USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 292 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 19 THR OG1 : rot -170:sc= -1.12 USER MOD Single : A 27 MET CE :methyl 167:sc= 0 (180deg=-0.0929) USER MOD Single : A 29 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0052) USER MOD Single : A 30 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.51) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.01) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.4) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.368 -5.977 -3.839 1.00 0.00 N ATOM 224 CA LEU A 17 9.191 -7.296 -4.439 1.00 0.00 C ATOM 225 C LEU A 17 7.759 -7.483 -4.931 1.00 0.00 C ATOM 226 O LEU A 17 6.838 -7.663 -4.135 1.00 0.00 O ATOM 227 CB LEU A 17 9.542 -8.389 -3.428 1.00 0.00 C ATOM 228 CG LEU A 17 9.967 -9.735 -4.015 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.360 -9.639 -4.617 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.917 -10.821 -2.951 1.00 0.00 C ATOM 0 HA LEU A 17 9.862 -7.372 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.347 -8.022 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.677 -8.553 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 17 9.268 -10.000 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.645 -10.607 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.363 -8.891 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.072 -9.350 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.223 -11.772 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.592 -10.562 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.900 -10.908 -2.567 1.00 0.00 H new ATOM 242 N ALA A 18 7.581 -7.441 -6.247 1.00 0.00 N ATOM 243 CA ALA A 18 6.263 -7.611 -6.845 1.00 0.00 C ATOM 244 C ALA A 18 6.352 -7.661 -8.367 1.00 0.00 C ATOM 245 O ALA A 18 7.312 -7.167 -8.960 1.00 0.00 O ATOM 246 CB ALA A 18 5.335 -6.487 -6.406 1.00 0.00 C ATOM 0 H ALA A 18 8.333 -7.291 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 18 5.855 -8.561 -6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.354 -6.627 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.237 -6.499 -5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.748 -5.529 -6.723 1.00 0.00 H new ATOM 252 N THR A 19 5.346 -8.262 -8.995 1.00 0.00 N ATOM 253 CA THR A 19 5.312 -8.378 -10.447 1.00 0.00 C ATOM 254 C THR A 19 5.282 -7.005 -11.108 1.00 0.00 C ATOM 255 O THR A 19 4.941 -5.999 -10.488 1.00 0.00 O ATOM 256 CB THR A 19 4.090 -9.189 -10.917 1.00 0.00 C ATOM 257 OG1 THR A 19 3.009 -9.027 -9.992 1.00 0.00 O ATOM 258 CG2 THR A 19 4.437 -10.665 -11.046 1.00 0.00 C ATOM 0 H THR A 19 4.544 -8.676 -8.520 1.00 0.00 H new ATOM 0 HA THR A 19 6.221 -8.901 -10.744 1.00 0.00 H new ATOM 0 HB THR A 19 3.789 -8.816 -11.896 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.295 -9.663 -10.208 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.558 -11.218 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.240 -10.788 -11.773 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.761 -11.048 -10.079 1.00 0.00 H new ATOM 266 N PRO A 20 5.647 -6.960 -12.399 1.00 0.00 N ATOM 267 CA PRO A 20 5.669 -5.715 -13.172 1.00 0.00 C ATOM 268 C PRO A 20 4.267 -5.180 -13.449 1.00 0.00 C ATOM 269 O PRO A 20 4.040 -3.971 -13.427 1.00 0.00 O ATOM 270 CB PRO A 20 6.353 -6.122 -14.479 1.00 0.00 C ATOM 271 CG PRO A 20 6.092 -7.584 -14.604 1.00 0.00 C ATOM 272 CD PRO A 20 6.067 -8.121 -13.200 1.00 0.00 C ATOM 0 HA PRO A 20 6.180 -4.913 -12.639 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.944 -5.573 -15.327 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.422 -5.912 -14.448 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.144 -7.770 -15.110 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.869 -8.070 -15.194 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.369 -8.952 -13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.046 -8.488 -12.893 1.00 0.00 H new ATOM 280 N ALA A 21 3.333 -6.089 -13.707 1.00 0.00 N ATOM 281 CA ALA A 21 1.954 -5.708 -13.985 1.00 0.00 C ATOM 282 C ALA A 21 1.300 -5.079 -12.759 1.00 0.00 C ATOM 283 O ALA A 21 0.453 -4.194 -12.881 1.00 0.00 O ATOM 284 CB ALA A 21 1.156 -6.917 -14.450 1.00 0.00 C ATOM 0 H ALA A 21 3.506 -7.094 -13.729 1.00 0.00 H new ATOM 0 HA ALA A 21 1.962 -4.964 -14.781 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.128 -6.618 -14.654 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.603 -7.321 -15.358 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.164 -7.680 -13.671 1.00 0.00 H new ATOM 290 N VAL A 22 1.700 -5.541 -11.578 1.00 0.00 N ATOM 291 CA VAL A 22 1.153 -5.023 -10.330 1.00 0.00 C ATOM 292 C VAL A 22 1.806 -3.698 -9.952 1.00 0.00 C ATOM 293 O VAL A 22 1.140 -2.782 -9.470 1.00 0.00 O ATOM 294 CB VAL A 22 1.344 -6.024 -9.176 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.758 -5.470 -7.886 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.713 -7.365 -9.524 1.00 0.00 C ATOM 0 H VAL A 22 2.401 -6.273 -11.460 1.00 0.00 H new ATOM 0 HA VAL A 22 0.087 -4.866 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 22 2.412 -6.178 -9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.902 -6.191 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.259 -4.536 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.308 -5.285 -8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.857 -8.061 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.354 -7.230 -9.702 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.183 -7.766 -10.422 1.00 0.00 H new ATOM 306 N ARG A 23 3.112 -3.604 -10.175 1.00 0.00 N ATOM 307 CA ARG A 23 3.856 -2.391 -9.857 1.00 0.00 C ATOM 308 C ARG A 23 3.161 -1.161 -10.431 1.00 0.00 C ATOM 309 O ARG A 23 3.307 -0.053 -9.914 1.00 0.00 O ATOM 310 CB ARG A 23 5.283 -2.485 -10.400 1.00 0.00 C ATOM 311 CG ARG A 23 6.238 -3.228 -9.480 1.00 0.00 C ATOM 312 CD ARG A 23 7.590 -3.447 -10.140 1.00 0.00 C ATOM 313 NE ARG A 23 8.464 -2.286 -9.995 1.00 0.00 N ATOM 314 CZ ARG A 23 8.435 -1.237 -10.809 1.00 0.00 C ATOM 315 NH1 ARG A 23 7.580 -1.204 -11.822 1.00 0.00 N ATOM 316 NH2 ARG A 23 9.262 -0.219 -10.611 1.00 0.00 N ATOM 0 H ARG A 23 3.677 -4.353 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 23 3.894 -2.292 -8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.262 -2.985 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.665 -1.478 -10.570 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.370 -2.663 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.806 -4.190 -9.206 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.071 -4.320 -9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.446 -3.662 -11.199 1.00 0.00 H new ATOM 0 HE ARG A 23 9.134 -2.280 -9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.943 -1.985 -11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.559 -0.397 -12.446 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.921 -0.241 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.239 0.586 -11.237 1.00 0.00 H new ATOM 330 N ARG A 24 2.406 -1.362 -11.506 1.00 0.00 N ATOM 331 CA ARG A 24 1.690 -0.269 -12.153 1.00 0.00 C ATOM 332 C ARG A 24 0.294 -0.107 -11.559 1.00 0.00 C ATOM 333 O ARG A 24 -0.295 0.973 -11.615 1.00 0.00 O ATOM 334 CB ARG A 24 1.588 -0.518 -13.659 1.00 0.00 C ATOM 335 CG ARG A 24 0.372 0.127 -14.303 1.00 0.00 C ATOM 336 CD ARG A 24 0.589 0.365 -15.790 1.00 0.00 C ATOM 337 NE ARG A 24 -0.385 1.302 -16.342 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.477 1.589 -17.635 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.342 1.014 -18.505 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.390 2.454 -18.061 1.00 0.00 N ATOM 0 H ARG A 24 2.274 -2.272 -11.947 1.00 0.00 H new ATOM 0 HA ARG A 24 2.249 0.650 -11.980 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.488 -0.139 -14.143 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.557 -1.592 -13.840 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.499 -0.512 -14.159 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.157 1.075 -13.809 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.595 0.751 -15.952 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.522 -0.584 -16.323 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.030 1.761 -15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.045 0.349 -18.181 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.269 1.236 -19.498 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.021 2.899 -17.395 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.460 2.674 -19.055 1.00 0.00 H new ATOM 354 N LEU A 25 -0.230 -1.186 -10.990 1.00 0.00 N ATOM 355 CA LEU A 25 -1.558 -1.165 -10.385 1.00 0.00 C ATOM 356 C LEU A 25 -1.602 -0.200 -9.204 1.00 0.00 C ATOM 357 O LEU A 25 -2.672 0.257 -8.804 1.00 0.00 O ATOM 358 CB LEU A 25 -1.954 -2.569 -9.926 1.00 0.00 C ATOM 359 CG LEU A 25 -3.454 -2.857 -9.864 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.117 -2.522 -11.191 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.704 -4.312 -9.495 1.00 0.00 C ATOM 0 H LEU A 25 0.244 -2.087 -10.934 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.268 -0.823 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.493 -3.293 -10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.531 -2.739 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.893 -2.226 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.184 -2.733 -11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.969 -1.466 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.673 -3.127 -11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.777 -4.498 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.250 -4.961 -10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.264 -4.521 -8.520 1.00 0.00 H new ATOM 373 N ALA A 26 -0.432 0.106 -8.652 1.00 0.00 N ATOM 374 CA ALA A 26 -0.338 1.020 -7.521 1.00 0.00 C ATOM 375 C ALA A 26 -0.091 2.450 -7.989 1.00 0.00 C ATOM 376 O ALA A 26 -0.682 3.395 -7.467 1.00 0.00 O ATOM 377 CB ALA A 26 0.767 0.575 -6.574 1.00 0.00 C ATOM 0 H ALA A 26 0.463 -0.266 -8.970 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.289 0.999 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.826 1.267 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.548 -0.427 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.719 0.566 -7.104 1.00 0.00 H new ATOM 383 N MET A 27 0.786 2.602 -8.976 1.00 0.00 N ATOM 384 CA MET A 27 1.109 3.917 -9.516 1.00 0.00 C ATOM 385 C MET A 27 -0.126 4.576 -10.121 1.00 0.00 C ATOM 386 O MET A 27 -0.187 5.798 -10.251 1.00 0.00 O ATOM 387 CB MET A 27 2.210 3.803 -10.572 1.00 0.00 C ATOM 388 CG MET A 27 1.680 3.590 -11.981 1.00 0.00 C ATOM 389 SD MET A 27 2.996 3.474 -13.208 1.00 0.00 S ATOM 390 CE MET A 27 2.451 4.689 -14.405 1.00 0.00 C ATOM 0 H MET A 27 1.286 1.830 -9.418 1.00 0.00 H new ATOM 0 HA MET A 27 1.466 4.540 -8.696 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.815 4.709 -10.553 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.868 2.974 -10.311 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.083 2.678 -12.007 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.015 4.413 -12.243 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.262 4.903 -15.101 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.594 4.299 -14.955 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.165 5.605 -13.889 1.00 0.00 H new ATOM 400 N GLU A 28 -1.107 3.759 -10.488 1.00 0.00 N ATOM 401 CA GLU A 28 -2.340 4.264 -11.082 1.00 0.00 C ATOM 402 C GLU A 28 -3.363 4.604 -10.002 1.00 0.00 C ATOM 403 O GLU A 28 -4.190 5.497 -10.175 1.00 0.00 O ATOM 404 CB GLU A 28 -2.925 3.234 -12.050 1.00 0.00 C ATOM 405 CG GLU A 28 -2.008 2.903 -13.215 1.00 0.00 C ATOM 406 CD GLU A 28 -1.963 4.007 -14.254 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.923 4.802 -14.314 1.00 0.00 O ATOM 408 OE2 GLU A 28 -0.968 4.074 -15.005 1.00 0.00 O ATOM 0 H GLU A 28 -1.073 2.745 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.103 5.174 -11.633 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.147 2.318 -11.502 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.871 3.610 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.001 2.721 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.344 1.979 -13.686 1.00 0.00 H new ATOM 415 N ASN A 29 -3.301 3.882 -8.887 1.00 0.00 N ATOM 416 CA ASN A 29 -4.223 4.104 -7.780 1.00 0.00 C ATOM 417 C ASN A 29 -3.543 4.878 -6.654 1.00 0.00 C ATOM 418 O ASN A 29 -4.084 5.001 -5.556 1.00 0.00 O ATOM 419 CB ASN A 29 -4.748 2.769 -7.250 1.00 0.00 C ATOM 420 CG ASN A 29 -5.752 2.129 -8.189 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.914 2.535 -8.243 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.309 1.123 -8.933 1.00 0.00 N ATOM 0 H ASN A 29 -2.622 3.138 -8.727 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.061 4.695 -8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.911 2.087 -7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.213 2.925 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.939 0.653 -9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.338 0.820 -8.855 1.00 0.00 H new ATOM 429 N ASN A 30 -2.353 5.401 -6.937 1.00 0.00 N ATOM 430 CA ASN A 30 -1.599 6.164 -5.949 1.00 0.00 C ATOM 431 C ASN A 30 -1.465 5.382 -4.645 1.00 0.00 C ATOM 432 O ASN A 30 -1.666 5.927 -3.559 1.00 0.00 O ATOM 433 CB ASN A 30 -2.281 7.507 -5.683 1.00 0.00 C ATOM 434 CG ASN A 30 -1.481 8.385 -4.739 1.00 0.00 C ATOM 435 OD1 ASN A 30 -0.304 8.657 -4.976 1.00 0.00 O ATOM 436 ND2 ASN A 30 -2.118 8.830 -3.663 1.00 0.00 N ATOM 0 H ASN A 30 -1.891 5.310 -7.842 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.601 6.344 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.426 8.031 -6.628 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.271 7.332 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.631 9.424 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.094 8.579 -3.508 1.00 0.00 H new ATOM 443 N ILE A 31 -1.124 4.103 -4.761 1.00 0.00 N ATOM 444 CA ILE A 31 -0.961 3.247 -3.591 1.00 0.00 C ATOM 445 C ILE A 31 0.513 3.043 -3.262 1.00 0.00 C ATOM 446 O ILE A 31 1.338 2.839 -4.153 1.00 0.00 O ATOM 447 CB ILE A 31 -1.624 1.874 -3.802 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.130 2.038 -4.019 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.351 0.965 -2.613 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.818 0.769 -4.471 1.00 0.00 C ATOM 0 H ILE A 31 -0.955 3.636 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.450 3.753 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.196 1.414 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.588 2.378 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.299 2.817 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.826 -0.002 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.276 0.826 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.755 1.419 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.883 0.960 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.387 0.438 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.680 -0.007 -3.718 1.00 0.00 H new ATOM 462 N LYS A 32 0.839 3.095 -1.975 1.00 0.00 N ATOM 463 CA LYS A 32 2.214 2.912 -1.524 1.00 0.00 C ATOM 464 C LYS A 32 2.536 1.431 -1.348 1.00 0.00 C ATOM 465 O LYS A 32 2.175 0.823 -0.339 1.00 0.00 O ATOM 466 CB LYS A 32 2.444 3.655 -0.207 1.00 0.00 C ATOM 467 CG LYS A 32 2.326 5.164 -0.332 1.00 0.00 C ATOM 468 CD LYS A 32 0.886 5.625 -0.181 1.00 0.00 C ATOM 469 CE LYS A 32 0.755 7.124 -0.400 1.00 0.00 C ATOM 470 NZ LYS A 32 1.368 7.904 0.711 1.00 0.00 N ATOM 0 H LYS A 32 0.169 3.263 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 32 2.877 3.322 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.723 3.302 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.435 3.407 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.944 5.642 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.711 5.481 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.256 5.095 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.523 5.369 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.233 7.396 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.299 7.387 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.228 8.920 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.919 7.639 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.386 7.698 0.759 1.00 0.00 H new ATOM 484 N LEU A 33 3.217 0.856 -2.333 1.00 0.00 N ATOM 485 CA LEU A 33 3.589 -0.553 -2.286 1.00 0.00 C ATOM 486 C LEU A 33 4.107 -0.933 -0.903 1.00 0.00 C ATOM 487 O LEU A 33 3.661 -1.916 -0.311 1.00 0.00 O ATOM 488 CB LEU A 33 4.653 -0.856 -3.343 1.00 0.00 C ATOM 489 CG LEU A 33 4.134 -1.312 -4.707 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.293 -1.615 -5.644 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.235 -2.531 -4.554 1.00 0.00 C ATOM 0 H LEU A 33 3.523 1.345 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 33 2.699 -1.146 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.258 0.039 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.315 -1.628 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 33 3.545 -0.504 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.905 -1.938 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.897 -0.718 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.909 -2.407 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.874 -2.842 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.800 -3.345 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.386 -2.280 -3.918 1.00 0.00 H new ATOM 503 N SER A 34 5.049 -0.147 -0.393 1.00 0.00 N ATOM 504 CA SER A 34 5.630 -0.402 0.921 1.00 0.00 C ATOM 505 C SER A 34 4.539 -0.539 1.979 1.00 0.00 C ATOM 506 O SER A 34 4.689 -1.285 2.945 1.00 0.00 O ATOM 507 CB SER A 34 6.590 0.725 1.305 1.00 0.00 C ATOM 508 OG SER A 34 7.032 0.584 2.644 1.00 0.00 O ATOM 0 H SER A 34 5.427 0.672 -0.869 1.00 0.00 H new ATOM 0 HA SER A 34 6.184 -1.340 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.448 0.721 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.094 1.688 1.182 1.00 0.00 H new ATOM 0 HG SER A 34 7.646 1.316 2.865 1.00 0.00 H new ATOM 514 N GLU A 35 3.442 0.186 1.786 1.00 0.00 N ATOM 515 CA GLU A 35 2.326 0.146 2.724 1.00 0.00 C ATOM 516 C GLU A 35 1.422 -1.051 2.444 1.00 0.00 C ATOM 517 O GLU A 35 0.634 -1.462 3.296 1.00 0.00 O ATOM 518 CB GLU A 35 1.516 1.441 2.643 1.00 0.00 C ATOM 519 CG GLU A 35 2.363 2.697 2.762 1.00 0.00 C ATOM 520 CD GLU A 35 3.050 2.812 4.108 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.389 3.240 5.078 1.00 0.00 O ATOM 522 OE2 GLU A 35 4.250 2.476 4.193 1.00 0.00 O ATOM 0 H GLU A 35 3.302 0.808 0.989 1.00 0.00 H new ATOM 0 HA GLU A 35 2.734 0.044 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.978 1.464 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.767 1.441 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.115 2.699 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.733 3.572 2.604 1.00 0.00 H new ATOM 529 N VAL A 36 1.541 -1.605 1.241 1.00 0.00 N ATOM 530 CA VAL A 36 0.735 -2.755 0.847 1.00 0.00 C ATOM 531 C VAL A 36 1.389 -4.061 1.284 1.00 0.00 C ATOM 532 O VAL A 36 2.395 -4.485 0.714 1.00 0.00 O ATOM 533 CB VAL A 36 0.515 -2.789 -0.677 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.512 -3.851 -1.045 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.084 -1.421 -1.184 1.00 0.00 C ATOM 0 H VAL A 36 2.187 -1.276 0.523 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.229 -2.651 1.345 1.00 0.00 H new ATOM 0 HB VAL A 36 1.459 -3.048 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.654 -3.860 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.158 -4.828 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.460 -3.626 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.067 -1.464 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.848 -1.130 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.857 -0.688 -0.955 1.00 0.00 H new ATOM 545 N VAL A 37 0.812 -4.695 2.300 1.00 0.00 N ATOM 546 CA VAL A 37 1.337 -5.954 2.813 1.00 0.00 C ATOM 547 C VAL A 37 1.188 -7.071 1.786 1.00 0.00 C ATOM 548 O VAL A 37 0.102 -7.621 1.605 1.00 0.00 O ATOM 549 CB VAL A 37 0.626 -6.369 4.115 1.00 0.00 C ATOM 550 CG1 VAL A 37 1.261 -7.624 4.694 1.00 0.00 C ATOM 551 CG2 VAL A 37 0.657 -5.232 5.125 1.00 0.00 C ATOM 0 H VAL A 37 -0.020 -4.357 2.784 1.00 0.00 H new ATOM 0 HA VAL A 37 2.395 -5.795 3.021 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.416 -6.591 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.745 -7.902 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.181 -8.438 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.312 -7.433 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.150 -5.543 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.692 -4.976 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.151 -4.361 4.708 1.00 0.00 H new ATOM 561 N GLY A 38 2.287 -7.404 1.118 1.00 0.00 N ATOM 562 CA GLY A 38 2.258 -8.455 0.118 1.00 0.00 C ATOM 563 C GLY A 38 1.968 -9.817 0.716 1.00 0.00 C ATOM 564 O GLY A 38 2.369 -10.105 1.844 1.00 0.00 O ATOM 0 H GLY A 38 3.198 -6.965 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.499 -8.221 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.217 -8.486 -0.400 1.00 0.00 H new ATOM 627 N ARG A 44 6.369 -10.741 -1.371 1.00 0.00 N ATOM 628 CA ARG A 44 6.028 -10.364 -2.738 1.00 0.00 C ATOM 629 C ARG A 44 4.585 -9.875 -2.822 1.00 0.00 C ATOM 630 O ARG A 44 3.651 -10.606 -2.490 1.00 0.00 O ATOM 631 CB ARG A 44 6.232 -11.549 -3.683 1.00 0.00 C ATOM 632 CG ARG A 44 6.127 -11.181 -5.153 1.00 0.00 C ATOM 633 CD ARG A 44 6.459 -12.364 -6.050 1.00 0.00 C ATOM 634 NE ARG A 44 7.891 -12.454 -6.327 1.00 0.00 N ATOM 635 CZ ARG A 44 8.439 -13.423 -7.051 1.00 0.00 C ATOM 636 NH1 ARG A 44 7.680 -14.378 -7.570 1.00 0.00 N ATOM 637 NH2 ARG A 44 9.750 -13.436 -7.260 1.00 0.00 N ATOM 0 HA ARG A 44 6.688 -9.551 -3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.212 -11.987 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.492 -12.316 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.118 -10.831 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.805 -10.356 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.123 -13.285 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.913 -12.272 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 44 8.503 -11.734 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.672 -14.370 -7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.104 -15.121 -8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.337 -12.701 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.170 -14.181 -7.816 1.00 0.00 H new ATOM 651 N ILE A 45 4.411 -8.636 -3.269 1.00 0.00 N ATOM 652 CA ILE A 45 3.082 -8.050 -3.397 1.00 0.00 C ATOM 653 C ILE A 45 2.400 -8.512 -4.680 1.00 0.00 C ATOM 654 O ILE A 45 2.788 -8.115 -5.781 1.00 0.00 O ATOM 655 CB ILE A 45 3.142 -6.511 -3.386 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.925 -6.018 -2.168 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.738 -5.927 -3.393 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.544 -4.652 -2.360 1.00 0.00 C ATOM 0 H ILE A 45 5.173 -8.019 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 45 2.503 -8.389 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 45 3.658 -6.175 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.259 -5.988 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.712 -6.736 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.797 -4.839 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.212 -6.256 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.198 -6.268 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.083 -4.367 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.236 -4.681 -3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.760 -3.922 -2.560 1.00 0.00 H new ATOM 670 N LEU A 46 1.381 -9.351 -4.533 1.00 0.00 N ATOM 671 CA LEU A 46 0.642 -9.866 -5.680 1.00 0.00 C ATOM 672 C LEU A 46 -0.372 -8.842 -6.179 1.00 0.00 C ATOM 673 O LEU A 46 -0.438 -7.720 -5.676 1.00 0.00 O ATOM 674 CB LEU A 46 -0.072 -11.168 -5.309 1.00 0.00 C ATOM 675 CG LEU A 46 0.735 -12.160 -4.472 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.131 -13.342 -4.064 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.960 -12.634 -5.240 1.00 0.00 C ATOM 0 H LEU A 46 1.047 -9.689 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 46 1.355 -10.064 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.981 -10.917 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.380 -11.665 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 46 1.072 -11.653 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.460 -14.038 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.976 -12.987 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.498 -13.849 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.522 -13.340 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.645 -13.123 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.592 -11.779 -5.481 1.00 0.00 H new ATOM 689 N LYS A 47 -1.162 -9.235 -7.173 1.00 0.00 N ATOM 690 CA LYS A 47 -2.176 -8.353 -7.740 1.00 0.00 C ATOM 691 C LYS A 47 -3.326 -8.146 -6.759 1.00 0.00 C ATOM 692 O LYS A 47 -3.807 -7.028 -6.581 1.00 0.00 O ATOM 693 CB LYS A 47 -2.708 -8.932 -9.053 1.00 0.00 C ATOM 694 CG LYS A 47 -3.985 -8.267 -9.536 1.00 0.00 C ATOM 695 CD LYS A 47 -4.177 -8.450 -11.033 1.00 0.00 C ATOM 696 CE LYS A 47 -5.550 -7.972 -11.481 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.726 -8.097 -12.954 1.00 0.00 N ATOM 0 H LYS A 47 -1.119 -10.159 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.713 -7.386 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.942 -8.831 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.890 -9.999 -8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.839 -8.687 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.955 -7.203 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.405 -7.898 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.055 -9.502 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.320 -8.552 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.687 -6.932 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.674 -7.761 -13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.007 -7.524 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.621 -9.093 -13.233 1.00 0.00 H new ATOM 711 N GLU A 48 -3.761 -9.232 -6.127 1.00 0.00 N ATOM 712 CA GLU A 48 -4.855 -9.167 -5.164 1.00 0.00 C ATOM 713 C GLU A 48 -4.575 -8.118 -4.093 1.00 0.00 C ATOM 714 O GLU A 48 -5.439 -7.305 -3.763 1.00 0.00 O ATOM 715 CB GLU A 48 -5.071 -10.534 -4.512 1.00 0.00 C ATOM 716 CG GLU A 48 -5.298 -11.657 -5.511 1.00 0.00 C ATOM 717 CD GLU A 48 -6.172 -12.764 -4.954 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.377 -12.518 -4.741 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.649 -13.877 -4.731 1.00 0.00 O ATOM 0 H GLU A 48 -3.374 -10.166 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.760 -8.881 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.203 -10.775 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.929 -10.476 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.761 -11.251 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.336 -12.074 -5.809 1.00 0.00 H new ATOM 726 N ASP A 49 -3.362 -8.142 -3.551 1.00 0.00 N ATOM 727 CA ASP A 49 -2.967 -7.194 -2.517 1.00 0.00 C ATOM 728 C ASP A 49 -3.518 -5.803 -2.815 1.00 0.00 C ATOM 729 O ASP A 49 -4.169 -5.188 -1.970 1.00 0.00 O ATOM 730 CB ASP A 49 -1.443 -7.139 -2.401 1.00 0.00 C ATOM 731 CG ASP A 49 -0.982 -6.765 -1.006 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.817 -6.791 -0.077 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.215 -6.447 -0.842 1.00 0.00 O ATOM 0 H ASP A 49 -2.635 -8.809 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.384 -7.534 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.026 -8.109 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.053 -6.415 -3.116 1.00 0.00 H new ATOM 738 N ILE A 50 -3.252 -5.313 -4.022 1.00 0.00 N ATOM 739 CA ILE A 50 -3.720 -3.996 -4.431 1.00 0.00 C ATOM 740 C ILE A 50 -5.222 -3.853 -4.211 1.00 0.00 C ATOM 741 O ILE A 50 -5.674 -2.961 -3.493 1.00 0.00 O ATOM 742 CB ILE A 50 -3.401 -3.720 -5.912 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.897 -3.841 -6.164 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.902 -2.341 -6.315 1.00 0.00 C ATOM 745 CD1 ILE A 50 -1.100 -2.668 -5.638 1.00 0.00 C ATOM 0 H ILE A 50 -2.715 -5.809 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.194 -3.269 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.914 -4.463 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.531 -4.756 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.723 -3.937 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.669 -2.161 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.981 -2.289 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.416 -1.583 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.042 -2.822 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.439 -1.752 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.244 -2.584 -4.561 1.00 0.00 H new ATOM 757 N LEU A 51 -5.992 -4.740 -4.832 1.00 0.00 N ATOM 758 CA LEU A 51 -7.445 -4.717 -4.703 1.00 0.00 C ATOM 759 C LEU A 51 -7.862 -4.744 -3.236 1.00 0.00 C ATOM 760 O LEU A 51 -8.990 -4.394 -2.895 1.00 0.00 O ATOM 761 CB LEU A 51 -8.062 -5.903 -5.443 1.00 0.00 C ATOM 762 CG LEU A 51 -7.971 -5.864 -6.969 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.325 -7.219 -7.561 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.880 -4.781 -7.531 1.00 0.00 C ATOM 0 H LEU A 51 -5.634 -5.485 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.810 -3.791 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.578 -6.815 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.113 -5.973 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.943 -5.627 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.254 -7.171 -8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.633 -7.972 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.342 -7.486 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.802 -4.768 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.911 -4.986 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.579 -3.811 -7.134 1.00 0.00 H new ATOM 776 N ASN A 52 -6.942 -5.163 -2.373 1.00 0.00 N ATOM 777 CA ASN A 52 -7.213 -5.237 -0.941 1.00 0.00 C ATOM 778 C ASN A 52 -6.769 -3.958 -0.238 1.00 0.00 C ATOM 779 O ASN A 52 -7.216 -3.659 0.869 1.00 0.00 O ATOM 780 CB ASN A 52 -6.502 -6.444 -0.327 1.00 0.00 C ATOM 781 CG ASN A 52 -7.208 -7.750 -0.636 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.432 -7.843 -0.543 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.437 -8.766 -1.005 1.00 0.00 N ATOM 0 H ASN A 52 -6.002 -5.457 -2.640 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.288 -5.351 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.480 -6.489 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.440 -6.315 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.855 -9.670 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.426 -8.643 -1.068 1.00 0.00 H new ATOM 790 N TYR A 53 -5.887 -3.207 -0.888 1.00 0.00 N ATOM 791 CA TYR A 53 -5.380 -1.962 -0.325 1.00 0.00 C ATOM 792 C TYR A 53 -6.357 -0.816 -0.571 1.00 0.00 C ATOM 793 O TYR A 53 -6.404 0.150 0.191 1.00 0.00 O ATOM 794 CB TYR A 53 -4.016 -1.622 -0.927 1.00 0.00 C ATOM 795 CG TYR A 53 -3.439 -0.318 -0.424 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.978 0.900 -0.819 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.355 -0.304 0.444 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.455 2.095 -0.363 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.826 0.886 0.907 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.379 2.082 0.500 1.00 0.00 C ATOM 801 OH TYR A 53 -1.853 3.269 0.957 1.00 0.00 O ATOM 0 H TYR A 53 -5.508 -3.439 -1.806 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.270 -2.098 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.318 -2.429 -0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.109 -1.574 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.821 0.913 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.918 -1.239 0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.886 3.033 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.984 0.879 1.584 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.100 3.084 1.557 1.00 0.00 H new ATOM 811 N LEU A 54 -7.135 -0.929 -1.642 1.00 0.00 N ATOM 812 CA LEU A 54 -8.112 0.096 -1.990 1.00 0.00 C ATOM 813 C LEU A 54 -9.333 0.016 -1.082 1.00 0.00 C ATOM 814 O LEU A 54 -9.926 1.036 -0.731 1.00 0.00 O ATOM 815 CB LEU A 54 -8.539 -0.055 -3.452 1.00 0.00 C ATOM 816 CG LEU A 54 -7.477 0.278 -4.500 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.804 -0.394 -5.825 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.357 1.784 -4.679 1.00 0.00 C ATOM 0 H LEU A 54 -7.108 -1.721 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.644 1.071 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.866 -1.083 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.404 0.585 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.518 -0.103 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.037 -0.145 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.837 -1.475 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.773 -0.044 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.596 2.002 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.315 2.189 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.074 2.242 -3.731 1.00 0.00 H new ATOM 830 N GLU A 55 -9.703 -1.203 -0.700 1.00 0.00 N ATOM 831 CA GLU A 55 -10.853 -1.415 0.170 1.00 0.00 C ATOM 832 C GLU A 55 -10.621 -0.786 1.541 1.00 0.00 C ATOM 833 O GLU A 55 -11.568 -0.423 2.239 1.00 0.00 O ATOM 834 CB GLU A 55 -11.135 -2.911 0.325 1.00 0.00 C ATOM 835 CG GLU A 55 -10.016 -3.674 1.013 1.00 0.00 C ATOM 836 CD GLU A 55 -10.518 -4.883 1.777 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.081 -4.698 2.877 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.347 -6.014 1.276 1.00 0.00 O ATOM 0 H GLU A 55 -9.223 -2.058 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.717 -0.935 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.055 -3.041 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.306 -3.344 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.289 -3.996 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.494 -3.006 1.699 1.00 0.00 H new