USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 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 180:sc= -0.0633 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.93 K(o=0.93,f=-0.21) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.072! F(o=-0.9,f=-0.072!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00765 K(o=-0.0076,f=-0.58) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.499 -5.852 -3.747 1.00 0.00 N ATOM 224 CA LEU A 17 9.437 -7.157 -4.393 1.00 0.00 C ATOM 225 C LEU A 17 8.025 -7.454 -4.887 1.00 0.00 C ATOM 226 O LEU A 17 7.139 -7.788 -4.100 1.00 0.00 O ATOM 227 CB LEU A 17 9.891 -8.251 -3.423 1.00 0.00 C ATOM 228 CG LEU A 17 10.013 -9.658 -4.009 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.335 -9.819 -4.743 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.878 -10.705 -2.912 1.00 0.00 C ATOM 0 HA LEU A 17 10.107 -7.141 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.859 -7.965 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.188 -8.285 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 17 9.205 -9.804 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.403 -10.827 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.392 -9.093 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.159 -9.653 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.967 -11.701 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.665 -10.560 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.905 -10.605 -2.431 1.00 0.00 H new ATOM 242 N ALA A 18 7.823 -7.332 -6.195 1.00 0.00 N ATOM 243 CA ALA A 18 6.519 -7.591 -6.794 1.00 0.00 C ATOM 244 C ALA A 18 6.592 -7.523 -8.315 1.00 0.00 C ATOM 245 O ALA A 18 7.439 -6.828 -8.877 1.00 0.00 O ATOM 246 CB ALA A 18 5.491 -6.601 -6.268 1.00 0.00 C ATOM 0 H ALA A 18 8.545 -7.056 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 18 6.212 -8.599 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.522 -6.806 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.411 -6.700 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.802 -5.587 -6.518 1.00 0.00 H new ATOM 252 N THR A 19 5.698 -8.250 -8.979 1.00 0.00 N ATOM 253 CA THR A 19 5.661 -8.274 -10.436 1.00 0.00 C ATOM 254 C THR A 19 5.498 -6.869 -11.005 1.00 0.00 C ATOM 255 O THR A 19 5.068 -5.941 -10.319 1.00 0.00 O ATOM 256 CB THR A 19 4.514 -9.162 -10.955 1.00 0.00 C ATOM 257 OG1 THR A 19 3.431 -9.159 -10.018 1.00 0.00 O ATOM 258 CG2 THR A 19 4.994 -10.588 -11.180 1.00 0.00 C ATOM 0 H THR A 19 4.989 -8.830 -8.530 1.00 0.00 H new ATOM 0 HA THR A 19 6.612 -8.690 -10.769 1.00 0.00 H new ATOM 0 HB THR A 19 4.171 -8.757 -11.907 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.705 -9.724 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.167 -11.197 -11.546 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.799 -10.589 -11.915 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.360 -11.001 -10.240 1.00 0.00 H new ATOM 266 N PRO A 20 5.846 -6.706 -12.289 1.00 0.00 N ATOM 267 CA PRO A 20 5.746 -5.417 -12.979 1.00 0.00 C ATOM 268 C PRO A 20 4.300 -4.997 -13.218 1.00 0.00 C ATOM 269 O PRO A 20 3.948 -3.829 -13.059 1.00 0.00 O ATOM 270 CB PRO A 20 6.456 -5.671 -14.312 1.00 0.00 C ATOM 271 CG PRO A 20 6.331 -7.139 -14.533 1.00 0.00 C ATOM 272 CD PRO A 20 6.365 -7.768 -13.167 1.00 0.00 C ATOM 0 HA PRO A 20 6.184 -4.608 -12.394 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.992 -5.108 -15.122 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.501 -5.365 -14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.401 -7.378 -15.050 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.146 -7.511 -15.154 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.747 -8.664 -13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.376 -8.064 -12.886 1.00 0.00 H new ATOM 280 N ALA A 21 3.465 -5.960 -13.598 1.00 0.00 N ATOM 281 CA ALA A 21 2.055 -5.690 -13.855 1.00 0.00 C ATOM 282 C ALA A 21 1.356 -5.180 -12.599 1.00 0.00 C ATOM 283 O ALA A 21 0.418 -4.386 -12.677 1.00 0.00 O ATOM 284 CB ALA A 21 1.365 -6.942 -14.374 1.00 0.00 C ATOM 0 H ALA A 21 3.740 -6.933 -13.734 1.00 0.00 H new ATOM 0 HA ALA A 21 1.992 -4.912 -14.615 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.313 -6.726 -14.562 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.841 -7.262 -15.301 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.446 -7.736 -13.632 1.00 0.00 H new ATOM 290 N VAL A 22 1.818 -5.642 -11.441 1.00 0.00 N ATOM 291 CA VAL A 22 1.237 -5.233 -10.169 1.00 0.00 C ATOM 292 C VAL A 22 1.827 -3.909 -9.696 1.00 0.00 C ATOM 293 O VAL A 22 1.119 -3.062 -9.150 1.00 0.00 O ATOM 294 CB VAL A 22 1.460 -6.300 -9.080 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.891 -5.832 -7.749 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.840 -7.624 -9.498 1.00 0.00 C ATOM 0 H VAL A 22 2.593 -6.300 -11.358 1.00 0.00 H new ATOM 0 HA VAL A 22 0.166 -5.112 -10.335 1.00 0.00 H new ATOM 0 HB VAL A 22 2.533 -6.450 -8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.058 -6.599 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.386 -4.909 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.179 -5.652 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.007 -8.366 -8.717 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.231 -7.492 -9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.299 -7.964 -10.426 1.00 0.00 H new ATOM 306 N ARG A 23 3.127 -3.737 -9.909 1.00 0.00 N ATOM 307 CA ARG A 23 3.812 -2.516 -9.503 1.00 0.00 C ATOM 308 C ARG A 23 3.138 -1.288 -10.108 1.00 0.00 C ATOM 309 O ARG A 23 3.305 -0.171 -9.616 1.00 0.00 O ATOM 310 CB ARG A 23 5.281 -2.565 -9.928 1.00 0.00 C ATOM 311 CG ARG A 23 6.168 -3.343 -8.968 1.00 0.00 C ATOM 312 CD ARG A 23 7.545 -3.595 -9.561 1.00 0.00 C ATOM 313 NE ARG A 23 8.455 -2.477 -9.326 1.00 0.00 N ATOM 314 CZ ARG A 23 9.572 -2.281 -10.018 1.00 0.00 C ATOM 315 NH1 ARG A 23 9.915 -3.123 -10.982 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.348 -1.240 -9.745 1.00 0.00 N ATOM 0 H ARG A 23 3.727 -4.427 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 23 3.757 -2.442 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.349 -3.016 -10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.660 -1.547 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.269 -2.789 -8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.696 -4.295 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.966 -4.502 -9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.452 -3.767 -10.633 1.00 0.00 H new ATOM 0 HE ARG A 23 8.220 -1.810 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.321 -3.924 -11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.773 -2.970 -11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.087 -0.590 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.206 -1.090 -10.276 1.00 0.00 H new ATOM 330 N ARG A 24 2.378 -1.502 -11.176 1.00 0.00 N ATOM 331 CA ARG A 24 1.681 -0.413 -11.849 1.00 0.00 C ATOM 332 C ARG A 24 0.304 -0.186 -11.231 1.00 0.00 C ATOM 333 O ARG A 24 -0.151 0.952 -11.103 1.00 0.00 O ATOM 334 CB ARG A 24 1.538 -0.714 -13.341 1.00 0.00 C ATOM 335 CG ARG A 24 0.318 -0.071 -13.980 1.00 0.00 C ATOM 336 CD ARG A 24 0.508 0.123 -15.476 1.00 0.00 C ATOM 337 NE ARG A 24 -0.758 0.064 -16.200 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.845 -0.113 -17.514 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.254 -0.247 -18.243 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.034 -0.154 -18.101 1.00 0.00 N ATOM 0 H ARG A 24 2.229 -2.420 -11.594 1.00 0.00 H new ATOM 0 HA ARG A 24 2.272 0.495 -11.724 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.433 -0.369 -13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.484 -1.794 -13.481 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.558 -0.694 -13.802 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.125 0.893 -13.509 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.986 1.085 -15.659 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.181 -0.645 -15.859 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.623 0.164 -15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.170 -0.214 -17.795 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.184 -0.383 -19.251 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.882 -0.050 -17.544 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.100 -0.290 -19.110 1.00 0.00 H new ATOM 354 N LEU A 25 -0.356 -1.274 -10.852 1.00 0.00 N ATOM 355 CA LEU A 25 -1.681 -1.195 -10.247 1.00 0.00 C ATOM 356 C LEU A 25 -1.703 -0.174 -9.115 1.00 0.00 C ATOM 357 O LEU A 25 -2.760 0.338 -8.748 1.00 0.00 O ATOM 358 CB LEU A 25 -2.107 -2.567 -9.721 1.00 0.00 C ATOM 359 CG LEU A 25 -3.612 -2.795 -9.583 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.324 -2.473 -10.887 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.898 -4.227 -9.156 1.00 0.00 C ATOM 0 H LEU A 25 0.005 -2.223 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.385 -0.873 -11.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.704 -3.330 -10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.646 -2.719 -8.745 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.991 -2.125 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.394 -2.642 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.148 -1.430 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.941 -3.116 -11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.974 -4.371 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.503 -4.915 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.421 -4.422 -8.195 1.00 0.00 H new ATOM 373 N ALA A 26 -0.529 0.118 -8.565 1.00 0.00 N ATOM 374 CA ALA A 26 -0.412 1.081 -7.478 1.00 0.00 C ATOM 375 C ALA A 26 -0.145 2.484 -8.012 1.00 0.00 C ATOM 376 O ALA A 26 -0.744 3.457 -7.556 1.00 0.00 O ATOM 377 CB ALA A 26 0.689 0.661 -6.516 1.00 0.00 C ATOM 0 H ALA A 26 0.355 -0.299 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.360 1.101 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.765 1.390 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.454 -0.318 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.638 0.610 -7.049 1.00 0.00 H new ATOM 383 N MET A 27 0.760 2.580 -8.980 1.00 0.00 N ATOM 384 CA MET A 27 1.108 3.865 -9.577 1.00 0.00 C ATOM 385 C MET A 27 -0.106 4.497 -10.249 1.00 0.00 C ATOM 386 O MET A 27 -0.151 5.710 -10.457 1.00 0.00 O ATOM 387 CB MET A 27 2.236 3.690 -10.595 1.00 0.00 C ATOM 388 CG MET A 27 1.743 3.408 -12.006 1.00 0.00 C ATOM 389 SD MET A 27 3.092 3.184 -13.181 1.00 0.00 S ATOM 390 CE MET A 27 2.792 4.545 -14.304 1.00 0.00 C ATOM 0 H MET A 27 1.266 1.784 -9.368 1.00 0.00 H new ATOM 0 HA MET A 27 1.447 4.528 -8.781 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.848 4.592 -10.606 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.881 2.872 -10.274 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.121 2.513 -11.997 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.111 4.232 -12.337 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.547 4.541 -15.090 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.803 4.438 -14.750 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.843 5.486 -13.757 1.00 0.00 H new ATOM 400 N GLU A 28 -1.090 3.668 -10.588 1.00 0.00 N ATOM 401 CA GLU A 28 -2.303 4.148 -11.237 1.00 0.00 C ATOM 402 C GLU A 28 -3.369 4.503 -10.206 1.00 0.00 C ATOM 403 O GLU A 28 -4.262 5.307 -10.471 1.00 0.00 O ATOM 404 CB GLU A 28 -2.844 3.091 -12.203 1.00 0.00 C ATOM 405 CG GLU A 28 -1.961 2.868 -13.419 1.00 0.00 C ATOM 406 CD GLU A 28 -2.235 3.863 -14.529 1.00 0.00 C ATOM 407 OE1 GLU A 28 -3.382 4.350 -14.619 1.00 0.00 O ATOM 408 OE2 GLU A 28 -1.304 4.156 -15.308 1.00 0.00 O ATOM 0 H GLU A 28 -1.070 2.662 -10.423 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.051 5.048 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.958 2.147 -11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.838 3.390 -12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.915 2.940 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.116 1.857 -13.796 1.00 0.00 H new ATOM 415 N ASN A 29 -3.267 3.898 -9.027 1.00 0.00 N ATOM 416 CA ASN A 29 -4.223 4.149 -7.953 1.00 0.00 C ATOM 417 C ASN A 29 -3.575 4.940 -6.821 1.00 0.00 C ATOM 418 O ASN A 29 -4.131 5.052 -5.730 1.00 0.00 O ATOM 419 CB ASN A 29 -4.777 2.829 -7.416 1.00 0.00 C ATOM 420 CG ASN A 29 -5.803 2.211 -8.346 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.937 2.682 -8.440 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.409 1.149 -9.040 1.00 0.00 N ATOM 0 H ASN A 29 -2.533 3.231 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.043 4.740 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.956 2.127 -7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.231 2.999 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.056 0.691 -9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.460 0.792 -8.931 1.00 0.00 H new ATOM 429 N ASN A 30 -2.393 5.487 -7.089 1.00 0.00 N ATOM 430 CA ASN A 30 -1.668 6.267 -6.094 1.00 0.00 C ATOM 431 C ASN A 30 -1.528 5.488 -4.789 1.00 0.00 C ATOM 432 O ASN A 30 -1.721 6.037 -3.704 1.00 0.00 O ATOM 433 CB ASN A 30 -2.385 7.594 -5.835 1.00 0.00 C ATOM 434 CG ASN A 30 -1.528 8.570 -5.051 1.00 0.00 C ATOM 435 OD1 ASN A 30 -0.864 9.475 -5.760 1.00 0.00 O flip ATOM 436 ND2 ASN A 30 -1.465 8.510 -3.823 1.00 0.00 N flip ATOM 0 H ASN A 30 -1.918 5.404 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.671 6.471 -6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.666 8.044 -6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.308 7.404 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.993 7.797 -3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.885 9.173 -3.309 1.00 0.00 H new ATOM 443 N ILE A 31 -1.189 4.208 -4.904 1.00 0.00 N ATOM 444 CA ILE A 31 -1.022 3.355 -3.734 1.00 0.00 C ATOM 445 C ILE A 31 0.452 3.189 -3.381 1.00 0.00 C ATOM 446 O ILE A 31 1.300 3.041 -4.262 1.00 0.00 O ATOM 447 CB ILE A 31 -1.644 1.965 -3.958 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.135 2.094 -4.278 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.435 1.087 -2.733 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.823 0.765 -4.499 1.00 0.00 C ATOM 0 H ILE A 31 -1.025 3.739 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.538 3.846 -2.909 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.148 1.495 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.630 2.618 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.255 2.709 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.880 0.108 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.367 0.972 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.907 1.552 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.877 0.933 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.354 0.247 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.735 0.156 -3.600 1.00 0.00 H new ATOM 462 N LYS A 32 0.752 3.213 -2.088 1.00 0.00 N ATOM 463 CA LYS A 32 2.124 3.062 -1.617 1.00 0.00 C ATOM 464 C LYS A 32 2.490 1.589 -1.470 1.00 0.00 C ATOM 465 O LYS A 32 2.207 0.968 -0.444 1.00 0.00 O ATOM 466 CB LYS A 32 2.306 3.780 -0.277 1.00 0.00 C ATOM 467 CG LYS A 32 2.265 5.293 -0.388 1.00 0.00 C ATOM 468 CD LYS A 32 0.850 5.825 -0.231 1.00 0.00 C ATOM 469 CE LYS A 32 0.505 6.074 1.228 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.594 7.068 1.378 1.00 0.00 N ATOM 0 H LYS A 32 0.063 3.336 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 32 2.787 3.511 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.525 3.453 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.259 3.482 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.907 5.732 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.665 5.599 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.745 6.753 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.143 5.112 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.211 5.135 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.391 6.430 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.799 7.209 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.305 7.972 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.447 6.717 0.898 1.00 0.00 H new ATOM 484 N LEU A 33 3.120 1.035 -2.499 1.00 0.00 N ATOM 485 CA LEU A 33 3.526 -0.366 -2.485 1.00 0.00 C ATOM 486 C LEU A 33 3.945 -0.796 -1.083 1.00 0.00 C ATOM 487 O LEU A 33 3.403 -1.752 -0.528 1.00 0.00 O ATOM 488 CB LEU A 33 4.677 -0.593 -3.466 1.00 0.00 C ATOM 489 CG LEU A 33 4.279 -0.995 -4.887 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.511 -1.329 -5.713 1.00 0.00 C ATOM 491 CD2 LEU A 33 3.318 -2.175 -4.858 1.00 0.00 C ATOM 0 H LEU A 33 3.361 1.535 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 33 2.672 -0.970 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.267 0.322 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.327 -1.368 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 33 3.772 -0.150 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.207 -1.613 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.163 -0.457 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.047 -2.157 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.045 -2.447 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.799 -3.024 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.421 -1.900 -4.304 1.00 0.00 H new ATOM 503 N SER A 34 4.913 -0.084 -0.515 1.00 0.00 N ATOM 504 CA SER A 34 5.406 -0.392 0.823 1.00 0.00 C ATOM 505 C SER A 34 4.249 -0.541 1.807 1.00 0.00 C ATOM 506 O SER A 34 4.259 -1.426 2.661 1.00 0.00 O ATOM 507 CB SER A 34 6.362 0.702 1.302 1.00 0.00 C ATOM 508 OG SER A 34 6.925 0.370 2.559 1.00 0.00 O ATOM 0 H SER A 34 5.372 0.711 -0.961 1.00 0.00 H new ATOM 0 HA SER A 34 5.944 -1.339 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.157 0.842 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.828 1.649 1.378 1.00 0.00 H new ATOM 0 HG SER A 34 7.534 1.083 2.844 1.00 0.00 H new ATOM 514 N GLU A 35 3.256 0.333 1.680 1.00 0.00 N ATOM 515 CA GLU A 35 2.093 0.300 2.559 1.00 0.00 C ATOM 516 C GLU A 35 1.237 -0.933 2.282 1.00 0.00 C ATOM 517 O GLU A 35 0.508 -1.404 3.155 1.00 0.00 O ATOM 518 CB GLU A 35 1.254 1.568 2.379 1.00 0.00 C ATOM 519 CG GLU A 35 1.998 2.844 2.735 1.00 0.00 C ATOM 520 CD GLU A 35 2.443 2.877 4.183 1.00 0.00 C ATOM 521 OE1 GLU A 35 3.405 2.157 4.524 1.00 0.00 O ATOM 522 OE2 GLU A 35 1.830 3.621 4.977 1.00 0.00 O ATOM 0 H GLU A 35 3.233 1.072 0.978 1.00 0.00 H new ATOM 0 HA GLU A 35 2.448 0.251 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.920 1.629 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.360 1.493 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.870 2.943 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.355 3.702 2.537 1.00 0.00 H new ATOM 529 N VAL A 36 1.330 -1.448 1.061 1.00 0.00 N ATOM 530 CA VAL A 36 0.565 -2.625 0.667 1.00 0.00 C ATOM 531 C VAL A 36 1.149 -3.891 1.284 1.00 0.00 C ATOM 532 O VAL A 36 2.278 -4.280 0.979 1.00 0.00 O ATOM 533 CB VAL A 36 0.526 -2.785 -0.864 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.442 -3.888 -1.262 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.149 -1.468 -1.527 1.00 0.00 C ATOM 0 H VAL A 36 1.928 -1.069 0.327 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.451 -2.479 1.035 1.00 0.00 H new ATOM 0 HB VAL A 36 1.521 -3.067 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.456 -3.986 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.123 -4.830 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.442 -3.640 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.126 -1.599 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.835 -1.154 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.885 -0.707 -1.269 1.00 0.00 H new ATOM 545 N VAL A 37 0.375 -4.533 2.153 1.00 0.00 N ATOM 546 CA VAL A 37 0.814 -5.757 2.812 1.00 0.00 C ATOM 547 C VAL A 37 0.904 -6.912 1.822 1.00 0.00 C ATOM 548 O VAL A 37 -0.096 -7.562 1.520 1.00 0.00 O ATOM 549 CB VAL A 37 -0.136 -6.149 3.958 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.331 -7.436 4.623 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.239 -5.023 4.975 1.00 0.00 C ATOM 0 H VAL A 37 -0.561 -4.225 2.417 1.00 0.00 H new ATOM 0 HA VAL A 37 1.804 -5.558 3.223 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.128 -6.322 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.353 -7.697 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.348 -8.240 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.333 -7.294 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.915 -5.318 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.748 -4.816 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.624 -4.127 4.488 1.00 0.00 H new ATOM 561 N GLY A 38 2.108 -7.163 1.320 1.00 0.00 N ATOM 562 CA GLY A 38 2.307 -8.241 0.369 1.00 0.00 C ATOM 563 C GLY A 38 1.805 -9.573 0.889 1.00 0.00 C ATOM 564 O GLY A 38 1.529 -9.718 2.081 1.00 0.00 O ATOM 0 H GLY A 38 2.951 -6.639 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.792 -8.000 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.368 -8.323 0.134 1.00 0.00 H new ATOM 627 N ARG A 44 6.583 -10.970 -1.403 1.00 0.00 N ATOM 628 CA ARG A 44 6.274 -10.503 -2.749 1.00 0.00 C ATOM 629 C ARG A 44 4.813 -10.074 -2.854 1.00 0.00 C ATOM 630 O ARG A 44 3.904 -10.891 -2.711 1.00 0.00 O ATOM 631 CB ARG A 44 6.568 -11.603 -3.772 1.00 0.00 C ATOM 632 CG ARG A 44 6.370 -11.162 -5.214 1.00 0.00 C ATOM 633 CD ARG A 44 6.602 -12.309 -6.183 1.00 0.00 C ATOM 634 NE ARG A 44 7.978 -12.796 -6.138 1.00 0.00 N ATOM 635 CZ ARG A 44 8.339 -14.014 -6.524 1.00 0.00 C ATOM 636 NH1 ARG A 44 7.432 -14.865 -6.984 1.00 0.00 N ATOM 637 NH2 ARG A 44 9.612 -14.383 -6.453 1.00 0.00 N ATOM 0 HA ARG A 44 6.904 -9.639 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.596 -11.943 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.922 -12.457 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.359 -10.775 -5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.055 -10.346 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.921 -13.126 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.367 -11.981 -7.196 1.00 0.00 H new ATOM 0 HE ARG A 44 8.701 -12.166 -5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.453 -14.585 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.713 -15.800 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.313 -13.731 -6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.889 -15.319 -6.750 1.00 0.00 H new ATOM 651 N ILE A 45 4.598 -8.786 -3.104 1.00 0.00 N ATOM 652 CA ILE A 45 3.249 -8.249 -3.229 1.00 0.00 C ATOM 653 C ILE A 45 2.576 -8.740 -4.506 1.00 0.00 C ATOM 654 O ILE A 45 3.151 -8.662 -5.593 1.00 0.00 O ATOM 655 CB ILE A 45 3.253 -6.709 -3.224 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.044 -6.184 -2.024 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.829 -6.175 -3.202 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.645 -4.813 -2.249 1.00 0.00 C ATOM 0 H ILE A 45 5.340 -8.096 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 45 2.687 -8.606 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 45 3.737 -6.358 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.387 -6.146 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.843 -6.888 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.849 -5.085 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.295 -6.525 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.321 -6.531 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.191 -4.504 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.328 -4.850 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.850 -4.096 -2.454 1.00 0.00 H new ATOM 670 N LEU A 46 1.355 -9.246 -4.368 1.00 0.00 N ATOM 671 CA LEU A 46 0.603 -9.749 -5.513 1.00 0.00 C ATOM 672 C LEU A 46 -0.501 -8.774 -5.910 1.00 0.00 C ATOM 673 O LEU A 46 -0.790 -7.818 -5.188 1.00 0.00 O ATOM 674 CB LEU A 46 -0.001 -11.116 -5.190 1.00 0.00 C ATOM 675 CG LEU A 46 0.986 -12.200 -4.755 1.00 0.00 C ATOM 676 CD1 LEU A 46 0.256 -13.503 -4.469 1.00 0.00 C ATOM 677 CD2 LEU A 46 2.053 -12.407 -5.820 1.00 0.00 C ATOM 0 H LEU A 46 0.865 -9.319 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 46 1.291 -9.851 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.740 -10.987 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.536 -11.472 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 46 1.475 -11.873 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.975 -14.263 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.470 -13.346 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.260 -13.836 -5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.747 -13.182 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.581 -12.712 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.597 -11.475 -5.976 1.00 0.00 H new ATOM 689 N LYS A 47 -1.117 -9.022 -7.061 1.00 0.00 N ATOM 690 CA LYS A 47 -2.191 -8.170 -7.554 1.00 0.00 C ATOM 691 C LYS A 47 -3.334 -8.095 -6.545 1.00 0.00 C ATOM 692 O LYS A 47 -3.909 -7.031 -6.323 1.00 0.00 O ATOM 693 CB LYS A 47 -2.714 -8.694 -8.893 1.00 0.00 C ATOM 694 CG LYS A 47 -4.025 -8.061 -9.324 1.00 0.00 C ATOM 695 CD LYS A 47 -4.221 -8.155 -10.829 1.00 0.00 C ATOM 696 CE LYS A 47 -5.627 -7.737 -11.235 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.782 -7.681 -12.715 1.00 0.00 N ATOM 0 H LYS A 47 -0.890 -9.808 -7.670 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.788 -7.167 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.963 -8.514 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.847 -9.774 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.853 -8.556 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.043 -7.015 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.492 -7.520 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.035 -9.177 -11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.349 -8.440 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.853 -6.760 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.753 -7.393 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.110 -6.991 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.591 -8.620 -13.120 1.00 0.00 H new ATOM 711 N GLU A 48 -3.654 -9.233 -5.936 1.00 0.00 N ATOM 712 CA GLU A 48 -4.727 -9.296 -4.951 1.00 0.00 C ATOM 713 C GLU A 48 -4.531 -8.241 -3.866 1.00 0.00 C ATOM 714 O GLU A 48 -5.430 -7.446 -3.589 1.00 0.00 O ATOM 715 CB GLU A 48 -4.789 -10.687 -4.319 1.00 0.00 C ATOM 716 CG GLU A 48 -4.915 -11.812 -5.333 1.00 0.00 C ATOM 717 CD GLU A 48 -5.651 -13.016 -4.781 1.00 0.00 C ATOM 718 OE1 GLU A 48 -5.057 -13.753 -3.966 1.00 0.00 O ATOM 719 OE2 GLU A 48 -6.823 -13.222 -5.162 1.00 0.00 O ATOM 0 H GLU A 48 -3.186 -10.123 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.668 -9.096 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.891 -10.846 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.637 -10.729 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.439 -11.444 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.920 -12.117 -5.657 1.00 0.00 H new ATOM 726 N ASP A 49 -3.352 -8.241 -3.255 1.00 0.00 N ATOM 727 CA ASP A 49 -3.037 -7.284 -2.200 1.00 0.00 C ATOM 728 C ASP A 49 -3.535 -5.889 -2.565 1.00 0.00 C ATOM 729 O ASP A 49 -4.181 -5.219 -1.759 1.00 0.00 O ATOM 730 CB ASP A 49 -1.529 -7.250 -1.946 1.00 0.00 C ATOM 731 CG ASP A 49 -0.985 -8.596 -1.509 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.739 -9.361 -0.871 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.194 -8.884 -1.805 1.00 0.00 O ATOM 0 H ASP A 49 -2.598 -8.893 -3.472 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.544 -7.605 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.018 -6.932 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.309 -6.506 -1.180 1.00 0.00 H new ATOM 738 N ILE A 50 -3.229 -5.458 -3.785 1.00 0.00 N ATOM 739 CA ILE A 50 -3.646 -4.143 -4.256 1.00 0.00 C ATOM 740 C ILE A 50 -5.147 -3.943 -4.073 1.00 0.00 C ATOM 741 O ILE A 50 -5.583 -2.990 -3.427 1.00 0.00 O ATOM 742 CB ILE A 50 -3.290 -3.938 -5.740 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.781 -4.080 -5.950 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.771 -2.576 -6.217 1.00 0.00 C ATOM 745 CD1 ILE A 50 -1.002 -2.833 -5.591 1.00 0.00 C ATOM 0 H ILE A 50 -2.694 -6.000 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.108 -3.408 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.793 -4.706 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.415 -4.913 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.589 -4.331 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.512 -2.446 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.853 -2.510 -6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.294 -1.794 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.060 -3.005 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.341 -2.002 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.164 -2.593 -4.540 1.00 0.00 H new ATOM 757 N LEU A 51 -5.933 -4.850 -4.642 1.00 0.00 N ATOM 758 CA LEU A 51 -7.386 -4.776 -4.541 1.00 0.00 C ATOM 759 C LEU A 51 -7.828 -4.714 -3.083 1.00 0.00 C ATOM 760 O LEU A 51 -8.942 -4.293 -2.778 1.00 0.00 O ATOM 761 CB LEU A 51 -8.027 -5.982 -5.229 1.00 0.00 C ATOM 762 CG LEU A 51 -7.883 -6.043 -6.751 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.142 -7.453 -7.255 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.830 -5.054 -7.415 1.00 0.00 C ATOM 0 H LEU A 51 -5.588 -5.646 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.714 -3.864 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.594 -6.889 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.089 -5.992 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.861 -5.769 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.035 -7.477 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.424 -8.138 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.153 -7.757 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.715 -5.110 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.858 -5.298 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.597 -4.044 -7.077 1.00 0.00 H new ATOM 776 N ASN A 52 -6.943 -5.135 -2.184 1.00 0.00 N ATOM 777 CA ASN A 52 -7.241 -5.126 -0.755 1.00 0.00 C ATOM 778 C ASN A 52 -6.792 -3.816 -0.115 1.00 0.00 C ATOM 779 O ASN A 52 -7.245 -3.459 0.973 1.00 0.00 O ATOM 780 CB ASN A 52 -6.556 -6.306 -0.063 1.00 0.00 C ATOM 781 CG ASN A 52 -7.165 -7.639 -0.456 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.381 -7.761 -0.598 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.317 -8.647 -0.633 1.00 0.00 N ATOM 0 H ASN A 52 -6.015 -5.486 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.320 -5.219 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.495 -6.306 -0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.627 -6.181 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.667 -9.568 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.316 -8.500 -0.504 1.00 0.00 H new ATOM 790 N TYR A 53 -5.902 -3.105 -0.797 1.00 0.00 N ATOM 791 CA TYR A 53 -5.391 -1.836 -0.294 1.00 0.00 C ATOM 792 C TYR A 53 -6.362 -0.699 -0.597 1.00 0.00 C ATOM 793 O TYR A 53 -6.491 0.248 0.180 1.00 0.00 O ATOM 794 CB TYR A 53 -4.024 -1.532 -0.911 1.00 0.00 C ATOM 795 CG TYR A 53 -3.448 -0.202 -0.480 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.937 0.991 -1.000 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.414 -0.138 0.446 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.412 2.208 -0.609 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.885 1.074 0.844 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.387 2.245 0.314 1.00 0.00 C ATOM 801 OH TYR A 53 -1.861 3.454 0.706 1.00 0.00 O ATOM 0 H TYR A 53 -5.519 -3.386 -1.700 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.284 -1.920 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.328 -2.325 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.114 -1.545 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.740 0.966 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.017 -1.052 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.802 3.126 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.083 1.105 1.566 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.148 3.304 1.361 1.00 0.00 H new ATOM 811 N LEU A 54 -7.046 -0.800 -1.733 1.00 0.00 N ATOM 812 CA LEU A 54 -8.007 0.219 -2.140 1.00 0.00 C ATOM 813 C LEU A 54 -9.246 0.185 -1.250 1.00 0.00 C ATOM 814 O LEU A 54 -9.817 1.225 -0.926 1.00 0.00 O ATOM 815 CB LEU A 54 -8.408 0.014 -3.601 1.00 0.00 C ATOM 816 CG LEU A 54 -7.323 0.295 -4.641 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.520 -0.579 -5.870 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.322 1.767 -5.027 1.00 0.00 C ATOM 0 H LEU A 54 -6.952 -1.577 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.533 1.195 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.743 -1.016 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.263 0.655 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.355 0.054 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.738 -0.364 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.469 -1.629 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.494 -0.371 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.543 1.948 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.292 2.034 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.130 2.375 -4.143 1.00 0.00 H new ATOM 830 N GLU A 55 -9.654 -1.018 -0.861 1.00 0.00 N ATOM 831 CA GLU A 55 -10.825 -1.187 -0.007 1.00 0.00 C ATOM 832 C GLU A 55 -10.574 -0.609 1.382 1.00 0.00 C ATOM 833 O GLU A 55 -11.507 -0.209 2.079 1.00 0.00 O ATOM 834 CB GLU A 55 -11.194 -2.668 0.104 1.00 0.00 C ATOM 835 CG GLU A 55 -10.252 -3.465 0.991 1.00 0.00 C ATOM 836 CD GLU A 55 -10.907 -4.701 1.575 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.796 -5.274 0.910 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.530 -5.096 2.699 1.00 0.00 O ATOM 0 H GLU A 55 -9.193 -1.889 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.655 -0.646 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.208 -2.753 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.200 -3.108 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.377 -3.761 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.897 -2.829 1.802 1.00 0.00 H new