718 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.017 -5.181 11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.058 -5.523 13.265 1.00 0.00 H new ATOM 695 N CYS A 38 2.135 -1.965 9.079 1.00 0.00 N ATOM 696 CA CYS A 38 2.726 -2.675 7.954 1.00 0.00 C ATOM 697 C CYS A 38 3.857 -1.869 7.324 1.00 0.00 C ATOM 698 O CYS A 38 4.777 -2.436 6.733 1.00 0.00 O ATOM 699 CB CYS A 38 1.656 -2.997 6.912 1.00 0.00 C ATOM 700 SG CYS A 38 0.356 -4.097 7.519 1.00 0.00 S ATOM 0 H CYS A 38 1.459 -1.246 8.819 1.00 0.00 H new ATOM 0 HA CYS A 38 3.148 -3.608 8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.202 -2.066 6.571 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.132 -3.456 6.045 1.00 0.00 H new ATOM 0 HG CYS A 38 0.883 -5.022 8.265 1.00 0.00 H new ATOM 706 N GLY A 39 3.794 -0.547 7.459 1.00 0.00 N ATOM 707 CA GLY A 39 4.837 0.297 6.901 1.00 0.00 C ATOM 708 C GLY A 39 4.365 1.143 5.735 1.00 0.00 C ATOM 709 O GLY A 39 5.163 1.530 4.882 1.00 0.00 O ATOM 0 H GLY A 39 3.046 -0.048 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.222 0.951 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.666 -0.330 6.573 1.00 0.00 H new ATOM 713 N ILE A 40 3.072 1.443 5.700 1.00 0.00 N ATOM 714 CA ILE A 40 2.512 2.264 4.633 1.00 0.00 C ATOM 715 C ILE A 40 2.046 3.604 5.195 1.00 0.00 C ATOM 716 O ILE A 40 2.365 3.950 6.333 1.00 0.00 O ATOM 717 CB ILE A 40 1.331 1.570 3.907 1.00 0.00 C ATOM 718 CG1 ILE A 40 1.199 0.103 4.322 1.00 0.00 C ATOM 719 CG2 ILE A 40 1.508 1.663 2.398 1.00 0.00 C ATOM 720 CD1 ILE A 40 -0.112 -0.518 3.892 1.00 0.00 C ATOM 0 H ILE A 40 2.394 1.132 6.395 1.00 0.00 H new ATOM 0 HA ILE A 40 3.304 2.418 3.900 1.00 0.00 H new ATOM 0 HB ILE A 40 0.418 2.089 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.023 -0.466 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.292 0.028 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.671 1.171 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.542 2.711 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.438 1.174 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.145 -1.558 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.939 0.029 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.197 -0.473 2.806 1.00 0.00 H new ATOM 732 N THR A 41 1.294 4.359 4.403 1.00 0.00 N ATOM 733 CA THR A 41 0.799 5.659 4.846 1.00 0.00 C ATOM 734 C THR A 41 -0.612 5.917 4.322 1.00 0.00 C ATOM 735 O THR A 41 -1.020 5.355 3.306 1.00 0.00 O ATOM 736 CB THR A 41 1.743 6.774 4.386 1.00 0.00 C ATOM 737 OG1 THR A 41 2.931 6.234 3.834 1.00 0.00 O ATOM 738 CG2 THR A 41 2.144 7.715 5.502 1.00 0.00 C ATOM 0 H THR A 41 1.015 4.097 3.458 1.00 0.00 H new ATOM 0 HA THR A 41 0.763 5.652 5.935 1.00 0.00 H new ATOM 0 HB THR A 41 1.182 7.336 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.519 6.963 3.545 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.813 8.481 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.254 8.188 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.655 7.154 6.285 1.00 0.00 H new ATOM 746 N PRO A 42 -1.377 6.781 5.014 1.00 0.00 N ATOM 747 CA PRO A 42 -2.748 7.117 4.616 1.00 0.00 C ATOM 748 C PRO A 42 -2.843 7.512 3.146 1.00 0.00 C ATOM 749 O PRO A 42 -3.897 7.381 2.526 1.00 0.00 O ATOM 750 CB PRO A 42 -3.097 8.304 5.515 1.00 0.00 C ATOM 751 CG PRO A 42 -2.244 8.125 6.722 1.00 0.00 C ATOM 752 CD PRO A 42 -0.966 7.498 6.237 1.00 0.00 C ATOM 0 HA PRO A 42 -3.425 6.270 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.888 9.252 5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.156 8.307 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.050 9.081 7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.737 7.488 7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.205 8.249 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.545 6.819 6.978 1.00 0.00 H new ATOM 760 N LEU A 43 -1.734 7.995 2.596 1.00 0.00 N ATOM 761 CA LEU A 43 -1.685 8.407 1.197 1.00 0.00 C ATOM 762 C LEU A 43 -1.296 7.231 0.303 1.00 0.00 C ATOM 763 O LEU A 43 -1.651 7.186 -0.878 1.00 0.00 O ATOM 764 CB LEU A 43 -0.700 9.571 1.025 1.00 0.00 C ATOM 765 CG LEU A 43 0.670 9.205 0.445 1.00 0.00 C ATOM 766 CD1 LEU A 43 0.605 9.139 -1.074 1.00 0.00 C ATOM 767 CD2 LEU A 43 1.722 10.209 0.892 1.00 0.00 C ATOM 0 H LEU A 43 -0.854 8.111 3.099 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.677 8.745 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.159 10.318 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.548 10.041 1.997 1.00 0.00 H new ATOM 0 HG LEU A 43 0.952 8.221 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.587 8.878 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.120 8.383 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.302 10.109 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.689 9.934 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.445 11.205 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.786 10.208 1.980 1.00 0.00 H new ATOM 779 N GLN A 44 -0.573 6.275 0.877 1.00 0.00 N ATOM 780 CA GLN A 44 -0.151 5.098 0.135 1.00 0.00 C ATOM 781 C GLN A 44 -1.281 4.086 0.103 1.00 0.00 C ATOM 782 O GLN A 44 -1.760 3.708 -0.957 1.00 0.00 O ATOM 783 CB GLN A 44 1.092 4.468 0.766 1.00 0.00 C ATOM 784 CG GLN A 44 2.071 5.477 1.344 1.00 0.00 C ATOM 785 CD GLN A 44 2.753 6.306 0.274 1.00 0.00 C ATOM 786 OE1 GLN A 44 2.905 5.866 -0.866 1.00 0.00 O ATOM 787 NE2 GLN A 44 3.168 7.514 0.636 1.00 0.00 N ATOM 0 H GLN A 44 -0.269 6.294 1.850 1.00 0.00 H new ATOM 0 HA GLN A 44 0.100 5.402 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.779 3.786 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.605 3.869 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.542 6.139 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.827 4.951 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.021 7.838 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.634 8.118 -0.042 1.00 0.00 H new ATOM 796 N VAL A 45 -1.712 3.669 1.280 1.00 0.00 N ATOM 797 CA VAL A 45 -2.798 2.705 1.419 1.00 0.00 C ATOM 798 C VAL A 45 -3.886 2.899 0.367 1.00 0.00 C ATOM 799 O VAL A 45 -4.505 1.940 -0.078 1.00 0.00 O ATOM 800 CB VAL A 45 -3.429 2.822 2.806 1.00 0.00 C ATOM 801 CG1 VAL A 45 -2.441 2.363 3.857 1.00 0.00 C ATOM 802 CG2 VAL A 45 -3.865 4.257 3.066 1.00 0.00 C ATOM 0 H VAL A 45 -1.322 3.986 2.168 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.362 1.716 1.279 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.312 2.184 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.895 2.448 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.168 1.324 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.548 2.986 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.313 4.327 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.998 4.916 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.596 4.557 2.315 1.00 0.00 H new ATOM 812 N ARG A 46 -4.113 4.140 -0.033 1.00 0.00 N ATOM 813 CA ARG A 46 -5.123 4.431 -1.039 1.00 0.00 C ATOM 814 C ARG A 46 -4.574 4.181 -2.443 1.00 0.00 C ATOM 815 O ARG A 46 -5.107 3.359 -3.185 1.00 0.00 O ATOM 816 CB ARG A 46 -5.628 5.870 -0.911 1.00 0.00 C ATOM 817 CG ARG A 46 -4.562 6.877 -0.511 1.00 0.00 C ATOM 818 CD ARG A 46 -4.635 8.139 -1.356 1.00 0.00 C ATOM 819 NE ARG A 46 -5.977 8.717 -1.360 1.00 0.00 N ATOM 820 CZ ARG A 46 -6.238 9.984 -1.677 1.00 0.00 C ATOM 821 NH1 ARG A 46 -5.255 10.805 -2.023 1.00 0.00 N ATOM 822 NH2 ARG A 46 -7.486 10.429 -1.649 1.00 0.00 N ATOM 0 H ARG A 46 -3.616 4.957 0.320 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.965 3.760 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.061 6.176 -1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.430 5.896 -0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.682 7.136 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.576 6.425 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.925 8.873 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.336 7.909 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.760 8.115 -1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.293 10.467 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.461 11.774 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.245 9.801 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.687 11.399 -1.892 1.00 0.00 H new ATOM 836 N VAL A 47 -3.505 4.886 -2.802 1.00 0.00 N ATOM 837 CA VAL A 47 -2.892 4.729 -4.120 1.00 0.00 C ATOM 838 C VAL A 47 -2.214 3.368 -4.260 1.00 0.00 C ATOM 839 O VAL A 47 -2.340 2.693 -5.282 1.00 0.00 O ATOM 840 CB VAL A 47 -1.844 5.828 -4.373 1.00 0.00 C ATOM 841 CG1 VAL A 47 -2.473 7.204 -4.225 1.00 0.00 C ATOM 842 CG2 VAL A 47 -0.664 5.665 -3.424 1.00 0.00 C ATOM 0 H VAL A 47 -3.045 5.570 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.694 4.809 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.475 5.731 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.719 7.970 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.283 7.313 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.868 7.317 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.068 6.450 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.013 5.738 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.202 4.691 -3.582 1.00 0.00 H new ATOM 852 N TRP A 48 -1.487 2.988 -3.222 1.00 0.00 N ATOM 853 CA TRP A 48 -0.765 1.729 -3.191 1.00 0.00 C ATOM 854 C TRP A 48 -1.723 0.543 -3.309 1.00 0.00 C ATOM 855 O TRP A 48 -1.539 -0.322 -4.166 1.00 0.00 O ATOM 856 CB TRP A 48 0.065 1.650 -1.907 1.00 0.00 C ATOM 857 CG TRP A 48 1.517 1.375 -2.155 1.00 0.00 C ATOM 858 CD1 TRP A 48 2.506 2.302 -2.316 1.00 0.00 C ATOM 859 CD2 TRP A 48 2.143 0.095 -2.274 1.00 0.00 C ATOM 860 NE1 TRP A 48 3.710 1.675 -2.527 1.00 0.00 N ATOM 861 CE2 TRP A 48 3.513 0.320 -2.506 1.00 0.00 C ATOM 862 CE3 TRP A 48 1.680 -1.220 -2.207 1.00 0.00 C ATOM 863 CZ2 TRP A 48 4.421 -0.722 -2.671 1.00 0.00 C ATOM 864 CZ3 TRP A 48 2.582 -2.254 -2.371 1.00 0.00 C ATOM 865 CH2 TRP A 48 3.940 -2.000 -2.600 1.00 0.00 C ATOM 0 H TRP A 48 -1.381 3.547 -2.375 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.092 1.683 -4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.032 2.589 -1.362 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.342 0.867 -1.267 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.363 3.372 -2.282 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.604 2.142 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.635 -1.426 -2.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.468 -0.528 -2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.234 -3.275 -2.322 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.621 -2.830 -2.723 1.00 0.00 H new ATOM 876 N PHE A 49 -2.753 0.507 -2.464 1.00 0.00 N ATOM 877 CA PHE A 49 -3.729 -0.577 -2.513 1.00 0.00 C ATOM 878 C PHE A 49 -4.535 -0.518 -3.807 1.00 0.00 C ATOM 879 O PHE A 49 -5.026 -1.535 -4.284 1.00 0.00 O ATOM 880 CB PHE A 49 -4.693 -0.516 -1.325 1.00 0.00 C ATOM 881 CG PHE A 49 -4.053 -0.722 0.024 1.00 0.00 C ATOM 882 CD1 PHE A 49 -2.778 -1.258 0.144 1.00 0.00 C ATOM 883 CD2 PHE A 49 -4.740 -0.380 1.178 1.00 0.00 C ATOM 884 CE1 PHE A 49 -2.206 -1.445 1.389 1.00 0.00 C ATOM 885 CE2 PHE A 49 -4.173 -0.563 2.422 1.00 0.00 C ATOM 886 CZ PHE A 49 -2.905 -1.097 2.529 1.00 0.00 C ATOM 0 H PHE A 49 -2.931 1.209 -1.745 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.172 -1.513 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.192 0.453 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.465 -1.272 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.227 -1.532 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.734 0.036 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.213 -1.863 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.721 -0.289 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.460 -1.243 3.502 1.00 0.00 H new ATOM 896 N ILE A 50 -4.677 0.677 -4.374 1.00 0.00 N ATOM 897 CA ILE A 50 -5.433 0.840 -5.612 1.00 0.00 C ATOM 898 C ILE A 50 -4.912 -0.113 -6.690 1.00 0.00 C ATOM 899 O ILE A 50 -5.674 -0.889 -7.270 1.00 0.00 O ATOM 900 CB ILE A 50 -5.384 2.305 -6.117 1.00 0.00 C ATOM 901 CG1 ILE A 50 -6.590 3.084 -5.584 1.00 0.00 C ATOM 902 CG2 ILE A 50 -5.341 2.373 -7.641 1.00 0.00 C ATOM 903 CD1 ILE A 50 -7.910 2.634 -6.172 1.00 0.00 C ATOM 0 H ILE A 50 -4.282 1.540 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.473 0.594 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.467 2.759 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.630 2.978 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.450 4.144 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.307 3.415 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.453 1.855 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.232 1.898 -8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.719 3.230 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.890 2.766 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.073 1.582 -5.938 1.00 0.00 H new ATOM 915 N ASN A 51 -3.610 -0.053 -6.944 1.00 0.00 N ATOM 916 CA ASN A 51 -2.984 -0.916 -7.940 1.00 0.00 C ATOM 917 C ASN A 51 -2.737 -2.308 -7.367 1.00 0.00 C ATOM 918 O ASN A 51 -2.744 -3.302 -8.094 1.00 0.00 O ATOM 919 CB ASN A 51 -1.666 -0.308 -8.421 1.00 0.00 C ATOM 920 CG ASN A 51 -1.797 1.165 -8.760 1.00 0.00 C ATOM 921 OD1 ASN A 51 -1.860 2.015 -7.872 1.00 0.00 O ATOM 922 ND2 ASN A 51 -1.840 1.473 -10.050 1.00 0.00 N ATOM 0 H ASN A 51 -2.967 0.584 -6.474 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.663 -1.003 -8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.908 -0.434 -7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.318 -0.851 -9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.929 2.447 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.784 0.736 -10.753 1.00 0.00 H new ATOM 929 N LYS A 52 -2.524 -2.370 -6.055 1.00 0.00 N ATOM 930 CA LYS A 52 -2.279 -3.636 -5.374 1.00 0.00 C ATOM 931 C LYS A 52 -3.578 -4.221 -4.821 1.00 0.00 C ATOM 932 O LYS A 52 -3.556 -5.092 -3.952 1.00 0.00 O ATOM 933 CB LYS A 52 -1.278 -3.430 -4.235 1.00 0.00 C ATOM 934 CG LYS A 52 0.153 -3.237 -4.713 1.00 0.00 C ATOM 935 CD LYS A 52 0.616 -4.401 -5.574 1.00 0.00 C ATOM 936 CE LYS A 52 2.130 -4.427 -5.711 1.00 0.00 C ATOM 937 NZ LYS A 52 2.603 -5.638 -6.436 1.00 0.00 N ATOM 0 H LYS A 52 -2.516 -1.555 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.867 -4.339 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.578 -2.560 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.317 -4.291 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.225 -2.311 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.814 -3.134 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.273 -5.338 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.162 -4.327 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.462 -3.534 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.584 -4.397 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.640 -5.617 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.309 -6.490 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.190 -5.654 -7.390 1.00 0.00 H new ATOM 951 N ARG A 53 -4.706 -3.730 -5.326 1.00 0.00 N ATOM 952 CA ARG A 53 -6.012 -4.193 -4.878 1.00 0.00 C ATOM 953 C ARG A 53 -7.135 -3.503 -5.646 1.00 0.00 C ATOM 954 O ARG A 53 -8.208 -3.260 -5.098 1.00 0.00 O ATOM 955 CB ARG A 53 -6.190 -3.926 -3.384 1.00 0.00 C ATOM 956 CG ARG A 53 -7.376 -4.659 -2.785 1.00 0.00 C ATOM 957 CD ARG A 53 -8.026 -3.854 -1.672 1.00 0.00 C ATOM 958 NE ARG A 53 -8.578 -2.592 -2.161 1.00 0.00 N ATOM 959 CZ ARG A 53 -8.965 -1.595 -1.369 1.00 0.00 C ATOM 960 NH1 ARG A 53 -8.855 -1.706 -0.051 1.00 0.00 N ATOM 961 NH2 ARG A 53 -9.461 -0.484 -1.895 1.00 0.00 N ATOM 0 H ARG A 53 -4.740 -3.010 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.062 -5.265 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.283 -4.223 -2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.314 -2.855 -3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.110 -4.863 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.050 -5.623 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.820 -4.444 -1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.290 -3.651 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.672 -2.468 -3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.473 -2.558 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.153 -0.939 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.546 -0.393 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.757 0.280 -1.287 1.00 0.00 H new ATOM 975 N MET A 54 -6.885 -3.183 -6.914 1.00 0.00 N ATOM 976 CA MET A 54 -7.887 -2.518 -7.741 1.00 0.00 C ATOM 977 C MET A 54 -9.220 -3.260 -7.691 1.00 0.00 C ATOM 978 O MET A 54 -9.481 -4.147 -8.503 1.00 0.00 O ATOM 979 CB MET A 54 -7.397 -2.416 -9.187 1.00 0.00 C ATOM 980 CG MET A 54 -7.613 -1.044 -9.807 1.00 0.00 C ATOM 981 SD MET A 54 -7.836 -1.116 -11.595 1.00 0.00 S ATOM 982 CE MET A 54 -6.253 -1.779 -12.108 1.00 0.00 C ATOM 0 H MET A 54 -6.002 -3.373 -7.388 1.00 0.00 H new ATOM 0 HA MET A 54 -8.040 -1.514 -7.345 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.335 -2.657 -9.220 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.912 -3.163 -9.790 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.489 -0.579 -9.354 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.759 -0.407 -9.577 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.202 -1.799 -13.197 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.452 -1.150 -11.719 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.140 -2.792 -11.721 1.00 0.00 H new