USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 630 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 92 MET CE :methyl 174:sc= 0 (180deg=-0.0336) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -5.28! C(o=-6.8!,f=-5.3!) USER MOD Set 2.1: A 88 SER OG : rot -35:sc= 0.0465 USER MOD Set 2.2: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= -0.0268 USER MOD Set 3.2: A 68 LYS NZ :NH3+ 163:sc= 0.439 (180deg=0) USER MOD Set 3.3: A 95 GLN :FLIP amide:sc= 0.0455 F(o=-1.8,f=0.46) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.777 USER MOD Single : A 28 CYS SG : rot -150:sc= -0.0272 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.582 K(o=-0.58,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0384) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-6!) USER MOD Single : A 52 LYS NZ :NH3+ 154:sc=-0.00842 (180deg=-0.775) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.117 F(o=-4.4!,f=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 77:sc= 0.155 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0.449 (180deg=0.44) USER MOD Single : A 74 THR OG1 : rot -66:sc= 0.869 USER MOD Single : A 75 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.3!) USER MOD Single : A 78 SER OG : rot 41:sc= -0.907 USER MOD Single : A 82 TYR OH : rot 130:sc= -0.14 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -4.063 3.755 -7.605 1.00 0.00 N ATOM 270 CA ASP A 21 -5.377 3.148 -7.429 1.00 0.00 C ATOM 271 C ASP A 21 -5.297 1.936 -6.507 1.00 0.00 C ATOM 272 O ASP A 21 -4.699 0.917 -6.854 1.00 0.00 O ATOM 273 CB ASP A 21 -5.958 2.737 -8.783 1.00 0.00 C ATOM 274 CG ASP A 21 -7.474 2.766 -8.795 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.047 3.876 -8.755 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.088 1.680 -8.845 1.00 0.00 O ATOM 0 HA ASP A 21 -6.033 3.888 -6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.579 3.405 -9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.615 1.733 -9.033 1.00 0.00 H new ATOM 281 N TYR A 22 -5.901 2.054 -5.330 1.00 0.00 N ATOM 282 CA TYR A 22 -5.895 0.969 -4.355 1.00 0.00 C ATOM 283 C TYR A 22 -5.956 -0.388 -5.051 1.00 0.00 C ATOM 284 O TYR A 22 -5.257 -1.326 -4.668 1.00 0.00 O ATOM 285 CB TYR A 22 -7.074 1.114 -3.392 1.00 0.00 C ATOM 286 CG TYR A 22 -6.952 2.298 -2.459 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.288 2.184 -1.244 1.00 0.00 C ATOM 288 CD2 TYR A 22 -7.501 3.530 -2.793 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.174 3.262 -0.388 1.00 0.00 C ATOM 290 CE2 TYR A 22 -7.390 4.614 -1.944 1.00 0.00 C ATOM 291 CZ TYR A 22 -6.726 4.476 -0.743 1.00 0.00 C ATOM 292 OH TYR A 22 -6.615 5.553 0.106 1.00 0.00 O ATOM 0 H TYR A 22 -6.401 2.890 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.964 1.027 -3.790 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.994 1.210 -3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.163 0.203 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.853 1.236 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.023 3.642 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.656 3.155 0.554 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.821 5.565 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.057 6.331 -0.293 1.00 0.00 H new ATOM 302 N TYR A 23 -6.797 -0.483 -6.074 1.00 0.00 N ATOM 303 CA TYR A 23 -6.953 -1.725 -6.823 1.00 0.00 C ATOM 304 C TYR A 23 -5.729 -1.992 -7.694 1.00 0.00 C ATOM 305 O TYR A 23 -5.234 -3.117 -7.763 1.00 0.00 O ATOM 306 CB TYR A 23 -8.209 -1.666 -7.693 1.00 0.00 C ATOM 307 CG TYR A 23 -9.477 -2.026 -6.951 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.773 -3.348 -6.643 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.378 -1.044 -6.559 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.930 -3.682 -5.966 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.537 -1.368 -5.881 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.808 -2.688 -5.587 1.00 0.00 C ATOM 313 OH TYR A 23 -12.962 -3.016 -4.912 1.00 0.00 O ATOM 0 H TYR A 23 -7.382 0.285 -6.404 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.053 -2.541 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.310 -0.661 -8.102 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.088 -2.344 -8.538 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.087 -4.128 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.169 -0.010 -6.788 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.146 -4.715 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.227 -0.592 -5.583 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.470 -2.201 -4.717 1.00 0.00 H new ATOM 323 N THR A 24 -5.244 -0.947 -8.359 1.00 0.00 N ATOM 324 CA THR A 24 -4.079 -1.067 -9.226 1.00 0.00 C ATOM 325 C THR A 24 -2.849 -1.499 -8.438 1.00 0.00 C ATOM 326 O THR A 24 -2.143 -2.430 -8.829 1.00 0.00 O ATOM 327 CB THR A 24 -3.775 0.261 -9.944 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.856 0.606 -10.817 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.484 0.161 -10.743 1.00 0.00 C ATOM 0 H THR A 24 -5.641 -0.008 -8.313 1.00 0.00 H new ATOM 0 HA THR A 24 -4.315 -1.828 -9.970 1.00 0.00 H new ATOM 0 HB THR A 24 -3.657 1.038 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.655 1.453 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.290 1.111 -11.241 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.658 -0.072 -10.071 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.578 -0.628 -11.489 1.00 0.00 H new ATOM 337 N LEU A 25 -2.596 -0.819 -7.325 1.00 0.00 N ATOM 338 CA LEU A 25 -1.449 -1.133 -6.480 1.00 0.00 C ATOM 339 C LEU A 25 -1.298 -2.641 -6.306 1.00 0.00 C ATOM 340 O LEU A 25 -0.202 -3.186 -6.446 1.00 0.00 O ATOM 341 CB LEU A 25 -1.600 -0.464 -5.113 1.00 0.00 C ATOM 342 CG LEU A 25 -1.933 1.028 -5.129 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.015 1.573 -3.711 1.00 0.00 C ATOM 344 CD2 LEU A 25 -0.899 1.797 -5.938 1.00 0.00 C ATOM 0 H LEU A 25 -3.170 -0.047 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.553 -0.750 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.382 -0.984 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.672 -0.603 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.906 1.158 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.253 2.636 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.794 1.043 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.057 1.430 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.152 2.857 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.087 1.660 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.890 1.426 -6.963 1.00 0.00 H new ATOM 356 N LEU A 26 -2.404 -3.311 -6.003 1.00 0.00 N ATOM 357 CA LEU A 26 -2.396 -4.757 -5.813 1.00 0.00 C ATOM 358 C LEU A 26 -2.854 -5.475 -7.079 1.00 0.00 C ATOM 359 O LEU A 26 -2.906 -6.703 -7.123 1.00 0.00 O ATOM 360 CB LEU A 26 -3.297 -5.142 -4.639 1.00 0.00 C ATOM 361 CG LEU A 26 -3.069 -4.374 -3.337 1.00 0.00 C ATOM 362 CD1 LEU A 26 -4.157 -4.701 -2.327 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.695 -4.691 -2.765 1.00 0.00 C ATOM 0 H LEU A 26 -3.319 -2.876 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.374 -5.064 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.335 -5.003 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.164 -6.205 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.113 -3.307 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.978 -4.145 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.128 -4.423 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.146 -5.770 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.550 -4.136 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.623 -5.760 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.927 -4.405 -3.484 1.00 0.00 H new ATOM 375 N GLY A 27 -3.184 -4.700 -8.107 1.00 0.00 N ATOM 376 CA GLY A 27 -3.631 -5.279 -9.360 1.00 0.00 C ATOM 377 C GLY A 27 -4.805 -6.221 -9.176 1.00 0.00 C ATOM 378 O GLY A 27 -4.905 -7.239 -9.863 1.00 0.00 O ATOM 0 H GLY A 27 -3.150 -3.681 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.914 -4.480 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.805 -5.819 -9.823 1.00 0.00 H new ATOM 382 N CYS A 28 -5.693 -5.883 -8.248 1.00 0.00 N ATOM 383 CA CYS A 28 -6.864 -6.708 -7.975 1.00 0.00 C ATOM 384 C CYS A 28 -8.143 -5.996 -8.404 1.00 0.00 C ATOM 385 O CYS A 28 -8.100 -4.879 -8.919 1.00 0.00 O ATOM 386 CB CYS A 28 -6.934 -7.055 -6.487 1.00 0.00 C ATOM 387 SG CYS A 28 -7.312 -5.647 -5.418 1.00 0.00 S ATOM 0 H CYS A 28 -5.624 -5.044 -7.672 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.771 -7.629 -8.551 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.693 -7.824 -6.339 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.981 -7.485 -6.180 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.760 -5.825 -4.255 1.00 0.00 H new ATOM 393 N ASP A 29 -9.279 -6.650 -8.189 1.00 0.00 N ATOM 394 CA ASP A 29 -10.571 -6.080 -8.554 1.00 0.00 C ATOM 395 C ASP A 29 -11.655 -6.522 -7.576 1.00 0.00 C ATOM 396 O ASP A 29 -11.381 -7.234 -6.611 1.00 0.00 O ATOM 397 CB ASP A 29 -10.950 -6.492 -9.977 1.00 0.00 C ATOM 398 CG ASP A 29 -9.776 -6.421 -10.933 1.00 0.00 C ATOM 399 OD1 ASP A 29 -9.219 -5.317 -11.108 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.413 -7.470 -11.506 1.00 0.00 O ATOM 0 H ASP A 29 -9.332 -7.576 -7.764 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.488 -4.994 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.344 -7.508 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.749 -5.845 -10.339 1.00 0.00 H new ATOM 405 N GLU A 30 -12.887 -6.094 -7.834 1.00 0.00 N ATOM 406 CA GLU A 30 -14.012 -6.445 -6.975 1.00 0.00 C ATOM 407 C GLU A 30 -14.312 -7.939 -7.054 1.00 0.00 C ATOM 408 O GLU A 30 -15.018 -8.488 -6.207 1.00 0.00 O ATOM 409 CB GLU A 30 -15.254 -5.642 -7.370 1.00 0.00 C ATOM 410 CG GLU A 30 -15.602 -5.747 -8.846 1.00 0.00 C ATOM 411 CD GLU A 30 -17.031 -5.334 -9.139 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.331 -4.125 -9.045 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.849 -6.220 -9.462 1.00 0.00 O ATOM 0 H GLU A 30 -13.131 -5.505 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.742 -6.201 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.103 -5.987 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.095 -4.594 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.921 -5.120 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.449 -6.773 -9.180 1.00 0.00 H new ATOM 420 N LEU A 31 -13.772 -8.591 -8.078 1.00 0.00 N ATOM 421 CA LEU A 31 -13.981 -10.022 -8.270 1.00 0.00 C ATOM 422 C LEU A 31 -12.959 -10.832 -7.479 1.00 0.00 C ATOM 423 O LEU A 31 -13.199 -11.991 -7.141 1.00 0.00 O ATOM 424 CB LEU A 31 -13.891 -10.376 -9.755 1.00 0.00 C ATOM 425 CG LEU A 31 -14.854 -9.633 -10.682 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.294 -9.572 -12.095 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.221 -10.301 -10.677 1.00 0.00 C ATOM 0 H LEU A 31 -13.186 -8.152 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.977 -10.271 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.873 -10.184 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.066 -11.446 -9.864 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.969 -8.613 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.993 -9.040 -12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.338 -9.048 -12.085 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.150 -10.584 -12.473 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.893 -9.759 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.124 -11.331 -11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.627 -10.292 -9.665 1.00 0.00 H new ATOM 439 N SER A 32 -11.820 -10.214 -7.186 1.00 0.00 N ATOM 440 CA SER A 32 -10.761 -10.878 -6.436 1.00 0.00 C ATOM 441 C SER A 32 -11.114 -10.960 -4.954 1.00 0.00 C ATOM 442 O SER A 32 -11.779 -10.077 -4.413 1.00 0.00 O ATOM 443 CB SER A 32 -9.436 -10.135 -6.616 1.00 0.00 C ATOM 444 OG SER A 32 -8.926 -10.311 -7.927 1.00 0.00 O ATOM 0 H SER A 32 -11.607 -9.254 -7.457 1.00 0.00 H new ATOM 0 HA SER A 32 -10.656 -11.891 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.581 -9.073 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.710 -10.498 -5.888 1.00 0.00 H new ATOM 0 HG SER A 32 -8.080 -9.825 -8.017 1.00 0.00 H new ATOM 450 N SER A 33 -10.662 -12.027 -4.302 1.00 0.00 N ATOM 451 CA SER A 33 -10.933 -12.228 -2.883 1.00 0.00 C ATOM 452 C SER A 33 -9.707 -11.882 -2.043 1.00 0.00 C ATOM 453 O SER A 33 -8.572 -11.990 -2.506 1.00 0.00 O ATOM 454 CB SER A 33 -11.353 -13.675 -2.622 1.00 0.00 C ATOM 455 OG SER A 33 -12.457 -14.040 -3.433 1.00 0.00 O ATOM 0 H SER A 33 -10.107 -12.765 -4.734 1.00 0.00 H new ATOM 0 HA SER A 33 -11.748 -11.564 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.514 -14.342 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.614 -13.797 -1.571 1.00 0.00 H new ATOM 0 HG SER A 33 -12.705 -14.970 -3.249 1.00 0.00 H new ATOM 461 N VAL A 34 -9.946 -11.467 -0.803 1.00 0.00 N ATOM 462 CA VAL A 34 -8.863 -11.106 0.104 1.00 0.00 C ATOM 463 C VAL A 34 -7.706 -12.093 -0.001 1.00 0.00 C ATOM 464 O VAL A 34 -6.543 -11.696 -0.067 1.00 0.00 O ATOM 465 CB VAL A 34 -9.348 -11.056 1.565 1.00 0.00 C ATOM 466 CG1 VAL A 34 -8.173 -10.864 2.512 1.00 0.00 C ATOM 467 CG2 VAL A 34 -10.376 -9.949 1.747 1.00 0.00 C ATOM 0 H VAL A 34 -10.880 -11.372 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.520 -10.115 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.825 -12.007 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.535 -10.831 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.476 -11.694 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.665 -9.929 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.708 -9.928 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.927 -8.990 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.231 -10.135 1.097 1.00 0.00 H new ATOM 477 N GLU A 35 -8.034 -13.381 -0.018 1.00 0.00 N ATOM 478 CA GLU A 35 -7.020 -14.425 -0.116 1.00 0.00 C ATOM 479 C GLU A 35 -6.088 -14.170 -1.297 1.00 0.00 C ATOM 480 O GLU A 35 -4.871 -14.094 -1.134 1.00 0.00 O ATOM 481 CB GLU A 35 -7.682 -15.797 -0.262 1.00 0.00 C ATOM 482 CG GLU A 35 -8.427 -16.249 0.983 1.00 0.00 C ATOM 483 CD GLU A 35 -9.808 -15.633 1.093 1.00 0.00 C ATOM 484 OE1 GLU A 35 -10.657 -15.920 0.223 1.00 0.00 O ATOM 485 OE2 GLU A 35 -10.039 -14.863 2.048 1.00 0.00 O ATOM 0 H GLU A 35 -8.992 -13.726 0.035 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.430 -14.409 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.377 -15.768 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.918 -16.535 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.518 -17.335 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.845 -15.986 1.866 1.00 0.00 H new ATOM 492 N GLN A 36 -6.670 -14.039 -2.485 1.00 0.00 N ATOM 493 CA GLN A 36 -5.892 -13.794 -3.693 1.00 0.00 C ATOM 494 C GLN A 36 -5.198 -12.437 -3.628 1.00 0.00 C ATOM 495 O GLN A 36 -4.021 -12.314 -3.967 1.00 0.00 O ATOM 496 CB GLN A 36 -6.792 -13.860 -4.928 1.00 0.00 C ATOM 497 CG GLN A 36 -7.060 -15.277 -5.410 1.00 0.00 C ATOM 498 CD GLN A 36 -7.892 -16.080 -4.428 1.00 0.00 C ATOM 499 OE1 GLN A 36 -9.008 -15.693 -4.080 1.00 0.00 O ATOM 500 NE2 GLN A 36 -7.351 -17.205 -3.976 1.00 0.00 N ATOM 0 H GLN A 36 -7.677 -14.098 -2.636 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.129 -14.569 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.742 -13.376 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.330 -13.292 -5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.574 -15.239 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.111 -15.786 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.423 -17.487 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.863 -17.787 -3.313 1.00 0.00 H new ATOM 509 N ILE A 37 -5.936 -11.422 -3.191 1.00 0.00 N ATOM 510 CA ILE A 37 -5.391 -10.074 -3.081 1.00 0.00 C ATOM 511 C ILE A 37 -4.081 -10.073 -2.301 1.00 0.00 C ATOM 512 O ILE A 37 -3.039 -9.665 -2.815 1.00 0.00 O ATOM 513 CB ILE A 37 -6.385 -9.119 -2.395 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.694 -9.057 -3.185 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.777 -7.731 -2.256 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.840 -8.448 -2.408 1.00 0.00 C ATOM 0 H ILE A 37 -6.912 -11.507 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.207 -9.724 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.602 -9.500 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.533 -8.477 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.970 -10.065 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.492 -7.068 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.869 -7.790 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.533 -7.340 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.735 -8.436 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.028 -9.040 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.584 -7.428 -2.121 1.00 0.00 H new ATOM 528 N LEU A 38 -4.140 -10.534 -1.056 1.00 0.00 N ATOM 529 CA LEU A 38 -2.957 -10.589 -0.204 1.00 0.00 C ATOM 530 C LEU A 38 -1.762 -11.153 -0.965 1.00 0.00 C ATOM 531 O LEU A 38 -0.639 -10.670 -0.824 1.00 0.00 O ATOM 532 CB LEU A 38 -3.236 -11.442 1.035 1.00 0.00 C ATOM 533 CG LEU A 38 -3.837 -10.707 2.234 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.405 -11.699 3.237 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.793 -9.818 2.893 1.00 0.00 C ATOM 0 H LEU A 38 -4.994 -10.875 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.718 -9.572 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.913 -12.248 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.301 -11.906 1.350 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.650 -10.075 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.828 -11.158 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.184 -12.293 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.610 -12.357 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.239 -9.303 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.958 -10.430 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.433 -9.084 2.172 1.00 0.00 H new ATOM 547 N ALA A 39 -2.013 -12.178 -1.774 1.00 0.00 N ATOM 548 CA ALA A 39 -0.959 -12.805 -2.561 1.00 0.00 C ATOM 549 C ALA A 39 -0.300 -11.798 -3.498 1.00 0.00 C ATOM 550 O ALA A 39 0.925 -11.734 -3.592 1.00 0.00 O ATOM 551 CB ALA A 39 -1.518 -13.978 -3.353 1.00 0.00 C ATOM 0 H ALA A 39 -2.937 -12.591 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.198 -13.174 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.720 -14.437 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.935 -14.715 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.300 -13.624 -4.024 1.00 0.00 H new ATOM 557 N GLU A 40 -1.122 -11.015 -4.189 1.00 0.00 N ATOM 558 CA GLU A 40 -0.617 -10.012 -5.120 1.00 0.00 C ATOM 559 C GLU A 40 0.204 -8.955 -4.388 1.00 0.00 C ATOM 560 O GLU A 40 1.179 -8.428 -4.925 1.00 0.00 O ATOM 561 CB GLU A 40 -1.776 -9.347 -5.866 1.00 0.00 C ATOM 562 CG GLU A 40 -2.613 -10.319 -6.681 1.00 0.00 C ATOM 563 CD GLU A 40 -1.927 -10.745 -7.965 1.00 0.00 C ATOM 564 OE1 GLU A 40 -1.152 -11.724 -7.926 1.00 0.00 O ATOM 565 OE2 GLU A 40 -2.165 -10.101 -9.007 1.00 0.00 O ATOM 0 H GLU A 40 -2.139 -11.055 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 40 0.029 -10.514 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.419 -8.843 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.377 -8.579 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.828 -11.201 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.570 -9.856 -6.921 1.00 0.00 H new ATOM 572 N PHE A 41 -0.197 -8.648 -3.159 1.00 0.00 N ATOM 573 CA PHE A 41 0.500 -7.653 -2.353 1.00 0.00 C ATOM 574 C PHE A 41 1.880 -8.156 -1.941 1.00 0.00 C ATOM 575 O PHE A 41 2.804 -7.369 -1.733 1.00 0.00 O ATOM 576 CB PHE A 41 -0.322 -7.307 -1.109 1.00 0.00 C ATOM 577 CG PHE A 41 0.499 -6.737 0.012 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.998 -5.446 -0.064 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.773 -7.491 1.141 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.754 -4.918 0.966 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.527 -6.968 2.174 1.00 0.00 C ATOM 582 CZ PHE A 41 2.019 -5.681 2.086 1.00 0.00 C ATOM 0 H PHE A 41 -1.002 -9.074 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 41 0.626 -6.755 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.096 -6.590 -1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.829 -8.205 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.794 -4.846 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.393 -8.499 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.137 -3.911 0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.731 -7.566 3.050 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.610 -5.272 2.892 1.00 0.00 H new ATOM 592 N LYS A 42 2.013 -9.473 -1.825 1.00 0.00 N ATOM 593 CA LYS A 42 3.279 -10.084 -1.439 1.00 0.00 C ATOM 594 C LYS A 42 4.255 -10.099 -2.611 1.00 0.00 C ATOM 595 O LYS A 42 5.377 -9.603 -2.504 1.00 0.00 O ATOM 596 CB LYS A 42 3.048 -11.510 -0.935 1.00 0.00 C ATOM 597 CG LYS A 42 2.532 -11.575 0.492 1.00 0.00 C ATOM 598 CD LYS A 42 1.767 -12.862 0.751 1.00 0.00 C ATOM 599 CE LYS A 42 1.144 -12.871 2.138 1.00 0.00 C ATOM 600 NZ LYS A 42 2.177 -12.891 3.211 1.00 0.00 N ATOM 0 H LYS A 42 1.258 -10.138 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 42 3.712 -9.488 -0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.336 -12.008 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.984 -12.065 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.369 -11.503 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.883 -10.720 0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.986 -12.980 -0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.440 -13.713 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.513 -11.990 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.498 -13.743 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.713 -12.965 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.806 -13.708 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.735 -12.014 3.172 1.00 0.00 H new ATOM 614 N VAL A 43 3.821 -10.671 -3.729 1.00 0.00 N ATOM 615 CA VAL A 43 4.656 -10.749 -4.922 1.00 0.00 C ATOM 616 C VAL A 43 5.032 -9.358 -5.421 1.00 0.00 C ATOM 617 O VAL A 43 6.136 -9.146 -5.924 1.00 0.00 O ATOM 618 CB VAL A 43 3.946 -11.514 -6.055 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.006 -13.013 -5.806 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.506 -11.045 -6.193 1.00 0.00 C ATOM 0 H VAL A 43 2.896 -11.087 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 43 5.561 -11.288 -4.641 1.00 0.00 H new ATOM 0 HB VAL A 43 4.463 -11.305 -6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.499 -13.537 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.047 -13.333 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.515 -13.245 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.019 -11.596 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.974 -11.223 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.491 -9.979 -6.422 1.00 0.00 H new ATOM 630 N ARG A 44 4.107 -8.414 -5.279 1.00 0.00 N ATOM 631 CA ARG A 44 4.342 -7.043 -5.715 1.00 0.00 C ATOM 632 C ARG A 44 5.226 -6.299 -4.719 1.00 0.00 C ATOM 633 O ARG A 44 6.021 -5.440 -5.100 1.00 0.00 O ATOM 634 CB ARG A 44 3.013 -6.305 -5.885 1.00 0.00 C ATOM 635 CG ARG A 44 2.288 -6.645 -7.177 1.00 0.00 C ATOM 636 CD ARG A 44 0.866 -6.105 -7.177 1.00 0.00 C ATOM 637 NE ARG A 44 0.371 -5.869 -8.530 1.00 0.00 N ATOM 638 CZ ARG A 44 0.744 -4.837 -9.280 1.00 0.00 C ATOM 639 NH1 ARG A 44 1.612 -3.952 -8.810 1.00 0.00 N ATOM 640 NH2 ARG A 44 0.249 -4.690 -10.502 1.00 0.00 N ATOM 0 H ARG A 44 3.188 -8.574 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 44 4.857 -7.077 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.365 -6.542 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.197 -5.231 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.836 -6.230 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.268 -7.727 -7.310 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.210 -6.812 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.832 -5.174 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.298 -6.532 -8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.995 -4.062 -7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.897 -3.161 -9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.419 -5.369 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.536 -3.898 -11.077 1.00 0.00 H new ATOM 654 N ALA A 45 5.080 -6.633 -3.441 1.00 0.00 N ATOM 655 CA ALA A 45 5.865 -5.998 -2.391 1.00 0.00 C ATOM 656 C ALA A 45 7.265 -6.598 -2.313 1.00 0.00 C ATOM 657 O ALA A 45 8.208 -5.944 -1.866 1.00 0.00 O ATOM 658 CB ALA A 45 5.157 -6.129 -1.050 1.00 0.00 C ATOM 0 H ALA A 45 4.425 -7.340 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 45 5.964 -4.940 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.755 -5.650 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.181 -5.647 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.027 -7.184 -0.808 1.00 0.00 H new ATOM 664 N LEU A 46 7.393 -7.846 -2.749 1.00 0.00 N ATOM 665 CA LEU A 46 8.679 -8.536 -2.727 1.00 0.00 C ATOM 666 C LEU A 46 9.555 -8.090 -3.894 1.00 0.00 C ATOM 667 O LEU A 46 10.720 -7.740 -3.709 1.00 0.00 O ATOM 668 CB LEU A 46 8.469 -10.050 -2.782 1.00 0.00 C ATOM 669 CG LEU A 46 8.156 -10.732 -1.450 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.786 -12.191 -1.671 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.340 -10.618 -0.501 1.00 0.00 C ATOM 0 H LEU A 46 6.623 -8.401 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 46 9.186 -8.280 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.654 -10.259 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.367 -10.506 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 46 7.303 -10.227 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.567 -12.660 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.907 -12.250 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.619 -12.710 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.099 -11.109 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.211 -11.097 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.559 -9.566 -0.317 1.00 0.00 H new ATOM 683 N GLU A 47 8.985 -8.104 -5.095 1.00 0.00 N ATOM 684 CA GLU A 47 9.714 -7.700 -6.291 1.00 0.00 C ATOM 685 C GLU A 47 10.214 -6.264 -6.164 1.00 0.00 C ATOM 686 O GLU A 47 11.183 -5.873 -6.816 1.00 0.00 O ATOM 687 CB GLU A 47 8.824 -7.834 -7.528 1.00 0.00 C ATOM 688 CG GLU A 47 8.559 -9.274 -7.935 1.00 0.00 C ATOM 689 CD GLU A 47 8.304 -9.423 -9.422 1.00 0.00 C ATOM 690 OE1 GLU A 47 7.527 -8.615 -9.973 1.00 0.00 O ATOM 691 OE2 GLU A 47 8.879 -10.346 -10.034 1.00 0.00 O ATOM 0 H GLU A 47 8.021 -8.391 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 47 10.576 -8.359 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.872 -7.339 -7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.293 -7.310 -8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.413 -9.890 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.698 -9.651 -7.383 1.00 0.00 H new ATOM 698 N CYS A 48 9.547 -5.484 -5.321 1.00 0.00 N ATOM 699 CA CYS A 48 9.922 -4.090 -5.109 1.00 0.00 C ATOM 700 C CYS A 48 10.078 -3.790 -3.622 1.00 0.00 C ATOM 701 O CYS A 48 9.700 -2.716 -3.151 1.00 0.00 O ATOM 702 CB CYS A 48 8.875 -3.160 -5.722 1.00 0.00 C ATOM 703 SG CYS A 48 9.154 -2.783 -7.468 1.00 0.00 S ATOM 0 H CYS A 48 8.744 -5.793 -4.773 1.00 0.00 H new ATOM 0 HA CYS A 48 10.881 -3.918 -5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.891 -3.616 -5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.858 -2.227 -5.158 1.00 0.00 H new ATOM 0 HG CYS A 48 8.216 -1.992 -7.896 1.00 0.00 H new ATOM 709 N HIS A 49 10.637 -4.746 -2.886 1.00 0.00 N ATOM 710 CA HIS A 49 10.842 -4.584 -1.451 1.00 0.00 C ATOM 711 C HIS A 49 12.097 -3.762 -1.171 1.00 0.00 C ATOM 712 O HIS A 49 13.121 -3.901 -1.840 1.00 0.00 O ATOM 713 CB HIS A 49 10.952 -5.950 -0.772 1.00 0.00 C ATOM 714 CG HIS A 49 10.459 -5.957 0.642 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.301 -6.022 1.732 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.202 -5.906 1.142 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.584 -6.012 2.841 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.307 -5.942 2.511 1.00 0.00 N ATOM 0 H HIS A 49 10.956 -5.640 -3.259 1.00 0.00 H new ATOM 0 HA HIS A 49 9.982 -4.053 -1.044 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.385 -6.680 -1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.994 -6.271 -0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.287 -5.848 0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.975 -6.054 3.847 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.526 -5.918 3.166 1.00 0.00 H new ATOM 726 N PRO A 50 12.017 -2.884 -0.159 1.00 0.00 N ATOM 727 CA PRO A 50 13.137 -2.023 0.232 1.00 0.00 C ATOM 728 C PRO A 50 14.276 -2.808 0.873 1.00 0.00 C ATOM 729 O PRO A 50 15.445 -2.598 0.552 1.00 0.00 O ATOM 730 CB PRO A 50 12.509 -1.064 1.247 1.00 0.00 C ATOM 731 CG PRO A 50 11.346 -1.811 1.803 1.00 0.00 C ATOM 732 CD PRO A 50 10.827 -2.666 0.681 1.00 0.00 C ATOM 0 HA PRO A 50 13.586 -1.523 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.218 -0.796 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.193 -0.136 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.646 -2.423 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.577 -1.126 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.417 -3.606 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.031 -2.166 0.129 1.00 0.00 H new ATOM 740 N ASP A 51 13.926 -3.712 1.781 1.00 0.00 N ATOM 741 CA ASP A 51 14.920 -4.530 2.467 1.00 0.00 C ATOM 742 C ASP A 51 15.879 -5.171 1.469 1.00 0.00 C ATOM 743 O ASP A 51 17.065 -4.843 1.433 1.00 0.00 O ATOM 744 CB ASP A 51 14.232 -5.613 3.300 1.00 0.00 C ATOM 745 CG ASP A 51 15.183 -6.723 3.705 1.00 0.00 C ATOM 746 OD1 ASP A 51 15.974 -6.512 4.649 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.136 -7.802 3.079 1.00 0.00 O ATOM 0 H ASP A 51 12.962 -3.897 2.059 1.00 0.00 H new ATOM 0 HA ASP A 51 15.494 -3.882 3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.803 -5.162 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.406 -6.037 2.729 1.00 0.00 H new ATOM 752 N LYS A 52 15.358 -6.088 0.661 1.00 0.00 N ATOM 753 CA LYS A 52 16.167 -6.776 -0.339 1.00 0.00 C ATOM 754 C LYS A 52 16.965 -5.779 -1.173 1.00 0.00 C ATOM 755 O LYS A 52 18.127 -6.020 -1.503 1.00 0.00 O ATOM 756 CB LYS A 52 15.276 -7.622 -1.251 1.00 0.00 C ATOM 757 CG LYS A 52 14.866 -8.950 -0.639 1.00 0.00 C ATOM 758 CD LYS A 52 16.044 -9.906 -0.539 1.00 0.00 C ATOM 759 CE LYS A 52 16.178 -10.758 -1.792 1.00 0.00 C ATOM 760 NZ LYS A 52 17.049 -10.111 -2.812 1.00 0.00 N ATOM 0 H LYS A 52 14.379 -6.372 0.679 1.00 0.00 H new ATOM 0 HA LYS A 52 16.867 -7.429 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.380 -7.053 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.803 -7.810 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.448 -8.781 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.079 -9.402 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.962 -9.339 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.917 -10.552 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.591 -11.731 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.190 -10.936 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.472 -10.841 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.480 -9.463 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.804 -9.577 -2.336 1.00 0.00 H new ATOM 774 N HIS A 53 16.335 -4.657 -1.509 1.00 0.00 N ATOM 775 CA HIS A 53 16.988 -3.623 -2.303 1.00 0.00 C ATOM 776 C HIS A 53 17.280 -2.389 -1.454 1.00 0.00 C ATOM 777 O HIS A 53 16.530 -1.413 -1.455 1.00 0.00 O ATOM 778 CB HIS A 53 16.114 -3.239 -3.497 1.00 0.00 C ATOM 779 CG HIS A 53 15.803 -4.388 -4.406 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.643 -4.792 -5.423 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.738 -5.222 -4.446 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.106 -5.824 -6.050 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.950 -6.105 -5.476 1.00 0.00 N ATOM 0 H HIS A 53 15.374 -4.441 -1.244 1.00 0.00 H new ATOM 0 HA HIS A 53 17.934 -4.023 -2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.180 -2.813 -3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.617 -2.460 -4.069 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.881 -5.198 -3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.539 -6.348 -6.889 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.318 -6.856 -5.753 1.00 0.00 H new ATOM 791 N PRO A 54 18.395 -2.433 -0.710 1.00 0.00 N ATOM 792 CA PRO A 54 18.811 -1.327 0.158 1.00 0.00 C ATOM 793 C PRO A 54 19.270 -0.108 -0.635 1.00 0.00 C ATOM 794 O PRO A 54 19.510 -0.195 -1.839 1.00 0.00 O ATOM 795 CB PRO A 54 19.979 -1.919 0.952 1.00 0.00 C ATOM 796 CG PRO A 54 20.518 -3.002 0.082 1.00 0.00 C ATOM 797 CD PRO A 54 19.336 -3.564 -0.659 1.00 0.00 C ATOM 0 HA PRO A 54 17.992 -0.968 0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.738 -1.165 1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 54 19.646 -2.312 1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 54 21.263 -2.612 -0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.008 -3.773 0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.612 -3.902 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.907 -4.421 -0.140 1.00 0.00 H new ATOM 805 N GLU A 55 19.391 1.026 0.048 1.00 0.00 N ATOM 806 CA GLU A 55 19.822 2.262 -0.595 1.00 0.00 C ATOM 807 C GLU A 55 18.918 2.604 -1.776 1.00 0.00 C ATOM 808 O GLU A 55 19.351 3.236 -2.739 1.00 0.00 O ATOM 809 CB GLU A 55 21.272 2.139 -1.067 1.00 0.00 C ATOM 810 CG GLU A 55 22.283 2.140 0.068 1.00 0.00 C ATOM 811 CD GLU A 55 22.545 0.751 0.617 1.00 0.00 C ATOM 812 OE1 GLU A 55 23.142 -0.072 -0.109 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.152 0.487 1.772 1.00 0.00 O ATOM 0 H GLU A 55 19.197 1.114 1.045 1.00 0.00 H new ATOM 0 HA GLU A 55 19.754 3.066 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.382 1.218 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.497 2.964 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.220 2.570 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.921 2.782 0.871 1.00 0.00 H new ATOM 820 N ASN A 56 17.661 2.180 -1.694 1.00 0.00 N ATOM 821 CA ASN A 56 16.696 2.440 -2.757 1.00 0.00 C ATOM 822 C ASN A 56 15.366 2.913 -2.179 1.00 0.00 C ATOM 823 O ASN A 56 14.515 2.117 -1.782 1.00 0.00 O ATOM 824 CB ASN A 56 16.481 1.181 -3.598 1.00 0.00 C ATOM 825 CG ASN A 56 15.568 1.426 -4.784 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.320 0.989 -4.670 1.00 0.00 O flip ATOM 827 ND2 ASN A 56 15.981 2.003 -5.790 1.00 0.00 N flip ATOM 0 H ASN A 56 17.287 1.655 -0.903 1.00 0.00 H new ATOM 0 HA ASN A 56 17.097 3.229 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.445 0.816 -3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.055 0.397 -2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.949 2.322 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.355 2.162 -6.580 1.00 0.00 H new ATOM 834 N PRO A 57 15.180 4.241 -2.131 1.00 0.00 N ATOM 835 CA PRO A 57 13.955 4.850 -1.605 1.00 0.00 C ATOM 836 C PRO A 57 12.754 4.617 -2.515 1.00 0.00 C ATOM 837 O PRO A 57 11.629 4.449 -2.046 1.00 0.00 O ATOM 838 CB PRO A 57 14.298 6.340 -1.544 1.00 0.00 C ATOM 839 CG PRO A 57 15.360 6.527 -2.572 1.00 0.00 C ATOM 840 CD PRO A 57 16.152 5.249 -2.586 1.00 0.00 C ATOM 0 HA PRO A 57 13.669 4.424 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.425 6.956 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.652 6.624 -0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.925 6.727 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.996 7.378 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.530 5.021 -3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 57 17.015 5.304 -1.922 1.00 0.00 H new ATOM 848 N LYS A 58 13.001 4.606 -3.821 1.00 0.00 N ATOM 849 CA LYS A 58 11.941 4.392 -4.799 1.00 0.00 C ATOM 850 C LYS A 58 11.062 3.211 -4.398 1.00 0.00 C ATOM 851 O LYS A 58 9.837 3.279 -4.489 1.00 0.00 O ATOM 852 CB LYS A 58 12.540 4.147 -6.186 1.00 0.00 C ATOM 853 CG LYS A 58 12.739 5.418 -6.994 1.00 0.00 C ATOM 854 CD LYS A 58 11.411 6.045 -7.384 1.00 0.00 C ATOM 855 CE LYS A 58 11.610 7.274 -8.258 1.00 0.00 C ATOM 856 NZ LYS A 58 10.402 7.576 -9.074 1.00 0.00 N ATOM 0 H LYS A 58 13.927 4.743 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 58 11.323 5.289 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.500 3.643 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.888 3.472 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.323 6.132 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.314 5.193 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.804 5.313 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.860 6.322 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.847 8.132 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.463 7.116 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.578 8.420 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.190 6.767 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.593 7.752 -8.445 1.00 0.00 H new ATOM 870 N ALA A 59 11.696 2.131 -3.953 1.00 0.00 N ATOM 871 CA ALA A 59 10.971 0.938 -3.535 1.00 0.00 C ATOM 872 C ALA A 59 10.190 1.192 -2.251 1.00 0.00 C ATOM 873 O ALA A 59 9.034 0.785 -2.124 1.00 0.00 O ATOM 874 CB ALA A 59 11.934 -0.226 -3.348 1.00 0.00 C ATOM 0 H ALA A 59 12.710 2.058 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 59 10.257 0.683 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.379 -1.111 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.444 -0.431 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.669 0.029 -2.585 1.00 0.00 H new ATOM 880 N VAL A 60 10.827 1.866 -1.299 1.00 0.00 N ATOM 881 CA VAL A 60 10.191 2.175 -0.024 1.00 0.00 C ATOM 882 C VAL A 60 8.820 2.808 -0.233 1.00 0.00 C ATOM 883 O VAL A 60 7.861 2.476 0.463 1.00 0.00 O ATOM 884 CB VAL A 60 11.060 3.125 0.821 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.387 3.422 2.153 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.444 2.533 1.035 1.00 0.00 C ATOM 0 H VAL A 60 11.784 2.209 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 60 10.075 1.231 0.509 1.00 0.00 H new ATOM 0 HB VAL A 60 11.172 4.064 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.016 4.095 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.420 3.892 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.243 2.492 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.044 3.218 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.355 1.579 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.926 2.377 0.070 1.00 0.00 H new ATOM 896 N GLU A 61 8.736 3.720 -1.196 1.00 0.00 N ATOM 897 CA GLU A 61 7.481 4.400 -1.496 1.00 0.00 C ATOM 898 C GLU A 61 6.452 3.421 -2.055 1.00 0.00 C ATOM 899 O GLU A 61 5.290 3.422 -1.647 1.00 0.00 O ATOM 900 CB GLU A 61 7.716 5.536 -2.493 1.00 0.00 C ATOM 901 CG GLU A 61 6.434 6.169 -3.008 1.00 0.00 C ATOM 902 CD GLU A 61 5.974 7.332 -2.151 1.00 0.00 C ATOM 903 OE1 GLU A 61 5.296 7.087 -1.131 1.00 0.00 O ATOM 904 OE2 GLU A 61 6.291 8.488 -2.501 1.00 0.00 O ATOM 0 H GLU A 61 9.521 4.005 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 61 7.092 4.817 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.325 6.305 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.288 5.154 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.589 6.514 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.648 5.414 -3.042 1.00 0.00 H new ATOM 911 N THR A 62 6.888 2.586 -2.994 1.00 0.00 N ATOM 912 CA THR A 62 6.006 1.604 -3.611 1.00 0.00 C ATOM 913 C THR A 62 5.505 0.593 -2.586 1.00 0.00 C ATOM 914 O THR A 62 4.453 -0.020 -2.767 1.00 0.00 O ATOM 915 CB THR A 62 6.716 0.851 -4.753 1.00 0.00 C ATOM 916 OG1 THR A 62 7.317 1.785 -5.656 1.00 0.00 O ATOM 917 CG2 THR A 62 5.737 -0.035 -5.508 1.00 0.00 C ATOM 0 H THR A 62 7.846 2.571 -3.343 1.00 0.00 H new ATOM 0 HA THR A 62 5.158 2.154 -4.019 1.00 0.00 H new ATOM 0 HB THR A 62 7.490 0.220 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.142 2.137 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.261 -0.556 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.304 -0.764 -4.823 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.944 0.580 -5.933 1.00 0.00 H new ATOM 925 N PHE A 63 6.264 0.424 -1.509 1.00 0.00 N ATOM 926 CA PHE A 63 5.897 -0.513 -0.453 1.00 0.00 C ATOM 927 C PHE A 63 4.881 0.112 0.499 1.00 0.00 C ATOM 928 O PHE A 63 4.033 -0.582 1.060 1.00 0.00 O ATOM 929 CB PHE A 63 7.139 -0.952 0.324 1.00 0.00 C ATOM 930 CG PHE A 63 6.849 -1.959 1.399 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.522 -3.266 1.072 1.00 0.00 C ATOM 932 CD2 PHE A 63 6.903 -1.601 2.736 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.255 -4.196 2.059 1.00 0.00 C ATOM 934 CE2 PHE A 63 6.637 -2.526 3.727 1.00 0.00 C ATOM 935 CZ PHE A 63 6.311 -3.825 3.388 1.00 0.00 C ATOM 0 H PHE A 63 7.138 0.924 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 63 5.442 -1.387 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.863 -1.375 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.604 -0.075 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.475 -3.561 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.156 -0.587 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.003 -5.211 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.684 -2.234 4.766 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.100 -4.549 4.161 1.00 0.00 H new ATOM 945 N GLN A 64 4.976 1.425 0.676 1.00 0.00 N ATOM 946 CA GLN A 64 4.066 2.143 1.562 1.00 0.00 C ATOM 947 C GLN A 64 2.648 2.146 1.000 1.00 0.00 C ATOM 948 O GLN A 64 1.672 2.113 1.749 1.00 0.00 O ATOM 949 CB GLN A 64 4.549 3.580 1.767 1.00 0.00 C ATOM 950 CG GLN A 64 5.638 3.712 2.820 1.00 0.00 C ATOM 951 CD GLN A 64 6.172 5.126 2.934 1.00 0.00 C ATOM 952 OE1 GLN A 64 7.265 5.404 2.233 1.00 0.00 O flip ATOM 953 NE2 GLN A 64 5.609 5.959 3.643 1.00 0.00 N flip ATOM 0 H GLN A 64 5.673 2.013 0.219 1.00 0.00 H new ATOM 0 HA GLN A 64 4.055 1.630 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.923 3.967 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.701 4.202 2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.244 3.398 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.458 3.037 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.771 5.702 4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.980 6.907 3.709 1.00 0.00 H new ATOM 962 N LYS A 65 2.542 2.187 -0.324 1.00 0.00 N ATOM 963 CA LYS A 65 1.244 2.193 -0.988 1.00 0.00 C ATOM 964 C LYS A 65 0.713 0.773 -1.159 1.00 0.00 C ATOM 965 O LYS A 65 -0.484 0.567 -1.359 1.00 0.00 O ATOM 966 CB LYS A 65 1.349 2.878 -2.352 1.00 0.00 C ATOM 967 CG LYS A 65 1.815 1.952 -3.463 1.00 0.00 C ATOM 968 CD LYS A 65 2.142 2.723 -4.731 1.00 0.00 C ATOM 969 CE LYS A 65 3.042 3.915 -4.442 1.00 0.00 C ATOM 970 NZ LYS A 65 3.651 4.464 -5.685 1.00 0.00 N ATOM 0 H LYS A 65 3.340 2.217 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 65 0.546 2.749 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.376 3.290 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.040 3.717 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.696 1.401 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.039 1.216 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.632 2.061 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.219 3.067 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.464 4.695 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.831 3.615 -3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.257 5.275 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.223 3.728 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.899 4.773 -6.333 1.00 0.00 H new ATOM 984 N LEU A 66 1.611 -0.203 -1.079 1.00 0.00 N ATOM 985 CA LEU A 66 1.233 -1.604 -1.224 1.00 0.00 C ATOM 986 C LEU A 66 0.650 -2.148 0.077 1.00 0.00 C ATOM 987 O LEU A 66 -0.355 -2.858 0.067 1.00 0.00 O ATOM 988 CB LEU A 66 2.445 -2.439 -1.641 1.00 0.00 C ATOM 989 CG LEU A 66 2.795 -2.417 -3.129 1.00 0.00 C ATOM 990 CD1 LEU A 66 4.139 -3.086 -3.371 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.705 -3.098 -3.944 1.00 0.00 C ATOM 0 H LEU A 66 2.606 -0.050 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 66 0.469 -1.671 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.312 -2.091 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.268 -3.473 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 66 2.866 -1.378 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.371 -3.061 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.914 -2.556 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.096 -4.121 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.971 -3.073 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.602 -4.134 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.760 -2.576 -3.795 1.00 0.00 H new ATOM 1003 N GLN A 67 1.287 -1.808 1.192 1.00 0.00 N ATOM 1004 CA GLN A 67 0.830 -2.261 2.501 1.00 0.00 C ATOM 1005 C GLN A 67 -0.474 -1.573 2.890 1.00 0.00 C ATOM 1006 O GLN A 67 -1.374 -2.197 3.454 1.00 0.00 O ATOM 1007 CB GLN A 67 1.899 -1.991 3.560 1.00 0.00 C ATOM 1008 CG GLN A 67 2.215 -0.515 3.742 1.00 0.00 C ATOM 1009 CD GLN A 67 3.187 -0.262 4.878 1.00 0.00 C ATOM 1010 OE1 GLN A 67 4.388 -0.102 4.658 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.673 -0.225 6.101 1.00 0.00 N ATOM 0 H GLN A 67 2.121 -1.221 1.216 1.00 0.00 H new ATOM 0 HA GLN A 67 0.650 -3.334 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.567 -2.403 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.812 -2.519 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.633 -0.120 2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.290 0.030 3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.672 -0.363 6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.279 -0.059 6.904 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.570 -0.283 2.587 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.764 0.491 2.903 1.00 0.00 C ATOM 1022 C LYS A 68 -3.003 -0.134 2.270 1.00 0.00 C ATOM 1023 O LYS A 68 -3.888 -0.626 2.969 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.605 1.934 2.420 1.00 0.00 C ATOM 1025 CG LYS A 68 -0.899 2.836 3.418 1.00 0.00 C ATOM 1026 CD LYS A 68 -1.781 3.136 4.618 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.905 4.096 4.259 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.506 4.723 5.468 1.00 0.00 N ATOM 0 H LYS A 68 0.166 0.249 2.122 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.891 0.488 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.047 1.935 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.591 2.347 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.022 2.359 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.616 3.769 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.203 2.207 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.176 3.565 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.521 4.874 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.677 3.561 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.052 5.563 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.136 4.041 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.751 5.004 6.125 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.057 -0.113 0.942 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.185 -0.682 0.215 1.00 0.00 C ATOM 1044 C ALA A 69 -4.538 -2.068 0.744 1.00 0.00 C ATOM 1045 O ALA A 69 -5.705 -2.371 0.993 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.875 -0.746 -1.274 1.00 0.00 C ATOM 0 H ALA A 69 -2.333 0.292 0.348 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.048 -0.034 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.726 -1.173 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.681 0.259 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.996 -1.370 -1.436 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.522 -2.907 0.914 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.723 -4.261 1.414 1.00 0.00 C ATOM 1054 C LYS A 70 -4.549 -4.250 2.697 1.00 0.00 C ATOM 1055 O LYS A 70 -5.399 -5.116 2.905 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.375 -4.939 1.670 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.422 -5.997 2.758 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.264 -5.385 4.139 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.664 -6.378 5.124 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.176 -6.395 5.057 1.00 0.00 N ATOM 0 H LYS A 70 -2.550 -2.672 0.712 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.267 -4.824 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.027 -5.397 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.643 -4.180 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.369 -6.534 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.631 -6.728 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.627 -4.503 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.236 -5.051 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.979 -6.122 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.049 -7.376 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.192 -7.131 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.125 -6.598 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.195 -5.468 5.349 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.295 -3.264 3.551 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.017 -3.142 4.812 1.00 0.00 C ATOM 1076 C GLU A 71 -6.413 -2.569 4.586 1.00 0.00 C ATOM 1077 O GLU A 71 -7.361 -2.919 5.290 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.240 -2.253 5.785 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.586 -2.500 7.244 1.00 0.00 C ATOM 1080 CD GLU A 71 -4.067 -1.409 8.160 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -4.117 -0.227 7.763 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -3.610 -1.739 9.275 1.00 0.00 O ATOM 0 H GLU A 71 -3.595 -2.539 3.393 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.118 -4.138 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.172 -2.417 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.437 -1.208 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.668 -2.573 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.170 -3.458 7.555 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.532 -1.686 3.600 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.811 -1.065 3.281 1.00 0.00 C ATOM 1091 C ILE A 72 -8.799 -2.091 2.736 1.00 0.00 C ATOM 1092 O ILE A 72 -9.978 -2.085 3.093 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.646 0.068 2.252 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.621 1.091 2.747 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.985 0.739 1.983 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.154 2.003 3.830 1.00 0.00 C ATOM 0 H ILE A 72 -5.758 -1.385 3.008 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.199 -0.647 4.210 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.282 -0.360 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.746 0.563 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.288 1.697 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.852 1.538 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.688 0.004 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.376 1.157 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.375 2.702 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.011 2.558 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.461 1.407 4.689 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.311 -2.973 1.871 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.151 -4.008 1.277 1.00 0.00 C ATOM 1110 C LEU A 73 -9.366 -5.161 2.252 1.00 0.00 C ATOM 1111 O LEU A 73 -10.489 -5.423 2.683 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.517 -4.528 -0.014 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.240 -3.483 -1.095 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.441 -4.094 -2.236 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.543 -2.891 -1.611 1.00 0.00 C ATOM 0 H LEU A 73 -7.338 -2.993 1.565 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.120 -3.566 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.577 -5.018 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.171 -5.292 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.649 -2.680 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.253 -3.335 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.491 -4.469 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.005 -4.916 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.326 -2.149 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.160 -3.683 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.078 -2.416 -0.789 1.00 0.00 H new ATOM 1127 N THR A 74 -8.281 -5.846 2.600 1.00 0.00 N ATOM 1128 CA THR A 74 -8.350 -6.969 3.525 1.00 0.00 C ATOM 1129 C THR A 74 -9.411 -6.737 4.594 1.00 0.00 C ATOM 1130 O THR A 74 -10.215 -7.621 4.887 1.00 0.00 O ATOM 1131 CB THR A 74 -6.992 -7.217 4.210 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.558 -6.029 4.880 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.944 -7.646 3.195 1.00 0.00 C ATOM 0 H THR A 74 -7.343 -5.642 2.254 1.00 0.00 H new ATOM 0 HA THR A 74 -8.618 -7.847 2.937 1.00 0.00 H new ATOM 0 HB THR A 74 -7.118 -8.018 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.365 -5.332 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.994 -7.815 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.265 -8.567 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.821 -6.864 2.446 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.408 -5.541 5.174 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.372 -5.192 6.211 1.00 0.00 C ATOM 1143 C ASN A 75 -11.646 -4.619 5.600 1.00 0.00 C ATOM 1144 O ASN A 75 -11.595 -3.705 4.777 1.00 0.00 O ATOM 1145 CB ASN A 75 -9.761 -4.182 7.185 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.016 -4.853 8.323 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -9.408 -5.922 8.791 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -7.935 -4.226 8.773 1.00 0.00 N ATOM 0 H ASN A 75 -8.749 -4.798 4.943 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.629 -6.102 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.078 -3.527 6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.551 -3.552 7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.393 -4.629 9.537 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.647 -3.341 8.355 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.789 -5.163 6.008 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.077 -4.706 5.499 1.00 0.00 C ATOM 1157 C GLU A 76 -14.359 -3.274 5.943 1.00 0.00 C ATOM 1158 O GLU A 76 -14.470 -2.368 5.117 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.197 -5.631 5.979 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.055 -7.063 5.492 1.00 0.00 C ATOM 1161 CD GLU A 76 -15.577 -7.254 4.081 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.538 -6.552 3.704 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -15.024 -8.106 3.355 1.00 0.00 O ATOM 0 H GLU A 76 -12.849 -5.920 6.689 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.038 -4.730 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.218 -5.627 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.154 -5.234 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.005 -7.353 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.593 -7.728 6.168 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.475 -3.078 7.253 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.746 -1.757 7.806 1.00 0.00 C ATOM 1172 C GLU A 77 -14.033 -0.673 7.002 1.00 0.00 C ATOM 1173 O GLU A 77 -14.576 0.409 6.780 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.307 -1.692 9.271 1.00 0.00 C ATOM 1175 CG GLU A 77 -14.992 -0.592 10.064 1.00 0.00 C ATOM 1176 CD GLU A 77 -14.183 -0.152 11.268 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -13.973 -0.982 12.177 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -13.761 1.023 11.303 1.00 0.00 O ATOM 0 H GLU A 77 -14.385 -3.817 7.950 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.820 -1.581 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.512 -2.652 9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.228 -1.540 9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.165 0.266 9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.969 -0.943 10.396 1.00 0.00 H new ATOM 1185 N SER A 78 -12.812 -0.973 6.569 1.00 0.00 N ATOM 1186 CA SER A 78 -12.022 -0.024 5.794 1.00 0.00 C ATOM 1187 C SER A 78 -12.390 -0.091 4.315 1.00 0.00 C ATOM 1188 O SER A 78 -12.615 0.935 3.673 1.00 0.00 O ATOM 1189 CB SER A 78 -10.529 -0.305 5.973 1.00 0.00 C ATOM 1190 OG SER A 78 -10.285 -1.694 6.115 1.00 0.00 O ATOM 0 H SER A 78 -12.349 -1.865 6.742 1.00 0.00 H new ATOM 0 HA SER A 78 -12.242 0.979 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.978 0.078 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.159 0.224 6.851 1.00 0.00 H new ATOM 0 HG SER A 78 -10.855 -2.192 5.492 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.449 -1.307 3.781 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.788 -1.509 2.378 1.00 0.00 C ATOM 1198 C ARG A 79 -14.069 -0.762 2.015 1.00 0.00 C ATOM 1199 O ARG A 79 -14.181 -0.194 0.929 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.954 -3.001 2.081 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.156 -3.310 0.607 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.498 -4.775 0.386 1.00 0.00 C ATOM 1203 NE ARG A 79 -13.171 -5.216 -0.967 1.00 0.00 N ATOM 1204 CZ ARG A 79 -13.087 -6.493 -1.324 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -13.307 -7.450 -0.432 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.785 -6.815 -2.575 1.00 0.00 N ATOM 0 H ARG A 79 -12.266 -2.167 4.299 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.973 -1.113 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.073 -3.534 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.806 -3.382 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.955 -2.685 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.251 -3.059 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.956 -5.386 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.561 -4.931 0.571 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.998 -4.505 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.541 -7.206 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.242 -8.430 -0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.617 -6.082 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.721 -7.796 -2.848 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.031 -0.768 2.931 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.302 -0.091 2.708 1.00 0.00 C ATOM 1222 C ALA A 80 -16.102 1.412 2.546 1.00 0.00 C ATOM 1223 O ALA A 80 -16.706 2.038 1.675 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.261 -0.377 3.854 1.00 0.00 C ATOM 0 H ALA A 80 -14.954 -1.234 3.835 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.733 -0.476 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.206 0.135 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.437 -1.451 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.828 -0.021 4.789 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.250 1.985 3.390 1.00 0.00 N ATOM 1231 CA ARG A 81 -14.972 3.416 3.341 1.00 0.00 C ATOM 1232 C ARG A 81 -14.472 3.825 1.959 1.00 0.00 C ATOM 1233 O ARG A 81 -14.995 4.758 1.349 1.00 0.00 O ATOM 1234 CB ARG A 81 -13.937 3.792 4.403 1.00 0.00 C ATOM 1235 CG ARG A 81 -14.349 3.414 5.816 1.00 0.00 C ATOM 1236 CD ARG A 81 -15.278 4.454 6.422 1.00 0.00 C ATOM 1237 NE ARG A 81 -16.627 4.371 5.869 1.00 0.00 N ATOM 1238 CZ ARG A 81 -17.522 5.349 5.963 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -17.211 6.478 6.585 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -18.729 5.198 5.434 1.00 0.00 N ATOM 0 H ARG A 81 -14.740 1.481 4.116 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.901 3.949 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.992 3.303 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.759 4.867 4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.846 2.444 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.461 3.310 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.320 4.317 7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.873 5.450 6.243 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.897 3.515 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.283 6.597 6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.899 7.227 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.971 4.331 4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.415 5.949 5.507 1.00 0.00 H new ATOM 1254 N TYR A 82 -13.455 3.123 1.472 1.00 0.00 N ATOM 1255 CA TYR A 82 -12.882 3.415 0.163 1.00 0.00 C ATOM 1256 C TYR A 82 -13.952 3.371 -0.923 1.00 0.00 C ATOM 1257 O TYR A 82 -14.214 4.370 -1.593 1.00 0.00 O ATOM 1258 CB TYR A 82 -11.767 2.419 -0.162 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.372 2.409 -1.622 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.246 3.594 -2.336 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.126 1.214 -2.287 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.885 3.590 -3.669 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.763 1.200 -3.620 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.645 2.390 -4.307 1.00 0.00 C ATOM 1265 OH TYR A 82 -10.285 2.381 -5.635 1.00 0.00 O ATOM 0 H TYR A 82 -13.010 2.348 1.964 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.464 4.421 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.891 2.657 0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.090 1.418 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.434 4.535 -1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.220 0.280 -1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.791 4.521 -4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.573 0.262 -4.121 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.487 1.825 -5.754 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.568 2.205 -1.091 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.611 2.029 -2.094 1.00 0.00 C ATOM 1277 C ASP A 83 -16.569 3.217 -2.096 1.00 0.00 C ATOM 1278 O ASP A 83 -16.876 3.778 -3.148 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.384 0.735 -1.834 1.00 0.00 C ATOM 1280 CG ASP A 83 -17.041 0.192 -3.088 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -18.168 0.628 -3.403 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.429 -0.670 -3.753 1.00 0.00 O ATOM 0 H ASP A 83 -14.362 1.368 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.134 1.968 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.705 -0.015 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.147 0.917 -1.077 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.039 3.594 -0.911 1.00 0.00 N ATOM 1288 CA HIS A 84 -17.962 4.715 -0.776 1.00 0.00 C ATOM 1289 C HIS A 84 -17.408 5.960 -1.461 1.00 0.00 C ATOM 1290 O HIS A 84 -18.154 6.734 -2.061 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.231 5.007 0.700 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.369 5.953 0.926 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.656 5.534 1.188 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.408 7.306 0.930 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.438 6.587 1.341 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.705 7.676 1.190 1.00 0.00 N ATOM 0 H HIS A 84 -16.796 3.140 -0.031 1.00 0.00 H new ATOM 0 HA HIS A 84 -18.899 4.442 -1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.441 4.069 1.215 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.329 5.422 1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.574 7.971 0.760 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.497 6.562 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.047 8.635 1.256 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.097 6.148 -1.366 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.444 7.300 -1.976 1.00 0.00 C ATOM 1306 C TRP A 85 -15.307 7.114 -3.483 1.00 0.00 C ATOM 1307 O TRP A 85 -15.598 8.025 -4.259 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.066 7.522 -1.350 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.224 8.509 -2.101 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.136 9.853 -1.872 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.354 8.230 -3.203 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.263 10.426 -2.765 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.769 9.452 -3.592 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.009 7.068 -3.898 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.862 9.541 -4.644 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.109 7.158 -4.942 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.543 8.387 -5.307 1.00 0.00 C ATOM 0 H TRP A 85 -15.465 5.517 -0.872 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.065 8.177 -1.792 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.192 7.869 -0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.539 6.569 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.674 10.387 -1.102 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.022 11.416 -2.806 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.439 6.116 -3.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.425 10.487 -4.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.837 6.266 -5.486 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.842 8.424 -6.127 1.00 0.00 H new ATOM 1328 N ARG A 86 -14.864 5.930 -3.891 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.688 5.625 -5.306 1.00 0.00 C ATOM 1330 C ARG A 86 -15.941 5.985 -6.099 1.00 0.00 C ATOM 1331 O ARG A 86 -15.873 6.713 -7.090 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.360 4.143 -5.494 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.528 3.855 -6.733 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.299 2.363 -6.916 1.00 0.00 C ATOM 1335 NE ARG A 86 -12.702 2.056 -8.213 1.00 0.00 N ATOM 1336 CZ ARG A 86 -12.572 0.823 -8.689 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -12.997 -0.213 -7.980 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -12.018 0.625 -9.878 1.00 0.00 N ATOM 0 H ARG A 86 -14.620 5.165 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.857 6.223 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.824 3.784 -4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.291 3.578 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.031 4.257 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.568 4.365 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.649 1.996 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.248 1.836 -6.820 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.366 2.831 -8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.425 -0.064 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.896 -1.159 -8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.692 1.420 -10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.918 -0.322 -10.243 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.083 5.469 -5.657 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.351 5.735 -6.326 1.00 0.00 C ATOM 1354 C ARG A 87 -18.673 7.226 -6.309 1.00 0.00 C ATOM 1355 O ARG A 87 -19.487 7.705 -7.099 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.480 4.950 -5.655 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.853 5.475 -4.279 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.281 5.106 -3.909 1.00 0.00 C ATOM 1359 NE ARG A 87 -21.860 6.047 -2.954 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.877 5.749 -2.153 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.424 4.542 -2.193 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -23.349 6.659 -1.311 1.00 0.00 N ATOM 0 H ARG A 87 -17.156 4.864 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.260 5.413 -7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.361 4.978 -6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.182 3.905 -5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.167 5.069 -3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.740 6.559 -4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.894 5.081 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.298 4.102 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 87 -21.462 6.984 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.064 3.840 -2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.205 4.315 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -22.931 7.589 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.130 6.429 -0.697 1.00 0.00 H new ATOM 1376 N SER A 88 -18.030 7.955 -5.402 1.00 0.00 N ATOM 1377 CA SER A 88 -18.252 9.391 -5.278 1.00 0.00 C ATOM 1378 C SER A 88 -17.342 10.164 -6.228 1.00 0.00 C ATOM 1379 O SER A 88 -17.539 11.357 -6.457 1.00 0.00 O ATOM 1380 CB SER A 88 -18.007 9.844 -3.838 1.00 0.00 C ATOM 1381 OG SER A 88 -18.546 11.134 -3.610 1.00 0.00 O ATOM 0 H SER A 88 -17.351 7.575 -4.742 1.00 0.00 H new ATOM 0 HA SER A 88 -19.288 9.598 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.458 9.131 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.936 9.853 -3.633 1.00 0.00 H new ATOM 0 HG SER A 88 -18.445 11.678 -4.419 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.348 9.475 -6.778 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.407 10.097 -7.702 1.00 0.00 C ATOM 1389 C GLN A 89 -15.079 11.522 -7.268 1.00 0.00 C ATOM 1390 O GLN A 89 -15.131 12.453 -8.071 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.982 10.103 -9.120 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.106 8.716 -9.732 1.00 0.00 C ATOM 1393 CD GLN A 89 -16.089 8.744 -11.247 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -16.969 9.329 -11.879 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -15.084 8.109 -11.840 1.00 0.00 N ATOM 0 H GLN A 89 -16.173 8.486 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.487 9.513 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.965 10.573 -9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.347 10.717 -9.758 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.288 8.091 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -17.033 8.254 -9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.376 7.637 -11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.020 8.093 -12.858 1.00 0.00 H new ATOM 1404 N MET A 90 -14.741 11.683 -5.993 1.00 0.00 N ATOM 1405 CA MET A 90 -14.403 12.995 -5.453 1.00 0.00 C ATOM 1406 C MET A 90 -13.063 13.479 -5.998 1.00 0.00 C ATOM 1407 O MET A 90 -12.221 12.677 -6.403 1.00 0.00 O ATOM 1408 CB MET A 90 -14.357 12.945 -3.925 1.00 0.00 C ATOM 1409 CG MET A 90 -15.717 12.724 -3.283 1.00 0.00 C ATOM 1410 SD MET A 90 -15.720 13.088 -1.517 1.00 0.00 S ATOM 1411 CE MET A 90 -17.133 12.130 -0.975 1.00 0.00 C ATOM 0 H MET A 90 -14.694 10.922 -5.315 1.00 0.00 H new ATOM 0 HA MET A 90 -15.176 13.698 -5.763 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.684 12.145 -3.616 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.935 13.878 -3.552 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.456 13.352 -3.781 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.023 11.689 -3.437 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.265 12.253 0.100 1.00 0.00 H new ATOM 0 HE2 MET A 90 -18.028 12.476 -1.493 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.967 11.077 -1.202 1.00 0.00 H new ATOM 1421 N SER A 91 -12.872 14.794 -6.006 1.00 0.00 N ATOM 1422 CA SER A 91 -11.636 15.385 -6.505 1.00 0.00 C ATOM 1423 C SER A 91 -10.431 14.854 -5.735 1.00 0.00 C ATOM 1424 O SER A 91 -9.459 14.385 -6.327 1.00 0.00 O ATOM 1425 CB SER A 91 -11.694 16.909 -6.396 1.00 0.00 C ATOM 1426 OG SER A 91 -12.808 17.429 -7.100 1.00 0.00 O ATOM 0 H SER A 91 -13.558 15.471 -5.672 1.00 0.00 H new ATOM 0 HA SER A 91 -11.527 15.107 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.755 17.200 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.775 17.340 -6.793 1.00 0.00 H new ATOM 0 HG SER A 91 -12.823 18.405 -7.013 1.00 0.00 H new ATOM 1432 N MET A 92 -10.502 14.931 -4.410 1.00 0.00 N ATOM 1433 CA MET A 92 -9.418 14.458 -3.558 1.00 0.00 C ATOM 1434 C MET A 92 -9.466 12.940 -3.410 1.00 0.00 C ATOM 1435 O MET A 92 -10.513 12.310 -3.562 1.00 0.00 O ATOM 1436 CB MET A 92 -9.497 15.119 -2.180 1.00 0.00 C ATOM 1437 CG MET A 92 -10.322 14.331 -1.175 1.00 0.00 C ATOM 1438 SD MET A 92 -12.075 14.293 -1.592 1.00 0.00 S ATOM 1439 CE MET A 92 -12.801 14.858 -0.055 1.00 0.00 C ATOM 0 H MET A 92 -11.299 15.317 -3.903 1.00 0.00 H new ATOM 0 HA MET A 92 -8.474 14.730 -4.030 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.488 15.247 -1.789 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.925 16.115 -2.288 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.943 13.310 -1.121 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.198 14.770 -0.185 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.875 14.990 -0.187 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.620 14.120 0.726 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.351 15.808 0.232 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.307 12.337 -3.106 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.192 10.887 -2.930 1.00 0.00 C ATOM 1451 C PRO A 93 -8.890 10.398 -1.666 1.00 0.00 C ATOM 1452 O PRO A 93 -8.996 11.129 -0.681 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.681 10.661 -2.828 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.138 11.955 -2.329 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.020 13.026 -2.909 1.00 0.00 C ATOM 0 HA PRO A 93 -8.665 10.339 -3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.448 9.844 -2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.254 10.399 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.149 11.988 -1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.103 12.090 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.118 13.876 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.622 13.410 -3.848 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.365 9.157 -1.700 1.00 0.00 N ATOM 1464 CA PHE A 94 -10.055 8.571 -0.557 1.00 0.00 C ATOM 1465 C PHE A 94 -9.283 8.829 0.734 1.00 0.00 C ATOM 1466 O PHE A 94 -9.869 9.177 1.759 1.00 0.00 O ATOM 1467 CB PHE A 94 -10.238 7.066 -0.762 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.561 6.323 0.503 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.679 6.655 1.251 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.746 5.293 0.945 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.977 5.974 2.416 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -10.040 4.608 2.109 1.00 0.00 C ATOM 1473 CZ PHE A 94 -11.158 4.949 2.845 1.00 0.00 C ATOM 0 H PHE A 94 -9.285 8.538 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.035 9.042 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -11.037 6.900 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.326 6.653 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.325 7.455 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.871 5.022 0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.851 6.244 2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.397 3.807 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.391 4.415 3.754 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.967 8.656 0.675 1.00 0.00 N ATOM 1484 CA GLN A 95 -7.116 8.869 1.840 1.00 0.00 C ATOM 1485 C GLN A 95 -7.479 10.169 2.549 1.00 0.00 C ATOM 1486 O GLN A 95 -7.657 10.192 3.767 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.644 8.895 1.423 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.681 8.689 2.581 1.00 0.00 C ATOM 1489 CD GLN A 95 -4.739 7.283 3.145 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -5.046 7.173 4.433 1.00 0.00 O flip ATOM 1491 NE2 GLN A 95 -4.511 6.305 2.432 1.00 0.00 N flip ATOM 0 H GLN A 95 -7.467 8.369 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.276 8.043 2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.473 8.120 0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.427 9.851 0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.666 8.900 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.911 9.403 3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.279 6.435 1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.554 5.365 2.826 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.588 11.247 1.780 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.930 12.550 2.336 1.00 0.00 C ATOM 1502 C GLN A 96 -9.306 12.518 2.993 1.00 0.00 C ATOM 1503 O GLN A 96 -9.479 12.989 4.117 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.898 13.619 1.243 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.895 15.041 1.781 1.00 0.00 C ATOM 1506 CD GLN A 96 -8.803 15.212 2.983 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -10.099 15.007 2.780 1.00 0.00 O flip ATOM 1508 NE2 GLN A 96 -8.345 15.525 4.082 1.00 0.00 N flip ATOM 0 H GLN A 96 -7.444 11.244 0.770 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.190 12.797 3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.011 13.471 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.763 13.488 0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.878 15.319 2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.210 15.724 0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.342 15.673 4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.969 15.636 4.881 1.00 0.00 H new ATOM 1517 N TRP A 97 -10.281 11.961 2.284 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.643 11.869 2.798 1.00 0.00 C ATOM 1519 C TRP A 97 -11.658 11.249 4.191 1.00 0.00 C ATOM 1520 O TRP A 97 -12.340 11.739 5.091 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.513 11.042 1.850 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.961 11.021 2.239 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.808 12.090 2.301 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.729 9.875 2.620 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -16.057 11.677 2.699 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -16.035 10.323 2.900 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -14.441 8.513 2.751 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -17.048 9.457 3.303 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -15.448 7.656 3.151 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.738 8.129 3.423 1.00 0.00 C ATOM 0 H TRP A 97 -10.154 11.566 1.352 1.00 0.00 H new ATOM 0 HA TRP A 97 -12.048 12.879 2.865 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -12.421 11.443 0.841 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -12.137 10.019 1.822 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -14.537 13.110 2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.869 12.282 2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -13.450 8.138 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -18.043 9.820 3.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -15.237 6.602 3.256 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.503 7.433 3.733 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.901 10.170 4.362 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.829 9.484 5.647 1.00 0.00 C ATOM 1543 C GLU A 98 -10.468 10.459 6.765 1.00 0.00 C ATOM 1544 O GLU A 98 -10.953 10.337 7.889 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.799 8.353 5.590 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.669 7.717 4.216 1.00 0.00 C ATOM 1547 CD GLU A 98 -9.129 6.302 4.277 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -9.716 5.473 5.003 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -8.118 6.024 3.598 1.00 0.00 O ATOM 0 H GLU A 98 -10.329 9.752 3.628 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.811 9.061 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.827 8.742 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.075 7.585 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.645 7.709 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.010 8.327 3.598 1.00 0.00 H new