USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 418 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 31 CYS SG : rot 148:sc= -0.806 USER MOD Set 1.2: A 34 CYS SG : rot -49:sc= 0.876 USER MOD Set 1.3: A 56 CYS SG : rot 116:sc= -0.0458 USER MOD Set 1.4: A 57 MET CE :methyl 167:sc= -1.35 (180deg=-1.07) USER MOD Set 1.5: A 67 CYS SG : rot -64:sc= 0.407 USER MOD Single : A 26 SER OG : rot -27:sc= -0.134 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.923 F(o=-2.5!,f=-0.92) USER MOD Single : A 59 ASN : amide:sc= -3.95 K(o=-3.9,f=-5.9!) USER MOD Single : A 60 SER OG : rot 165:sc= -2.76! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0.479 (180deg=0.445) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -2.65 X(o=-2.7,f=-2.4!) USER MOD Single : A 73 MET CE :methyl -142:sc= -2.63 (180deg=-4.91!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.02) USER MOD Single : A 79 ASN : amide:sc= -1.01 X(o=-1,f=-0.69) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.41 F(o=-3.2!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 366 N SER A 26 4.866 -12.168 -0.604 1.00 54.41 N ATOM 367 CA SER A 26 3.658 -11.676 -1.258 1.00 11.14 C ATOM 368 C SER A 26 3.613 -10.151 -1.239 1.00 24.10 C ATOM 369 O SER A 26 4.127 -9.515 -0.320 1.00 64.21 O ATOM 370 CB SER A 26 2.414 -12.242 -0.572 1.00 55.21 C ATOM 371 OG SER A 26 2.407 -11.929 0.810 1.00 14.21 O ATOM 0 HA SER A 26 3.675 -12.009 -2.296 1.00 11.14 H new ATOM 0 HB2 SER A 26 1.519 -11.838 -1.044 1.00 55.21 H new ATOM 0 HB3 SER A 26 2.383 -13.324 -0.703 1.00 55.21 H new ATOM 0 HG SER A 26 3.328 -11.812 1.124 1.00 14.21 H new ATOM 377 N ALA A 27 2.994 -9.571 -2.262 1.00 22.12 N ATOM 378 CA ALA A 27 2.880 -8.122 -2.364 1.00 12.24 C ATOM 379 C ALA A 27 1.423 -7.695 -2.508 1.00 1.34 C ATOM 380 O ALA A 27 0.562 -8.501 -2.859 1.00 71.24 O ATOM 381 CB ALA A 27 3.700 -7.608 -3.537 1.00 64.32 C ATOM 0 H ALA A 27 2.564 -10.083 -3.032 1.00 22.12 H new ATOM 0 HA ALA A 27 3.271 -7.687 -1.444 1.00 12.24 H new ATOM 0 HB1 ALA A 27 3.605 -6.524 -3.600 1.00 64.32 H new ATOM 0 HB2 ALA A 27 4.747 -7.872 -3.392 1.00 64.32 H new ATOM 0 HB3 ALA A 27 3.336 -8.059 -4.460 1.00 64.32 H new ATOM 387 N TRP A 28 1.154 -6.423 -2.233 1.00 71.12 N ATOM 388 CA TRP A 28 -0.200 -5.891 -2.332 1.00 33.05 C ATOM 389 C TRP A 28 -0.375 -5.084 -3.614 1.00 74.14 C ATOM 390 O TRP A 28 0.466 -4.253 -3.957 1.00 73.33 O ATOM 391 CB TRP A 28 -0.515 -5.016 -1.118 1.00 1.45 C ATOM 392 CG TRP A 28 -0.996 -5.796 0.068 1.00 42.11 C ATOM 393 CD1 TRP A 28 -0.323 -6.007 1.238 1.00 30.10 C ATOM 394 CD2 TRP A 28 -2.253 -6.469 0.198 1.00 73.30 C ATOM 395 NE1 TRP A 28 -1.086 -6.772 2.087 1.00 72.34 N ATOM 396 CE2 TRP A 28 -2.274 -7.068 1.474 1.00 45.43 C ATOM 397 CE3 TRP A 28 -3.362 -6.623 -0.637 1.00 70.54 C ATOM 398 CZ2 TRP A 28 -3.362 -7.808 1.929 1.00 31.13 C ATOM 399 CZ3 TRP A 28 -4.441 -7.359 -0.184 1.00 33.43 C ATOM 400 CH2 TRP A 28 -4.434 -7.943 1.090 1.00 34.14 C ATOM 0 H TRP A 28 1.855 -5.742 -1.940 1.00 71.12 H new ATOM 0 HA TRP A 28 -0.894 -6.731 -2.356 1.00 33.05 H new ATOM 0 HB2 TRP A 28 0.379 -4.459 -0.839 1.00 1.45 H new ATOM 0 HB3 TRP A 28 -1.274 -4.284 -1.394 1.00 1.45 H new ATOM 0 HD1 TRP A 28 0.663 -5.628 1.463 1.00 30.10 H new ATOM 0 HE1 TRP A 28 -0.812 -7.071 3.023 1.00 72.34 H new ATOM 0 HE3 TRP A 28 -3.376 -6.175 -1.620 1.00 70.54 H new ATOM 0 HZ2 TRP A 28 -3.360 -8.260 2.910 1.00 31.13 H new ATOM 0 HZ3 TRP A 28 -5.303 -7.486 -0.822 1.00 33.43 H new ATOM 0 HH2 TRP A 28 -5.293 -8.511 1.416 1.00 34.14 H new ATOM 411 N VAL A 29 -1.474 -5.334 -4.320 1.00 73.11 N ATOM 412 CA VAL A 29 -1.760 -4.630 -5.564 1.00 54.03 C ATOM 413 C VAL A 29 -3.183 -4.084 -5.571 1.00 13.43 C ATOM 414 O VAL A 29 -4.123 -4.762 -5.155 1.00 62.11 O ATOM 415 CB VAL A 29 -1.570 -5.549 -6.785 1.00 31.12 C ATOM 416 CG1 VAL A 29 -0.090 -5.751 -7.076 1.00 54.43 C ATOM 417 CG2 VAL A 29 -2.264 -6.884 -6.562 1.00 35.03 C ATOM 0 H VAL A 29 -2.180 -6.019 -4.051 1.00 73.11 H new ATOM 0 HA VAL A 29 -1.055 -3.801 -5.628 1.00 54.03 H new ATOM 0 HB VAL A 29 -2.025 -5.070 -7.652 1.00 31.12 H new ATOM 0 HG11 VAL A 29 0.025 -6.403 -7.942 1.00 54.43 H new ATOM 0 HG12 VAL A 29 0.375 -4.787 -7.283 1.00 54.43 H new ATOM 0 HG13 VAL A 29 0.392 -6.208 -6.211 1.00 54.43 H new ATOM 0 HG21 VAL A 29 -2.119 -7.520 -7.435 1.00 35.03 H new ATOM 0 HG22 VAL A 29 -1.841 -7.372 -5.684 1.00 35.03 H new ATOM 0 HG23 VAL A 29 -3.330 -6.718 -6.407 1.00 35.03 H new ATOM 427 N ARG A 30 -3.336 -2.852 -6.045 1.00 43.43 N ATOM 428 CA ARG A 30 -4.644 -2.213 -6.107 1.00 14.42 C ATOM 429 C ARG A 30 -5.143 -2.128 -7.546 1.00 25.11 C ATOM 430 O ARG A 30 -4.362 -1.906 -8.472 1.00 22.04 O ATOM 431 CB ARG A 30 -4.581 -0.812 -5.495 1.00 21.21 C ATOM 432 CG ARG A 30 -5.941 -0.149 -5.346 1.00 21.42 C ATOM 433 CD ARG A 30 -5.912 1.294 -5.822 1.00 0.31 C ATOM 434 NE ARG A 30 -5.654 1.392 -7.257 1.00 11.55 N ATOM 435 CZ ARG A 30 -5.195 2.490 -7.848 1.00 71.11 C ATOM 436 NH1 ARG A 30 -4.946 3.578 -7.132 1.00 70.12 N ATOM 437 NH2 ARG A 30 -4.986 2.501 -9.158 1.00 20.52 N ATOM 0 H ARG A 30 -2.569 -2.276 -6.392 1.00 43.43 H new ATOM 0 HA ARG A 30 -5.343 -2.822 -5.534 1.00 14.42 H new ATOM 0 HB2 ARG A 30 -4.107 -0.874 -4.515 1.00 21.21 H new ATOM 0 HB3 ARG A 30 -3.945 -0.182 -6.117 1.00 21.21 H new ATOM 0 HG2 ARG A 30 -6.683 -0.707 -5.917 1.00 21.42 H new ATOM 0 HG3 ARG A 30 -6.251 -0.183 -4.302 1.00 21.42 H new ATOM 0 HD2 ARG A 30 -6.865 1.771 -5.592 1.00 0.31 H new ATOM 0 HD3 ARG A 30 -5.142 1.840 -5.277 1.00 0.31 H new ATOM 0 HE ARG A 30 -5.836 0.573 -7.837 1.00 11.55 H new ATOM 0 HH11 ARG A 30 -5.107 3.574 -6.125 1.00 70.12 H new ATOM 0 HH12 ARG A 30 -4.594 4.419 -7.588 1.00 70.12 H new ATOM 0 HH21 ARG A 30 -5.178 1.666 -9.712 1.00 20.52 H new ATOM 0 HH22 ARG A 30 -4.634 3.344 -9.611 1.00 20.52 H new ATOM 451 N CYS A 31 -6.447 -2.306 -7.728 1.00 23.32 N ATOM 452 CA CYS A 31 -7.049 -2.251 -9.055 1.00 33.50 C ATOM 453 C CYS A 31 -7.180 -0.808 -9.532 1.00 43.33 C ATOM 454 O CYS A 31 -7.558 0.079 -8.767 1.00 41.02 O ATOM 455 CB CYS A 31 -8.424 -2.923 -9.041 1.00 21.15 C ATOM 456 SG CYS A 31 -9.232 -2.997 -10.672 1.00 23.54 S ATOM 0 H CYS A 31 -7.108 -2.490 -6.973 1.00 23.32 H new ATOM 0 HA CYS A 31 -6.398 -2.786 -9.746 1.00 33.50 H new ATOM 0 HB2 CYS A 31 -8.317 -3.936 -8.654 1.00 21.15 H new ATOM 0 HB3 CYS A 31 -9.073 -2.385 -8.350 1.00 21.15 H new ATOM 0 HG CYS A 31 -9.958 -4.073 -10.748 1.00 23.54 H new ATOM 461 N ASP A 32 -6.865 -0.582 -10.803 1.00 24.24 N ATOM 462 CA ASP A 32 -6.948 0.753 -11.385 1.00 61.02 C ATOM 463 C ASP A 32 -8.268 0.941 -12.126 1.00 11.13 C ATOM 464 O ASP A 32 -8.330 1.642 -13.136 1.00 73.13 O ATOM 465 CB ASP A 32 -5.776 0.990 -12.339 1.00 15.23 C ATOM 466 CG ASP A 32 -5.249 2.410 -12.266 1.00 20.24 C ATOM 467 OD1 ASP A 32 -6.052 3.327 -11.992 1.00 64.43 O ATOM 468 OD2 ASP A 32 -4.034 2.604 -12.484 1.00 13.34 O ATOM 0 H ASP A 32 -6.550 -1.305 -11.450 1.00 24.24 H new ATOM 0 HA ASP A 32 -6.900 1.480 -10.574 1.00 61.02 H new ATOM 0 HB2 ASP A 32 -4.971 0.294 -12.102 1.00 15.23 H new ATOM 0 HB3 ASP A 32 -6.093 0.775 -13.360 1.00 15.23 H new ATOM 473 N ASP A 33 -9.322 0.311 -11.617 1.00 24.45 N ATOM 474 CA ASP A 33 -10.641 0.409 -12.229 1.00 60.24 C ATOM 475 C ASP A 33 -11.725 0.548 -11.165 1.00 22.11 C ATOM 476 O ASP A 33 -12.639 1.362 -11.297 1.00 12.11 O ATOM 477 CB ASP A 33 -10.916 -0.819 -13.098 1.00 43.11 C ATOM 478 CG ASP A 33 -12.187 -0.679 -13.912 1.00 62.15 C ATOM 479 OD1 ASP A 33 -12.323 0.333 -14.631 1.00 64.40 O ATOM 480 OD2 ASP A 33 -13.046 -1.582 -13.831 1.00 53.15 O ATOM 0 H ASP A 33 -9.288 -0.273 -10.782 1.00 24.45 H new ATOM 0 HA ASP A 33 -10.658 1.300 -12.857 1.00 60.24 H new ATOM 0 HB2 ASP A 33 -10.073 -0.981 -13.770 1.00 43.11 H new ATOM 0 HB3 ASP A 33 -10.990 -1.701 -12.462 1.00 43.11 H new ATOM 485 N CYS A 34 -11.618 -0.253 -10.111 1.00 34.20 N ATOM 486 CA CYS A 34 -12.589 -0.222 -9.024 1.00 2.21 C ATOM 487 C CYS A 34 -11.910 0.103 -7.697 1.00 61.21 C ATOM 488 O CYS A 34 -12.575 0.301 -6.678 1.00 64.14 O ATOM 489 CB CYS A 34 -13.315 -1.564 -8.922 1.00 72.14 C ATOM 490 SG CYS A 34 -12.227 -2.970 -8.526 1.00 51.04 S ATOM 0 H CYS A 34 -10.868 -0.933 -9.986 1.00 34.20 H new ATOM 0 HA CYS A 34 -13.315 0.561 -9.242 1.00 2.21 H new ATOM 0 HB2 CYS A 34 -14.088 -1.490 -8.157 1.00 72.14 H new ATOM 0 HB3 CYS A 34 -13.820 -1.764 -9.867 1.00 72.14 H new ATOM 0 HG CYS A 34 -11.196 -2.957 -9.318 1.00 51.04 H new ATOM 495 N PHE A 35 -10.583 0.158 -7.715 1.00 3.11 N ATOM 496 CA PHE A 35 -9.812 0.458 -6.514 1.00 41.32 C ATOM 497 C PHE A 35 -10.044 -0.601 -5.440 1.00 14.50 C ATOM 498 O PHE A 35 -10.779 -0.376 -4.479 1.00 55.51 O ATOM 499 CB PHE A 35 -10.188 1.840 -5.974 1.00 55.34 C ATOM 500 CG PHE A 35 -10.080 2.933 -6.997 1.00 5.22 C ATOM 501 CD1 PHE A 35 -11.125 3.191 -7.870 1.00 52.23 C ATOM 502 CD2 PHE A 35 -8.932 3.704 -7.089 1.00 74.50 C ATOM 503 CE1 PHE A 35 -11.028 4.196 -8.813 1.00 15.22 C ATOM 504 CE2 PHE A 35 -8.830 4.712 -8.028 1.00 43.43 C ATOM 505 CZ PHE A 35 -9.879 4.957 -8.894 1.00 34.23 C ATOM 0 H PHE A 35 -10.018 -0.001 -8.549 1.00 3.11 H new ATOM 0 HA PHE A 35 -8.755 0.454 -6.780 1.00 41.32 H new ATOM 0 HB2 PHE A 35 -11.210 1.808 -5.595 1.00 55.34 H new ATOM 0 HB3 PHE A 35 -9.542 2.079 -5.129 1.00 55.34 H new ATOM 0 HD1 PHE A 35 -12.026 2.599 -7.812 1.00 52.23 H new ATOM 0 HD2 PHE A 35 -8.107 3.514 -6.418 1.00 74.50 H new ATOM 0 HE1 PHE A 35 -11.851 4.386 -9.486 1.00 15.22 H new ATOM 0 HE2 PHE A 35 -7.931 5.308 -8.085 1.00 43.43 H new ATOM 0 HZ PHE A 35 -9.800 5.742 -9.632 1.00 34.23 H new ATOM 515 N LYS A 36 -9.413 -1.756 -5.611 1.00 45.05 N ATOM 516 CA LYS A 36 -9.549 -2.852 -4.658 1.00 22.05 C ATOM 517 C LYS A 36 -8.197 -3.503 -4.381 1.00 63.20 C ATOM 518 O LYS A 36 -7.420 -3.756 -5.303 1.00 32.24 O ATOM 519 CB LYS A 36 -10.531 -3.897 -5.189 1.00 74.44 C ATOM 520 CG LYS A 36 -11.631 -4.253 -4.202 1.00 64.24 C ATOM 521 CD LYS A 36 -12.592 -3.094 -3.997 1.00 61.53 C ATOM 522 CE LYS A 36 -13.605 -3.398 -2.903 1.00 23.43 C ATOM 523 NZ LYS A 36 -14.901 -2.705 -3.141 1.00 12.14 N ATOM 0 H LYS A 36 -8.801 -1.959 -6.402 1.00 45.05 H new ATOM 0 HA LYS A 36 -9.933 -2.443 -3.724 1.00 22.05 H new ATOM 0 HB2 LYS A 36 -10.985 -3.524 -6.107 1.00 74.44 H new ATOM 0 HB3 LYS A 36 -9.981 -4.801 -5.450 1.00 74.44 H new ATOM 0 HG2 LYS A 36 -12.180 -5.122 -4.565 1.00 64.24 H new ATOM 0 HG3 LYS A 36 -11.187 -4.533 -3.246 1.00 64.24 H new ATOM 0 HD2 LYS A 36 -12.031 -2.196 -3.736 1.00 61.53 H new ATOM 0 HD3 LYS A 36 -13.114 -2.883 -4.930 1.00 61.53 H new ATOM 0 HE2 LYS A 36 -13.772 -4.474 -2.851 1.00 23.43 H new ATOM 0 HE3 LYS A 36 -13.201 -3.092 -1.938 1.00 23.43 H new ATOM 0 HZ1 LYS A 36 -15.565 -2.937 -2.375 1.00 12.14 H new ATOM 0 HZ2 LYS A 36 -14.746 -1.677 -3.165 1.00 12.14 H new ATOM 0 HZ3 LYS A 36 -15.299 -3.016 -4.050 1.00 12.14 H new ATOM 537 N TRP A 37 -7.924 -3.771 -3.110 1.00 73.31 N ATOM 538 CA TRP A 37 -6.666 -4.396 -2.714 1.00 13.44 C ATOM 539 C TRP A 37 -6.677 -5.888 -3.022 1.00 53.45 C ATOM 540 O TRP A 37 -7.699 -6.557 -2.861 1.00 24.42 O ATOM 541 CB TRP A 37 -6.411 -4.172 -1.222 1.00 55.34 C ATOM 542 CG TRP A 37 -5.625 -2.930 -0.932 1.00 64.12 C ATOM 543 CD1 TRP A 37 -5.951 -1.940 -0.050 1.00 74.33 C ATOM 544 CD2 TRP A 37 -4.381 -2.545 -1.529 1.00 54.30 C ATOM 545 NE1 TRP A 37 -4.986 -0.963 -0.062 1.00 23.24 N ATOM 546 CE2 TRP A 37 -4.012 -1.310 -0.960 1.00 40.21 C ATOM 547 CE3 TRP A 37 -3.544 -3.123 -2.487 1.00 1.30 C ATOM 548 CZ2 TRP A 37 -2.842 -0.646 -1.320 1.00 11.13 C ATOM 549 CZ3 TRP A 37 -2.384 -2.462 -2.843 1.00 33.21 C ATOM 550 CH2 TRP A 37 -2.041 -1.235 -2.260 1.00 41.54 C ATOM 0 H TRP A 37 -8.556 -3.566 -2.336 1.00 73.31 H new ATOM 0 HA TRP A 37 -5.863 -3.933 -3.287 1.00 13.44 H new ATOM 0 HB2 TRP A 37 -7.367 -4.117 -0.702 1.00 55.34 H new ATOM 0 HB3 TRP A 37 -5.878 -5.033 -0.819 1.00 55.34 H new ATOM 0 HD1 TRP A 37 -6.838 -1.927 0.567 1.00 74.33 H new ATOM 0 HE1 TRP A 37 -4.993 -0.116 0.506 1.00 23.24 H new ATOM 0 HE3 TRP A 37 -3.799 -4.069 -2.941 1.00 1.30 H new ATOM 0 HZ2 TRP A 37 -2.576 0.301 -0.873 1.00 11.13 H new ATOM 0 HZ3 TRP A 37 -1.730 -2.899 -3.584 1.00 33.21 H new ATOM 0 HH2 TRP A 37 -1.126 -0.744 -2.558 1.00 41.54 H new ATOM 561 N ARG A 38 -5.537 -6.404 -3.467 1.00 43.43 N ATOM 562 CA ARG A 38 -5.417 -7.819 -3.800 1.00 2.13 C ATOM 563 C ARG A 38 -4.026 -8.342 -3.454 1.00 44.22 C ATOM 564 O ARG A 38 -3.017 -7.791 -3.896 1.00 71.23 O ATOM 565 CB ARG A 38 -5.702 -8.040 -5.287 1.00 74.44 C ATOM 566 CG ARG A 38 -5.312 -9.424 -5.781 1.00 53.12 C ATOM 567 CD ARG A 38 -6.440 -10.073 -6.567 1.00 72.15 C ATOM 568 NE ARG A 38 -7.129 -11.101 -5.789 1.00 5.01 N ATOM 569 CZ ARG A 38 -6.566 -12.248 -5.426 1.00 72.40 C ATOM 570 NH1 ARG A 38 -5.313 -12.513 -5.769 1.00 0.02 N ATOM 571 NH2 ARG A 38 -7.257 -13.133 -4.719 1.00 25.43 N ATOM 0 H ARG A 38 -4.683 -5.864 -3.606 1.00 43.43 H new ATOM 0 HA ARG A 38 -6.150 -8.370 -3.211 1.00 2.13 H new ATOM 0 HB2 ARG A 38 -6.765 -7.883 -5.472 1.00 74.44 H new ATOM 0 HB3 ARG A 38 -5.163 -7.291 -5.867 1.00 74.44 H new ATOM 0 HG2 ARG A 38 -4.424 -9.350 -6.410 1.00 53.12 H new ATOM 0 HG3 ARG A 38 -5.050 -10.054 -4.931 1.00 53.12 H new ATOM 0 HD2 ARG A 38 -7.155 -9.309 -6.872 1.00 72.15 H new ATOM 0 HD3 ARG A 38 -6.039 -10.516 -7.478 1.00 72.15 H new ATOM 0 HE ARG A 38 -8.095 -10.928 -5.510 1.00 5.01 H new ATOM 0 HH11 ARG A 38 -4.779 -11.835 -6.313 1.00 0.02 H new ATOM 0 HH12 ARG A 38 -4.883 -13.395 -5.489 1.00 0.02 H new ATOM 0 HH21 ARG A 38 -8.221 -12.933 -4.454 1.00 25.43 H new ATOM 0 HH22 ARG A 38 -6.824 -14.014 -4.441 1.00 25.43 H new ATOM 585 N ARG A 39 -3.980 -9.408 -2.662 1.00 60.43 N ATOM 586 CA ARG A 39 -2.713 -10.004 -2.256 1.00 41.14 C ATOM 587 C ARG A 39 -2.221 -11.001 -3.302 1.00 15.35 C ATOM 588 O ARG A 39 -2.847 -12.036 -3.531 1.00 11.40 O ATOM 589 CB ARG A 39 -2.865 -10.703 -0.903 1.00 24.13 C ATOM 590 CG ARG A 39 -1.558 -10.839 -0.139 1.00 12.03 C ATOM 591 CD ARG A 39 -1.427 -12.213 0.500 1.00 4.23 C ATOM 592 NE ARG A 39 -0.451 -12.220 1.587 1.00 42.22 N ATOM 593 CZ ARG A 39 0.121 -13.324 2.053 1.00 63.53 C ATOM 594 NH1 ARG A 39 -0.183 -14.504 1.530 1.00 62.43 N ATOM 595 NH2 ARG A 39 1.000 -13.250 3.044 1.00 64.44 N ATOM 0 H ARG A 39 -4.805 -9.877 -2.289 1.00 60.43 H new ATOM 0 HA ARG A 39 -1.977 -9.205 -2.165 1.00 41.14 H new ATOM 0 HB2 ARG A 39 -3.576 -10.146 -0.293 1.00 24.13 H new ATOM 0 HB3 ARG A 39 -3.289 -11.695 -1.061 1.00 24.13 H new ATOM 0 HG2 ARG A 39 -0.720 -10.670 -0.816 1.00 12.03 H new ATOM 0 HG3 ARG A 39 -1.505 -10.071 0.633 1.00 12.03 H new ATOM 0 HD2 ARG A 39 -2.398 -12.529 0.882 1.00 4.23 H new ATOM 0 HD3 ARG A 39 -1.131 -12.939 -0.258 1.00 4.23 H new ATOM 0 HE ARG A 39 -0.195 -11.328 2.011 1.00 42.22 H new ATOM 0 HH11 ARG A 39 -0.858 -14.565 0.768 1.00 62.43 H new ATOM 0 HH12 ARG A 39 0.258 -15.350 1.890 1.00 62.43 H new ATOM 0 HH21 ARG A 39 1.237 -12.344 3.449 1.00 64.44 H new ATOM 0 HH22 ARG A 39 1.439 -14.099 3.401 1.00 64.44 H new ATOM 609 N ILE A 40 -1.097 -10.680 -3.933 1.00 43.44 N ATOM 610 CA ILE A 40 -0.521 -11.547 -4.955 1.00 23.02 C ATOM 611 C ILE A 40 0.871 -12.019 -4.552 1.00 44.10 C ATOM 612 O ILE A 40 1.585 -11.359 -3.796 1.00 55.14 O ATOM 613 CB ILE A 40 -0.435 -10.832 -6.317 1.00 35.12 C ATOM 614 CG1 ILE A 40 0.688 -9.795 -6.302 1.00 25.11 C ATOM 615 CG2 ILE A 40 -1.766 -10.175 -6.655 1.00 62.43 C ATOM 616 CD1 ILE A 40 0.760 -8.965 -7.565 1.00 25.24 C ATOM 0 H ILE A 40 -0.567 -9.827 -3.755 1.00 43.44 H new ATOM 0 HA ILE A 40 -1.182 -12.409 -5.048 1.00 23.02 H new ATOM 0 HB ILE A 40 -0.211 -11.571 -7.086 1.00 35.12 H new ATOM 0 HG12 ILE A 40 0.548 -9.132 -5.448 1.00 25.11 H new ATOM 0 HG13 ILE A 40 1.641 -10.305 -6.157 1.00 25.11 H new ATOM 0 HG21 ILE A 40 -1.690 -9.674 -7.620 1.00 62.43 H new ATOM 0 HG22 ILE A 40 -2.546 -10.935 -6.702 1.00 62.43 H new ATOM 0 HG23 ILE A 40 -2.017 -9.445 -5.886 1.00 62.43 H new ATOM 0 HD11 ILE A 40 1.579 -8.250 -7.485 1.00 25.24 H new ATOM 0 HD12 ILE A 40 0.931 -9.618 -8.421 1.00 25.24 H new ATOM 0 HD13 ILE A 40 -0.178 -8.427 -7.701 1.00 25.24 H new ATOM 628 N PRO A 41 1.271 -13.189 -5.071 1.00 61.45 N ATOM 629 CA PRO A 41 2.584 -13.776 -4.782 1.00 41.54 C ATOM 630 C PRO A 41 3.724 -12.992 -5.423 1.00 35.12 C ATOM 631 O PRO A 41 3.525 -12.286 -6.411 1.00 60.25 O ATOM 632 CB PRO A 41 2.489 -15.177 -5.394 1.00 54.51 C ATOM 633 CG PRO A 41 1.464 -15.052 -6.469 1.00 33.04 C ATOM 634 CD PRO A 41 0.474 -14.030 -5.980 1.00 23.31 C ATOM 0 HA PRO A 41 2.804 -13.776 -3.714 1.00 41.54 H new ATOM 0 HB2 PRO A 41 3.449 -15.499 -5.798 1.00 54.51 H new ATOM 0 HB3 PRO A 41 2.193 -15.915 -4.649 1.00 54.51 H new ATOM 0 HG2 PRO A 41 1.919 -14.736 -7.408 1.00 33.04 H new ATOM 0 HG3 PRO A 41 0.977 -16.009 -6.657 1.00 33.04 H new ATOM 0 HD2 PRO A 41 0.057 -13.449 -6.803 1.00 23.31 H new ATOM 0 HD3 PRO A 41 -0.364 -14.498 -5.463 1.00 23.31 H new ATOM 642 N ALA A 42 4.917 -13.120 -4.852 1.00 40.00 N ATOM 643 CA ALA A 42 6.089 -12.424 -5.369 1.00 61.05 C ATOM 644 C ALA A 42 6.482 -12.957 -6.743 1.00 64.45 C ATOM 645 O ALA A 42 7.295 -12.353 -7.444 1.00 71.04 O ATOM 646 CB ALA A 42 7.252 -12.555 -4.397 1.00 44.12 C ATOM 0 H ALA A 42 5.097 -13.699 -4.032 1.00 40.00 H new ATOM 0 HA ALA A 42 5.837 -11.369 -5.476 1.00 61.05 H new ATOM 0 HB1 ALA A 42 8.120 -12.031 -4.796 1.00 44.12 H new ATOM 0 HB2 ALA A 42 6.975 -12.120 -3.437 1.00 44.12 H new ATOM 0 HB3 ALA A 42 7.495 -13.609 -4.261 1.00 44.12 H new ATOM 652 N SER A 43 5.902 -14.092 -7.120 1.00 42.41 N ATOM 653 CA SER A 43 6.195 -14.709 -8.409 1.00 24.12 C ATOM 654 C SER A 43 5.488 -13.968 -9.539 1.00 44.31 C ATOM 655 O SER A 43 6.034 -13.810 -10.632 1.00 72.53 O ATOM 656 CB SER A 43 5.770 -16.178 -8.403 1.00 25.42 C ATOM 657 OG SER A 43 6.832 -17.017 -8.827 1.00 50.12 O ATOM 0 H SER A 43 5.227 -14.603 -6.552 1.00 42.41 H new ATOM 0 HA SER A 43 7.270 -14.650 -8.576 1.00 24.12 H new ATOM 0 HB2 SER A 43 5.454 -16.465 -7.400 1.00 25.42 H new ATOM 0 HB3 SER A 43 4.910 -16.314 -9.059 1.00 25.42 H new ATOM 0 HG SER A 43 6.536 -17.951 -8.813 1.00 50.12 H new ATOM 663 N VAL A 44 4.268 -13.515 -9.269 1.00 4.53 N ATOM 664 CA VAL A 44 3.485 -12.789 -10.262 1.00 41.44 C ATOM 665 C VAL A 44 3.700 -11.284 -10.140 1.00 42.35 C ATOM 666 O VAL A 44 3.612 -10.551 -11.125 1.00 54.03 O ATOM 667 CB VAL A 44 1.982 -13.095 -10.124 1.00 4.52 C ATOM 668 CG1 VAL A 44 1.422 -12.464 -8.859 1.00 10.02 C ATOM 669 CG2 VAL A 44 1.224 -12.609 -11.351 1.00 64.32 C ATOM 0 H VAL A 44 3.800 -13.638 -8.371 1.00 4.53 H new ATOM 0 HA VAL A 44 3.828 -13.123 -11.241 1.00 41.44 H new ATOM 0 HB VAL A 44 1.855 -14.175 -10.050 1.00 4.52 H new ATOM 0 HG11 VAL A 44 0.359 -12.691 -8.779 1.00 10.02 H new ATOM 0 HG12 VAL A 44 1.945 -12.864 -7.990 1.00 10.02 H new ATOM 0 HG13 VAL A 44 1.560 -11.384 -8.900 1.00 10.02 H new ATOM 0 HG21 VAL A 44 0.164 -12.834 -11.236 1.00 64.32 H new ATOM 0 HG22 VAL A 44 1.357 -11.533 -11.458 1.00 64.32 H new ATOM 0 HG23 VAL A 44 1.607 -13.112 -12.239 1.00 64.32 H new ATOM 679 N VAL A 45 3.982 -10.830 -8.924 1.00 34.12 N ATOM 680 CA VAL A 45 4.211 -9.412 -8.672 1.00 34.43 C ATOM 681 C VAL A 45 5.308 -8.863 -9.577 1.00 31.44 C ATOM 682 O VAL A 45 5.346 -7.669 -9.869 1.00 43.12 O ATOM 683 CB VAL A 45 4.598 -9.159 -7.202 1.00 11.03 C ATOM 684 CG1 VAL A 45 6.094 -9.353 -7.003 1.00 61.00 C ATOM 685 CG2 VAL A 45 4.171 -7.763 -6.772 1.00 31.41 C ATOM 0 H VAL A 45 4.058 -11.423 -8.098 1.00 34.12 H new ATOM 0 HA VAL A 45 3.275 -8.897 -8.888 1.00 34.43 H new ATOM 0 HB VAL A 45 4.076 -9.883 -6.577 1.00 11.03 H new ATOM 0 HG11 VAL A 45 6.349 -9.170 -5.959 1.00 61.00 H new ATOM 0 HG12 VAL A 45 6.367 -10.374 -7.270 1.00 61.00 H new ATOM 0 HG13 VAL A 45 6.639 -8.654 -7.637 1.00 61.00 H new ATOM 0 HG21 VAL A 45 4.452 -7.601 -5.731 1.00 31.41 H new ATOM 0 HG22 VAL A 45 4.664 -7.022 -7.401 1.00 31.41 H new ATOM 0 HG23 VAL A 45 3.090 -7.665 -6.876 1.00 31.41 H new ATOM 695 N GLY A 46 6.200 -9.745 -10.017 1.00 71.32 N ATOM 696 CA GLY A 46 7.287 -9.330 -10.885 1.00 22.11 C ATOM 697 C GLY A 46 7.011 -9.634 -12.344 1.00 65.40 C ATOM 698 O GLY A 46 7.937 -9.737 -13.150 1.00 71.13 O ATOM 0 H GLY A 46 6.190 -10.739 -9.788 1.00 71.32 H new ATOM 0 HA2 GLY A 46 7.455 -8.260 -10.765 1.00 22.11 H new ATOM 0 HA3 GLY A 46 8.204 -9.833 -10.579 1.00 22.11 H new ATOM 702 N SER A 47 5.735 -9.781 -12.687 1.00 12.25 N ATOM 703 CA SER A 47 5.341 -10.080 -14.058 1.00 71.13 C ATOM 704 C SER A 47 4.160 -9.213 -14.485 1.00 62.30 C ATOM 705 O SER A 47 4.112 -8.724 -15.615 1.00 32.13 O ATOM 706 CB SER A 47 4.977 -11.560 -14.195 1.00 20.51 C ATOM 707 OG SER A 47 5.785 -12.195 -15.170 1.00 32.10 O ATOM 0 H SER A 47 4.956 -9.698 -12.033 1.00 12.25 H new ATOM 0 HA SER A 47 6.186 -9.859 -14.709 1.00 71.13 H new ATOM 0 HB2 SER A 47 5.101 -12.059 -13.234 1.00 20.51 H new ATOM 0 HB3 SER A 47 3.927 -11.656 -14.470 1.00 20.51 H new ATOM 0 HG SER A 47 5.534 -13.140 -15.238 1.00 32.10 H new ATOM 713 N ILE A 48 3.210 -9.029 -13.575 1.00 3.33 N ATOM 714 CA ILE A 48 2.030 -8.220 -13.857 1.00 74.22 C ATOM 715 C ILE A 48 2.384 -6.739 -13.938 1.00 61.43 C ATOM 716 O ILE A 48 1.607 -5.931 -14.447 1.00 64.35 O ATOM 717 CB ILE A 48 0.944 -8.417 -12.783 1.00 51.33 C ATOM 718 CG1 ILE A 48 1.482 -8.031 -11.404 1.00 53.21 C ATOM 719 CG2 ILE A 48 0.455 -9.858 -12.783 1.00 71.01 C ATOM 720 CD1 ILE A 48 1.263 -6.575 -11.056 1.00 73.33 C ATOM 0 H ILE A 48 3.234 -9.429 -12.637 1.00 3.33 H new ATOM 0 HA ILE A 48 1.643 -8.552 -14.821 1.00 74.22 H new ATOM 0 HB ILE A 48 0.101 -7.767 -13.017 1.00 51.33 H new ATOM 0 HG12 ILE A 48 1.002 -8.653 -10.648 1.00 53.21 H new ATOM 0 HG13 ILE A 48 2.549 -8.249 -11.365 1.00 53.21 H new ATOM 0 HG21 ILE A 48 -0.312 -9.982 -12.019 1.00 71.01 H new ATOM 0 HG22 ILE A 48 0.037 -10.100 -13.760 1.00 71.01 H new ATOM 0 HG23 ILE A 48 1.290 -10.526 -12.570 1.00 71.01 H new ATOM 0 HD11 ILE A 48 1.669 -6.373 -10.065 1.00 73.33 H new ATOM 0 HD12 ILE A 48 1.766 -5.946 -11.790 1.00 73.33 H new ATOM 0 HD13 ILE A 48 0.195 -6.356 -11.062 1.00 73.33 H new ATOM 805 N TRP A 54 -2.357 -2.510 -12.762 1.00 34.45 N ATOM 806 CA TRP A 54 -2.899 -3.818 -12.410 1.00 23.23 C ATOM 807 C TRP A 54 -4.396 -3.731 -12.135 1.00 40.12 C ATOM 808 O TRP A 54 -4.892 -2.707 -11.664 1.00 21.32 O ATOM 809 CB TRP A 54 -2.174 -4.380 -11.185 1.00 40.24 C ATOM 810 CG TRP A 54 -2.656 -5.741 -10.784 1.00 33.33 C ATOM 811 CD1 TRP A 54 -2.090 -6.940 -11.113 1.00 73.21 C ATOM 812 CD2 TRP A 54 -3.802 -6.042 -9.980 1.00 71.41 C ATOM 813 NE1 TRP A 54 -2.816 -7.969 -10.562 1.00 21.32 N ATOM 814 CE2 TRP A 54 -3.870 -7.445 -9.861 1.00 64.20 C ATOM 815 CE3 TRP A 54 -4.775 -5.265 -9.348 1.00 13.10 C ATOM 816 CZ2 TRP A 54 -4.874 -8.082 -9.137 1.00 73.24 C ATOM 817 CZ3 TRP A 54 -5.771 -5.899 -8.629 1.00 3.42 C ATOM 818 CH2 TRP A 54 -5.814 -7.296 -8.528 1.00 61.42 C ATOM 0 HA TRP A 54 -2.743 -4.488 -13.255 1.00 23.23 H new ATOM 0 HB2 TRP A 54 -1.105 -4.428 -11.394 1.00 40.24 H new ATOM 0 HB3 TRP A 54 -2.305 -3.694 -10.348 1.00 40.24 H new ATOM 0 HD1 TRP A 54 -1.203 -7.062 -11.717 1.00 73.21 H new ATOM 0 HE1 TRP A 54 -2.604 -8.962 -10.659 1.00 21.32 H new ATOM 0 HE3 TRP A 54 -4.750 -4.188 -9.420 1.00 13.10 H new ATOM 0 HZ2 TRP A 54 -4.910 -9.159 -9.059 1.00 73.24 H new ATOM 0 HZ3 TRP A 54 -6.529 -5.308 -8.137 1.00 3.42 H new ATOM 0 HH2 TRP A 54 -6.605 -7.761 -7.958 1.00 61.42 H new ATOM 829 N ILE A 55 -5.111 -4.811 -12.431 1.00 44.12 N ATOM 830 CA ILE A 55 -6.551 -4.856 -12.215 1.00 32.11 C ATOM 831 C ILE A 55 -6.996 -6.243 -11.762 1.00 22.02 C ATOM 832 O ILE A 55 -6.196 -7.178 -11.710 1.00 43.31 O ATOM 833 CB ILE A 55 -7.325 -4.473 -13.490 1.00 3.32 C ATOM 834 CG1 ILE A 55 -6.714 -5.163 -14.711 1.00 61.25 C ATOM 835 CG2 ILE A 55 -7.326 -2.962 -13.675 1.00 75.04 C ATOM 836 CD1 ILE A 55 -7.360 -4.763 -16.018 1.00 2.40 C ATOM 0 H ILE A 55 -4.716 -5.667 -12.821 1.00 44.12 H new ATOM 0 HA ILE A 55 -6.775 -4.131 -11.433 1.00 32.11 H new ATOM 0 HB ILE A 55 -8.357 -4.808 -13.385 1.00 3.32 H new ATOM 0 HG12 ILE A 55 -5.650 -4.930 -14.755 1.00 61.25 H new ATOM 0 HG13 ILE A 55 -6.799 -6.243 -14.588 1.00 61.25 H new ATOM 0 HG21 ILE A 55 -7.877 -2.707 -14.580 1.00 75.04 H new ATOM 0 HG22 ILE A 55 -7.802 -2.491 -12.815 1.00 75.04 H new ATOM 0 HG23 ILE A 55 -6.300 -2.605 -13.762 1.00 75.04 H new ATOM 0 HD11 ILE A 55 -6.876 -5.291 -16.840 1.00 2.40 H new ATOM 0 HD12 ILE A 55 -8.419 -5.021 -15.994 1.00 2.40 H new ATOM 0 HD13 ILE A 55 -7.252 -3.688 -16.164 1.00 2.40 H new ATOM 848 N CYS A 56 -8.277 -6.370 -11.435 1.00 52.22 N ATOM 849 CA CYS A 56 -8.831 -7.642 -10.987 1.00 11.42 C ATOM 850 C CYS A 56 -8.738 -8.693 -12.089 1.00 63.41 C ATOM 851 O CYS A 56 -8.215 -9.787 -11.875 1.00 4.22 O ATOM 852 CB CYS A 56 -10.289 -7.465 -10.557 1.00 61.15 C ATOM 853 SG CYS A 56 -10.550 -6.130 -9.346 1.00 61.42 S ATOM 0 H CYS A 56 -8.952 -5.606 -11.472 1.00 52.22 H new ATOM 0 HA CYS A 56 -8.247 -7.984 -10.132 1.00 11.42 H new ATOM 0 HB2 CYS A 56 -10.895 -7.263 -11.440 1.00 61.15 H new ATOM 0 HB3 CYS A 56 -10.647 -8.402 -10.131 1.00 61.15 H new ATOM 0 HG CYS A 56 -11.297 -5.206 -9.873 1.00 61.42 H new ATOM 858 N MET A 57 -9.248 -8.353 -13.268 1.00 71.03 N ATOM 859 CA MET A 57 -9.222 -9.267 -14.404 1.00 54.01 C ATOM 860 C MET A 57 -7.789 -9.654 -14.757 1.00 53.22 C ATOM 861 O MET A 57 -7.554 -10.662 -15.422 1.00 51.44 O ATOM 862 CB MET A 57 -9.903 -8.629 -15.616 1.00 42.11 C ATOM 863 CG MET A 57 -9.312 -7.285 -16.007 1.00 24.35 C ATOM 864 SD MET A 57 -10.569 -6.018 -16.255 1.00 13.45 S ATOM 865 CE MET A 57 -11.093 -5.725 -14.567 1.00 62.14 C ATOM 0 H MET A 57 -9.684 -7.452 -13.462 1.00 71.03 H new ATOM 0 HA MET A 57 -9.766 -10.169 -14.125 1.00 54.01 H new ATOM 0 HB2 MET A 57 -9.829 -9.310 -16.464 1.00 42.11 H new ATOM 0 HB3 MET A 57 -10.964 -8.501 -15.401 1.00 42.11 H new ATOM 0 HG2 MET A 57 -8.620 -6.957 -15.231 1.00 24.35 H new ATOM 0 HG3 MET A 57 -8.732 -7.400 -16.923 1.00 24.35 H new ATOM 0 HE1 MET A 57 -11.693 -4.816 -14.525 1.00 62.14 H new ATOM 0 HE2 MET A 57 -11.688 -6.569 -14.219 1.00 62.14 H new ATOM 0 HE3 MET A 57 -10.217 -5.611 -13.929 1.00 62.14 H new ATOM 875 N ASN A 58 -6.835 -8.847 -14.306 1.00 21.02 N ATOM 876 CA ASN A 58 -5.425 -9.105 -14.575 1.00 60.41 C ATOM 877 C ASN A 58 -4.844 -10.075 -13.551 1.00 75.21 C ATOM 878 O ASN A 58 -3.729 -10.569 -13.712 1.00 33.14 O ATOM 879 CB ASN A 58 -4.633 -7.797 -14.560 1.00 12.14 C ATOM 880 CG ASN A 58 -4.483 -7.195 -15.944 1.00 25.13 C ATOM 881 OD1 ASN A 58 -5.570 -7.184 -16.706 1.00 52.15 O flip ATOM 882 ND2 ASN A 58 -3.401 -6.745 -16.323 1.00 55.32 N flip ATOM 0 H ASN A 58 -7.012 -8.009 -13.753 1.00 21.02 H new ATOM 0 HA ASN A 58 -5.347 -9.558 -15.563 1.00 60.41 H new ATOM 0 HB2 ASN A 58 -5.132 -7.081 -13.908 1.00 12.14 H new ATOM 0 HB3 ASN A 58 -3.645 -7.979 -14.137 1.00 12.14 H new ATOM 0 HD21 ASN A 58 -2.591 -6.774 -15.703 1.00 55.32 H new ATOM 0 HD22 ASN A 58 -3.315 -6.343 -17.256 1.00 55.32 H new ATOM 889 N ASN A 59 -5.610 -10.345 -12.498 1.00 44.32 N ATOM 890 CA ASN A 59 -5.172 -11.257 -11.448 1.00 23.02 C ATOM 891 C ASN A 59 -4.860 -12.636 -12.019 1.00 41.22 C ATOM 892 O ASN A 59 -5.575 -13.136 -12.888 1.00 54.31 O ATOM 893 CB ASN A 59 -6.245 -11.372 -10.364 1.00 53.22 C ATOM 894 CG ASN A 59 -5.819 -12.273 -9.221 1.00 34.32 C ATOM 895 OD1 ASN A 59 -4.630 -12.525 -9.025 1.00 22.21 O ATOM 896 ND2 ASN A 59 -6.790 -12.763 -8.460 1.00 60.41 N ATOM 0 H ASN A 59 -6.537 -9.945 -12.350 1.00 44.32 H new ATOM 0 HA ASN A 59 -4.261 -10.852 -11.007 1.00 23.02 H new ATOM 0 HB2 ASN A 59 -6.472 -10.379 -9.975 1.00 53.22 H new ATOM 0 HB3 ASN A 59 -7.163 -11.759 -10.805 1.00 53.22 H new ATOM 0 HD21 ASN A 59 -6.564 -13.375 -7.676 1.00 60.41 H new ATOM 0 HD22 ASN A 59 -7.762 -12.527 -8.659 1.00 60.41 H new ATOM 903 N SER A 60 -3.787 -13.247 -11.526 1.00 54.01 N ATOM 904 CA SER A 60 -3.379 -14.567 -11.990 1.00 23.21 C ATOM 905 C SER A 60 -4.452 -15.608 -11.683 1.00 13.22 C ATOM 906 O SER A 60 -4.531 -16.647 -12.338 1.00 44.52 O ATOM 907 CB SER A 60 -2.057 -14.974 -11.336 1.00 43.33 C ATOM 908 OG SER A 60 -1.436 -13.866 -10.707 1.00 54.34 O ATOM 0 H SER A 60 -3.185 -12.849 -10.805 1.00 54.01 H new ATOM 0 HA SER A 60 -3.243 -14.519 -13.070 1.00 23.21 H new ATOM 0 HB2 SER A 60 -2.238 -15.759 -10.601 1.00 43.33 H new ATOM 0 HB3 SER A 60 -1.388 -15.390 -12.089 1.00 43.33 H new ATOM 0 HG SER A 60 -0.734 -14.185 -10.102 1.00 54.34 H new ATOM 914 N ASP A 61 -5.276 -15.319 -10.682 1.00 51.44 N ATOM 915 CA ASP A 61 -6.347 -16.228 -10.287 1.00 24.22 C ATOM 916 C ASP A 61 -7.433 -16.286 -11.357 1.00 63.14 C ATOM 917 O ASP A 61 -7.300 -15.686 -12.424 1.00 53.23 O ATOM 918 CB ASP A 61 -6.951 -15.789 -8.953 1.00 61.04 C ATOM 919 CG ASP A 61 -7.281 -16.963 -8.052 1.00 61.14 C ATOM 920 OD1 ASP A 61 -8.076 -17.829 -8.475 1.00 30.24 O ATOM 921 OD2 ASP A 61 -6.746 -17.015 -6.925 1.00 50.14 O ATOM 0 H ASP A 61 -5.223 -14.463 -10.129 1.00 51.44 H new ATOM 0 HA ASP A 61 -5.921 -17.225 -10.173 1.00 24.22 H new ATOM 0 HB2 ASP A 61 -6.252 -15.127 -8.441 1.00 61.04 H new ATOM 0 HB3 ASP A 61 -7.857 -15.212 -9.140 1.00 61.04 H new ATOM 926 N LYS A 62 -8.505 -17.014 -11.065 1.00 62.01 N ATOM 927 CA LYS A 62 -9.615 -17.151 -12.001 1.00 73.21 C ATOM 928 C LYS A 62 -10.944 -16.851 -11.317 1.00 31.01 C ATOM 929 O LYS A 62 -11.834 -16.241 -11.909 1.00 1.52 O ATOM 930 CB LYS A 62 -9.640 -18.564 -12.590 1.00 54.42 C ATOM 931 CG LYS A 62 -9.427 -19.657 -11.558 1.00 30.35 C ATOM 932 CD LYS A 62 -8.101 -20.370 -11.766 1.00 23.21 C ATOM 933 CE LYS A 62 -7.575 -20.960 -10.467 1.00 71.44 C ATOM 934 NZ LYS A 62 -6.474 -21.934 -10.706 1.00 34.32 N ATOM 0 H LYS A 62 -8.629 -17.519 -10.187 1.00 62.01 H new ATOM 0 HA LYS A 62 -9.470 -16.430 -12.806 1.00 73.21 H new ATOM 0 HB2 LYS A 62 -10.598 -18.725 -13.085 1.00 54.42 H new ATOM 0 HB3 LYS A 62 -8.868 -18.643 -13.355 1.00 54.42 H new ATOM 0 HG2 LYS A 62 -9.456 -19.225 -10.558 1.00 30.35 H new ATOM 0 HG3 LYS A 62 -10.242 -20.378 -11.617 1.00 30.35 H new ATOM 0 HD2 LYS A 62 -8.225 -21.163 -12.503 1.00 23.21 H new ATOM 0 HD3 LYS A 62 -7.370 -19.670 -12.171 1.00 23.21 H new ATOM 0 HE2 LYS A 62 -7.216 -20.157 -9.823 1.00 71.44 H new ATOM 0 HE3 LYS A 62 -8.389 -21.455 -9.937 1.00 71.44 H new ATOM 0 HZ1 LYS A 62 -6.143 -22.314 -9.796 1.00 34.32 H new ATOM 0 HZ2 LYS A 62 -6.823 -22.713 -11.300 1.00 34.32 H new ATOM 0 HZ3 LYS A 62 -5.687 -21.456 -11.189 1.00 34.32 H new ATOM 948 N ARG A 63 -11.071 -17.282 -10.066 1.00 54.00 N ATOM 949 CA ARG A 63 -12.293 -17.059 -9.301 1.00 42.12 C ATOM 950 C ARG A 63 -12.300 -15.663 -8.685 1.00 34.44 C ATOM 951 O ARG A 63 -13.356 -15.122 -8.358 1.00 54.24 O ATOM 952 CB ARG A 63 -12.433 -18.115 -8.203 1.00 4.13 C ATOM 953 CG ARG A 63 -13.082 -19.405 -8.678 1.00 33.45 C ATOM 954 CD ARG A 63 -12.165 -20.600 -8.466 1.00 41.34 C ATOM 955 NE ARG A 63 -12.909 -21.800 -8.091 1.00 31.25 N ATOM 956 CZ ARG A 63 -12.340 -22.888 -7.584 1.00 31.33 C ATOM 957 NH1 ARG A 63 -11.029 -22.927 -7.392 1.00 42.10 N ATOM 958 NH2 ARG A 63 -13.084 -23.939 -7.266 1.00 75.43 N ATOM 0 H ARG A 63 -10.343 -17.787 -9.561 1.00 54.00 H new ATOM 0 HA ARG A 63 -13.140 -17.141 -9.983 1.00 42.12 H new ATOM 0 HB2 ARG A 63 -11.446 -18.342 -7.801 1.00 4.13 H new ATOM 0 HB3 ARG A 63 -13.023 -17.701 -7.385 1.00 4.13 H new ATOM 0 HG2 ARG A 63 -14.017 -19.563 -8.141 1.00 33.45 H new ATOM 0 HG3 ARG A 63 -13.332 -19.320 -9.735 1.00 33.45 H new ATOM 0 HD2 ARG A 63 -11.603 -20.793 -9.380 1.00 41.34 H new ATOM 0 HD3 ARG A 63 -11.438 -20.366 -7.688 1.00 41.34 H new ATOM 0 HE ARG A 63 -13.920 -21.803 -8.226 1.00 31.25 H new ATOM 0 HH11 ARG A 63 -10.454 -22.120 -7.634 1.00 42.10 H new ATOM 0 HH12 ARG A 63 -10.595 -23.764 -7.002 1.00 42.10 H new ATOM 0 HH21 ARG A 63 -14.093 -23.912 -7.411 1.00 75.43 H new ATOM 0 HH22 ARG A 63 -12.647 -24.774 -6.877 1.00 75.43 H new ATOM 972 N PHE A 64 -11.113 -15.086 -8.525 1.00 43.25 N ATOM 973 CA PHE A 64 -10.982 -13.754 -7.946 1.00 32.01 C ATOM 974 C PHE A 64 -10.293 -12.803 -8.920 1.00 12.44 C ATOM 975 O PHE A 64 -9.699 -11.805 -8.514 1.00 22.33 O ATOM 976 CB PHE A 64 -10.194 -13.820 -6.637 1.00 20.51 C ATOM 977 CG PHE A 64 -11.055 -14.057 -5.428 1.00 43.43 C ATOM 978 CD1 PHE A 64 -11.913 -15.143 -5.376 1.00 74.32 C ATOM 979 CD2 PHE A 64 -11.008 -13.192 -4.347 1.00 61.05 C ATOM 980 CE1 PHE A 64 -12.708 -15.362 -4.266 1.00 61.43 C ATOM 981 CE2 PHE A 64 -11.799 -13.406 -3.235 1.00 53.33 C ATOM 982 CZ PHE A 64 -12.650 -14.493 -3.194 1.00 31.50 C ATOM 0 H PHE A 64 -10.228 -15.520 -8.788 1.00 43.25 H new ATOM 0 HA PHE A 64 -11.983 -13.374 -7.741 1.00 32.01 H new ATOM 0 HB2 PHE A 64 -9.454 -14.617 -6.708 1.00 20.51 H new ATOM 0 HB3 PHE A 64 -9.646 -12.887 -6.505 1.00 20.51 H new ATOM 0 HD1 PHE A 64 -11.962 -15.826 -6.211 1.00 74.32 H new ATOM 0 HD2 PHE A 64 -10.345 -12.340 -4.374 1.00 61.05 H new ATOM 0 HE1 PHE A 64 -13.374 -16.212 -4.237 1.00 61.43 H new ATOM 0 HE2 PHE A 64 -11.752 -12.724 -2.399 1.00 53.33 H new ATOM 0 HZ PHE A 64 -13.269 -14.663 -2.325 1.00 31.50 H new ATOM 992 N ALA A 65 -10.380 -13.119 -10.207 1.00 65.52 N ATOM 993 CA ALA A 65 -9.767 -12.293 -11.240 1.00 65.50 C ATOM 994 C ALA A 65 -10.825 -11.559 -12.056 1.00 51.05 C ATOM 995 O ALA A 65 -11.032 -11.857 -13.233 1.00 63.02 O ATOM 996 CB ALA A 65 -8.893 -13.145 -12.148 1.00 3.42 C ATOM 0 H ALA A 65 -10.869 -13.941 -10.560 1.00 65.52 H new ATOM 0 HA ALA A 65 -9.142 -11.546 -10.750 1.00 65.50 H new ATOM 0 HB1 ALA A 65 -8.442 -12.515 -12.915 1.00 3.42 H new ATOM 0 HB2 ALA A 65 -8.108 -13.618 -11.558 1.00 3.42 H new ATOM 0 HB3 ALA A 65 -9.503 -13.914 -12.623 1.00 3.42 H new ATOM 1002 N ASP A 66 -11.494 -10.601 -11.425 1.00 30.15 N ATOM 1003 CA ASP A 66 -12.531 -9.824 -12.094 1.00 74.14 C ATOM 1004 C ASP A 66 -13.075 -8.736 -11.173 1.00 73.51 C ATOM 1005 O ASP A 66 -13.207 -8.940 -9.965 1.00 52.43 O ATOM 1006 CB ASP A 66 -13.669 -10.740 -12.549 1.00 53.43 C ATOM 1007 CG ASP A 66 -13.595 -11.063 -14.028 1.00 54.24 C ATOM 1008 OD1 ASP A 66 -13.572 -10.116 -14.842 1.00 22.02 O ATOM 1009 OD2 ASP A 66 -13.562 -12.263 -14.373 1.00 13.22 O ATOM 0 H ASP A 66 -11.337 -10.343 -10.451 1.00 30.15 H new ATOM 0 HA ASP A 66 -12.087 -9.346 -12.967 1.00 74.14 H new ATOM 0 HB2 ASP A 66 -13.637 -11.666 -11.976 1.00 53.43 H new ATOM 0 HB3 ASP A 66 -14.625 -10.263 -12.331 1.00 53.43 H new ATOM 1014 N CYS A 67 -13.386 -7.581 -11.750 1.00 54.12 N ATOM 1015 CA CYS A 67 -13.913 -6.460 -10.981 1.00 0.44 C ATOM 1016 C CYS A 67 -15.254 -6.818 -10.346 1.00 61.02 C ATOM 1017 O CYS A 67 -15.639 -6.252 -9.324 1.00 12.32 O ATOM 1018 CB CYS A 67 -14.074 -5.231 -11.878 1.00 43.12 C ATOM 1019 SG CYS A 67 -12.596 -4.167 -11.951 1.00 44.33 S ATOM 0 H CYS A 67 -13.282 -7.396 -12.748 1.00 54.12 H new ATOM 0 HA CYS A 67 -13.203 -6.232 -10.186 1.00 0.44 H new ATOM 0 HB2 CYS A 67 -14.322 -5.560 -12.887 1.00 43.12 H new ATOM 0 HB3 CYS A 67 -14.917 -4.640 -11.519 1.00 43.12 H new ATOM 0 HG CYS A 67 -12.359 -3.672 -10.772 1.00 44.33 H new ATOM 1024 N SER A 68 -15.960 -7.763 -10.961 1.00 21.03 N ATOM 1025 CA SER A 68 -17.259 -8.194 -10.458 1.00 44.20 C ATOM 1026 C SER A 68 -17.116 -8.883 -9.105 1.00 11.01 C ATOM 1027 O SER A 68 -18.055 -8.918 -8.309 1.00 51.40 O ATOM 1028 CB SER A 68 -17.927 -9.140 -11.457 1.00 72.45 C ATOM 1029 OG SER A 68 -19.194 -9.567 -10.987 1.00 40.44 O ATOM 0 H SER A 68 -15.654 -8.244 -11.807 1.00 21.03 H new ATOM 0 HA SER A 68 -17.884 -7.310 -10.331 1.00 44.20 H new ATOM 0 HB2 SER A 68 -18.042 -8.637 -12.417 1.00 72.45 H new ATOM 0 HB3 SER A 68 -17.287 -10.006 -11.626 1.00 72.45 H new ATOM 0 HG SER A 68 -19.601 -10.169 -11.644 1.00 40.44 H new ATOM 1035 N LYS A 69 -15.934 -9.432 -8.849 1.00 5.05 N ATOM 1036 CA LYS A 69 -15.664 -10.119 -7.591 1.00 4.11 C ATOM 1037 C LYS A 69 -15.759 -9.155 -6.413 1.00 64.22 C ATOM 1038 O LYS A 69 -16.207 -8.019 -6.563 1.00 20.14 O ATOM 1039 CB LYS A 69 -14.277 -10.764 -7.626 1.00 62.21 C ATOM 1040 CG LYS A 69 -14.043 -11.640 -8.845 1.00 54.22 C ATOM 1041 CD LYS A 69 -15.059 -12.768 -8.924 1.00 10.02 C ATOM 1042 CE LYS A 69 -14.924 -13.550 -10.221 1.00 44.24 C ATOM 1043 NZ LYS A 69 -15.550 -14.898 -10.125 1.00 23.21 N ATOM 0 H LYS A 69 -15.146 -9.415 -9.497 1.00 5.05 H new ATOM 0 HA LYS A 69 -16.416 -10.897 -7.462 1.00 4.11 H new ATOM 0 HB2 LYS A 69 -13.520 -9.980 -7.602 1.00 62.21 H new ATOM 0 HB3 LYS A 69 -14.142 -11.365 -6.726 1.00 62.21 H new ATOM 0 HG2 LYS A 69 -14.102 -11.032 -9.748 1.00 54.22 H new ATOM 0 HG3 LYS A 69 -13.037 -12.057 -8.807 1.00 54.22 H new ATOM 0 HD2 LYS A 69 -14.924 -13.440 -8.077 1.00 10.02 H new ATOM 0 HD3 LYS A 69 -16.066 -12.358 -8.848 1.00 10.02 H new ATOM 0 HE2 LYS A 69 -15.390 -12.991 -11.032 1.00 44.24 H new ATOM 0 HE3 LYS A 69 -13.869 -13.657 -10.472 1.00 44.24 H new ATOM 0 HZ1 LYS A 69 -15.542 -15.352 -11.061 1.00 23.21 H new ATOM 0 HZ2 LYS A 69 -15.014 -15.482 -9.452 1.00 23.21 H new ATOM 0 HZ3 LYS A 69 -16.532 -14.802 -9.795 1.00 23.21 H new ATOM 1057 N SER A 70 -15.332 -9.617 -5.242 1.00 13.44 N ATOM 1058 CA SER A 70 -15.371 -8.796 -4.037 1.00 53.30 C ATOM 1059 C SER A 70 -13.962 -8.514 -3.525 1.00 61.24 C ATOM 1060 O SER A 70 -12.976 -8.916 -4.141 1.00 41.15 O ATOM 1061 CB SER A 70 -16.192 -9.490 -2.948 1.00 13.21 C ATOM 1062 OG SER A 70 -17.576 -9.454 -3.251 1.00 24.10 O ATOM 0 H SER A 70 -14.955 -10.555 -5.102 1.00 13.44 H new ATOM 0 HA SER A 70 -15.843 -7.847 -4.289 1.00 53.30 H new ATOM 0 HB2 SER A 70 -15.866 -10.525 -2.846 1.00 13.21 H new ATOM 0 HB3 SER A 70 -16.014 -9.004 -1.989 1.00 13.21 H new ATOM 0 HG SER A 70 -18.078 -9.905 -2.541 1.00 24.10 H new ATOM 1068 N GLN A 71 -13.878 -7.820 -2.395 1.00 64.54 N ATOM 1069 CA GLN A 71 -12.589 -7.485 -1.800 1.00 5.42 C ATOM 1070 C GLN A 71 -11.963 -8.704 -1.131 1.00 33.13 C ATOM 1071 O GLN A 71 -12.639 -9.447 -0.421 1.00 32.15 O ATOM 1072 CB GLN A 71 -12.753 -6.356 -0.781 1.00 30.04 C ATOM 1073 CG GLN A 71 -11.498 -6.081 0.030 1.00 25.32 C ATOM 1074 CD GLN A 71 -11.064 -4.630 -0.037 1.00 53.23 C ATOM 1075 OE1 GLN A 71 -11.895 -3.728 -0.148 1.00 10.42 O ATOM 1076 NE2 GLN A 71 -9.759 -4.396 0.032 1.00 71.13 N ATOM 0 H GLN A 71 -14.686 -7.479 -1.873 1.00 64.54 H new ATOM 0 HA GLN A 71 -11.925 -7.152 -2.598 1.00 5.42 H new ATOM 0 HB2 GLN A 71 -13.044 -5.445 -1.304 1.00 30.04 H new ATOM 0 HB3 GLN A 71 -13.567 -6.607 -0.101 1.00 30.04 H new ATOM 0 HG2 GLN A 71 -11.675 -6.355 1.070 1.00 25.32 H new ATOM 0 HG3 GLN A 71 -10.689 -6.715 -0.334 1.00 25.32 H new ATOM 0 HE21 GLN A 71 -9.106 -5.174 0.124 1.00 71.13 H new ATOM 0 HE22 GLN A 71 -9.410 -3.438 -0.007 1.00 71.13 H new ATOM 1085 N GLU A 72 -10.670 -8.901 -1.363 1.00 71.32 N ATOM 1086 CA GLU A 72 -9.954 -10.032 -0.783 1.00 75.23 C ATOM 1087 C GLU A 72 -9.930 -9.936 0.740 1.00 71.33 C ATOM 1088 O GLU A 72 -10.368 -10.852 1.436 1.00 62.32 O ATOM 1089 CB GLU A 72 -8.524 -10.091 -1.324 1.00 11.33 C ATOM 1090 CG GLU A 72 -8.436 -10.582 -2.759 1.00 32.51 C ATOM 1091 CD GLU A 72 -9.126 -9.652 -3.737 1.00 51.45 C ATOM 1092 OE1 GLU A 72 -8.495 -8.662 -4.160 1.00 3.00 O ATOM 1093 OE2 GLU A 72 -10.298 -9.916 -4.080 1.00 60.20 O ATOM 0 H GLU A 72 -10.096 -8.293 -1.948 1.00 71.32 H new ATOM 0 HA GLU A 72 -10.479 -10.945 -1.065 1.00 75.23 H new ATOM 0 HB2 GLU A 72 -8.079 -9.098 -1.261 1.00 11.33 H new ATOM 0 HB3 GLU A 72 -7.930 -10.747 -0.687 1.00 11.33 H new ATOM 0 HG2 GLU A 72 -7.388 -10.686 -3.040 1.00 32.51 H new ATOM 0 HG3 GLU A 72 -8.884 -11.573 -2.828 1.00 32.51 H new ATOM 1100 N MET A 73 -9.416 -8.823 1.249 1.00 25.25 N ATOM 1101 CA MET A 73 -9.335 -8.607 2.689 1.00 12.01 C ATOM 1102 C MET A 73 -9.890 -7.237 3.066 1.00 51.55 C ATOM 1103 O MET A 73 -9.760 -6.274 2.310 1.00 64.42 O ATOM 1104 CB MET A 73 -7.886 -8.731 3.165 1.00 1.04 C ATOM 1105 CG MET A 73 -7.436 -10.168 3.370 1.00 22.43 C ATOM 1106 SD MET A 73 -6.255 -10.339 4.723 1.00 65.21 S ATOM 1107 CE MET A 73 -5.305 -8.831 4.536 1.00 72.14 C ATOM 0 H MET A 73 -9.049 -8.056 0.686 1.00 25.25 H new ATOM 0 HA MET A 73 -9.938 -9.371 3.179 1.00 12.01 H new ATOM 0 HB2 MET A 73 -7.231 -8.254 2.436 1.00 1.04 H new ATOM 0 HB3 MET A 73 -7.772 -8.186 4.102 1.00 1.04 H new ATOM 0 HG2 MET A 73 -8.307 -10.792 3.572 1.00 22.43 H new ATOM 0 HG3 MET A 73 -6.985 -10.538 2.450 1.00 22.43 H new ATOM 0 HE1 MET A 73 -4.255 -9.034 4.745 1.00 72.14 H new ATOM 0 HE2 MET A 73 -5.407 -8.461 3.516 1.00 72.14 H new ATOM 0 HE3 MET A 73 -5.675 -8.079 5.233 1.00 72.14 H new ATOM 1117 N SER A 74 -10.511 -7.157 4.239 1.00 45.53 N ATOM 1118 CA SER A 74 -11.090 -5.905 4.713 1.00 63.30 C ATOM 1119 C SER A 74 -10.022 -4.823 4.833 1.00 65.43 C ATOM 1120 O SER A 74 -8.868 -5.108 5.152 1.00 10.31 O ATOM 1121 CB SER A 74 -11.773 -6.115 6.066 1.00 61.12 C ATOM 1122 OG SER A 74 -12.749 -7.139 5.991 1.00 32.11 O ATOM 0 H SER A 74 -10.626 -7.944 4.878 1.00 45.53 H new ATOM 0 HA SER A 74 -11.833 -5.579 3.985 1.00 63.30 H new ATOM 0 HB2 SER A 74 -11.027 -6.374 6.817 1.00 61.12 H new ATOM 0 HB3 SER A 74 -12.241 -5.185 6.389 1.00 61.12 H new ATOM 0 HG SER A 74 -13.170 -7.255 6.869 1.00 32.11 H new ATOM 1128 N ASN A 75 -10.415 -3.581 4.573 1.00 22.21 N ATOM 1129 CA ASN A 75 -9.491 -2.455 4.650 1.00 14.34 C ATOM 1130 C ASN A 75 -8.731 -2.465 5.973 1.00 51.00 C ATOM 1131 O ASN A 75 -7.560 -2.088 6.030 1.00 53.35 O ATOM 1132 CB ASN A 75 -10.250 -1.135 4.495 1.00 33.44 C ATOM 1133 CG ASN A 75 -9.825 -0.365 3.259 1.00 75.24 C ATOM 1134 OD1 ASN A 75 -9.550 0.833 3.324 1.00 1.00 O ATOM 1135 ND2 ASN A 75 -9.771 -1.053 2.125 1.00 52.11 N ATOM 0 H ASN A 75 -11.367 -3.328 4.307 1.00 22.21 H new ATOM 0 HA ASN A 75 -8.771 -2.551 3.837 1.00 14.34 H new ATOM 0 HB2 ASN A 75 -11.320 -1.338 4.443 1.00 33.44 H new ATOM 0 HB3 ASN A 75 -10.085 -0.518 5.378 1.00 33.44 H new ATOM 0 HD21 ASN A 75 -9.493 -0.590 1.260 1.00 52.11 H new ATOM 0 HD22 ASN A 75 -10.008 -2.045 2.119 1.00 52.11 H new ATOM 1142 N GLU A 76 -9.404 -2.899 7.034 1.00 44.34 N ATOM 1143 CA GLU A 76 -8.791 -2.957 8.355 1.00 75.52 C ATOM 1144 C GLU A 76 -7.610 -3.924 8.365 1.00 31.31 C ATOM 1145 O GLU A 76 -6.526 -3.589 8.839 1.00 72.43 O ATOM 1146 CB GLU A 76 -9.822 -3.386 9.402 1.00 13.44 C ATOM 1147 CG GLU A 76 -10.555 -4.668 9.045 1.00 32.33 C ATOM 1148 CD GLU A 76 -12.007 -4.652 9.481 1.00 2.24 C ATOM 1149 OE1 GLU A 76 -12.264 -4.768 10.697 1.00 24.44 O ATOM 1150 OE2 GLU A 76 -12.888 -4.521 8.605 1.00 24.30 O ATOM 0 H GLU A 76 -10.373 -3.215 7.004 1.00 44.34 H new ATOM 0 HA GLU A 76 -8.426 -1.960 8.601 1.00 75.52 H new ATOM 0 HB2 GLU A 76 -9.320 -3.519 10.360 1.00 13.44 H new ATOM 0 HB3 GLU A 76 -10.550 -2.585 9.532 1.00 13.44 H new ATOM 0 HG2 GLU A 76 -10.505 -4.822 7.967 1.00 32.33 H new ATOM 0 HG3 GLU A 76 -10.049 -5.513 9.512 1.00 32.33 H new ATOM 1157 N GLU A 77 -7.831 -5.124 7.837 1.00 74.10 N ATOM 1158 CA GLU A 77 -6.785 -6.140 7.786 1.00 10.12 C ATOM 1159 C GLU A 77 -5.622 -5.678 6.913 1.00 22.42 C ATOM 1160 O GLU A 77 -4.456 -5.890 7.252 1.00 12.05 O ATOM 1161 CB GLU A 77 -7.349 -7.457 7.249 1.00 10.15 C ATOM 1162 CG GLU A 77 -8.473 -8.029 8.097 1.00 3.13 C ATOM 1163 CD GLU A 77 -8.456 -9.544 8.143 1.00 34.22 C ATOM 1164 OE1 GLU A 77 -7.716 -10.103 8.981 1.00 53.52 O ATOM 1165 OE2 GLU A 77 -9.181 -10.171 7.344 1.00 74.33 O ATOM 0 H GLU A 77 -8.723 -5.416 7.439 1.00 74.10 H new ATOM 0 HA GLU A 77 -6.416 -6.298 8.799 1.00 10.12 H new ATOM 0 HB2 GLU A 77 -7.715 -7.299 6.235 1.00 10.15 H new ATOM 0 HB3 GLU A 77 -6.544 -8.189 7.187 1.00 10.15 H new ATOM 0 HG2 GLU A 77 -8.393 -7.638 9.111 1.00 3.13 H new ATOM 0 HG3 GLU A 77 -9.430 -7.692 7.700 1.00 3.13 H new ATOM 1172 N ILE A 78 -5.946 -5.048 5.789 1.00 72.33 N ATOM 1173 CA ILE A 78 -4.928 -4.557 4.869 1.00 61.23 C ATOM 1174 C ILE A 78 -4.142 -3.404 5.482 1.00 34.50 C ATOM 1175 O ILE A 78 -2.919 -3.340 5.363 1.00 72.32 O ATOM 1176 CB ILE A 78 -5.550 -4.091 3.540 1.00 25.35 C ATOM 1177 CG1 ILE A 78 -6.462 -5.178 2.968 1.00 11.15 C ATOM 1178 CG2 ILE A 78 -4.459 -3.729 2.543 1.00 63.24 C ATOM 1179 CD1 ILE A 78 -7.350 -4.691 1.845 1.00 42.14 C ATOM 0 H ILE A 78 -6.905 -4.866 5.494 1.00 72.33 H new ATOM 0 HA ILE A 78 -4.252 -5.389 4.673 1.00 61.23 H new ATOM 0 HB ILE A 78 -6.152 -3.202 3.730 1.00 25.35 H new ATOM 0 HG12 ILE A 78 -5.848 -6.002 2.604 1.00 11.15 H new ATOM 0 HG13 ILE A 78 -7.086 -5.575 3.768 1.00 11.15 H new ATOM 0 HG21 ILE A 78 -4.914 -3.401 1.608 1.00 63.24 H new ATOM 0 HG22 ILE A 78 -3.847 -2.924 2.950 1.00 63.24 H new ATOM 0 HG23 ILE A 78 -3.833 -4.602 2.355 1.00 63.24 H new ATOM 0 HD11 ILE A 78 -7.969 -5.514 1.488 1.00 42.14 H new ATOM 0 HD12 ILE A 78 -7.990 -3.887 2.209 1.00 42.14 H new ATOM 0 HD13 ILE A 78 -6.732 -4.320 1.027 1.00 42.14 H new ATOM 1191 N ASN A 79 -4.853 -2.495 6.143 1.00 65.34 N ATOM 1192 CA ASN A 79 -4.222 -1.344 6.777 1.00 24.33 C ATOM 1193 C ASN A 79 -3.260 -1.788 7.876 1.00 54.43 C ATOM 1194 O ASN A 79 -2.153 -1.265 7.993 1.00 64.44 O ATOM 1195 CB ASN A 79 -5.285 -0.411 7.359 1.00 23.24 C ATOM 1196 CG ASN A 79 -4.905 0.112 8.732 1.00 32.12 C ATOM 1197 OD1 ASN A 79 -4.269 1.158 8.856 1.00 21.42 O ATOM 1198 ND2 ASN A 79 -5.296 -0.618 9.771 1.00 52.54 N ATOM 0 H ASN A 79 -5.866 -2.534 6.253 1.00 65.34 H new ATOM 0 HA ASN A 79 -3.654 -0.807 6.017 1.00 24.33 H new ATOM 0 HB2 ASN A 79 -5.437 0.430 6.682 1.00 23.24 H new ATOM 0 HB3 ASN A 79 -6.234 -0.942 7.425 1.00 23.24 H new ATOM 0 HD21 ASN A 79 -5.070 -0.317 10.719 1.00 52.54 H new ATOM 0 HD22 ASN A 79 -5.822 -1.479 9.620 1.00 52.54 H new ATOM 1205 N GLU A 80 -3.694 -2.756 8.678 1.00 0.42 N ATOM 1206 CA GLU A 80 -2.872 -3.269 9.768 1.00 43.23 C ATOM 1207 C GLU A 80 -1.770 -4.179 9.235 1.00 72.53 C ATOM 1208 O GLU A 80 -0.708 -4.307 9.844 1.00 5.21 O ATOM 1209 CB GLU A 80 -3.737 -4.031 10.773 1.00 13.21 C ATOM 1210 CG GLU A 80 -3.874 -5.512 10.460 1.00 43.23 C ATOM 1211 CD GLU A 80 -2.749 -6.340 11.050 1.00 10.40 C ATOM 1212 OE1 GLU A 80 -2.501 -6.221 12.268 1.00 32.13 O ATOM 1213 OE2 GLU A 80 -2.118 -7.107 10.294 1.00 42.01 O ATOM 0 H GLU A 80 -4.608 -3.200 8.593 1.00 0.42 H new ATOM 0 HA GLU A 80 -2.407 -2.420 10.270 1.00 43.23 H new ATOM 0 HB2 GLU A 80 -3.308 -3.917 11.769 1.00 13.21 H new ATOM 0 HB3 GLU A 80 -4.729 -3.581 10.800 1.00 13.21 H new ATOM 0 HG2 GLU A 80 -4.827 -5.874 10.845 1.00 43.23 H new ATOM 0 HG3 GLU A 80 -3.894 -5.651 9.379 1.00 43.23 H new ATOM 1220 N GLU A 81 -2.031 -4.811 8.095 1.00 41.01 N ATOM 1221 CA GLU A 81 -1.062 -5.711 7.481 1.00 12.42 C ATOM 1222 C GLU A 81 0.158 -4.940 6.984 1.00 23.42 C ATOM 1223 O GLU A 81 1.295 -5.270 7.323 1.00 34.35 O ATOM 1224 CB GLU A 81 -1.704 -6.473 6.320 1.00 44.13 C ATOM 1225 CG GLU A 81 -0.740 -7.391 5.587 1.00 54.42 C ATOM 1226 CD GLU A 81 -0.053 -8.375 6.513 1.00 22.42 C ATOM 1227 OE1 GLU A 81 -0.755 -9.015 7.323 1.00 73.12 O ATOM 1228 OE2 GLU A 81 1.186 -8.504 6.429 1.00 24.34 O ATOM 0 H GLU A 81 -2.905 -4.716 7.578 1.00 41.01 H new ATOM 0 HA GLU A 81 -0.737 -6.424 8.239 1.00 12.42 H new ATOM 0 HB2 GLU A 81 -2.537 -7.064 6.701 1.00 44.13 H new ATOM 0 HB3 GLU A 81 -2.120 -5.756 5.612 1.00 44.13 H new ATOM 0 HG2 GLU A 81 -1.282 -7.940 4.817 1.00 54.42 H new ATOM 0 HG3 GLU A 81 0.014 -6.789 5.079 1.00 54.42 H new ATOM 1235 N LEU A 82 -0.086 -3.912 6.179 1.00 52.31 N ATOM 1236 CA LEU A 82 0.992 -3.093 5.635 1.00 52.12 C ATOM 1237 C LEU A 82 1.457 -2.059 6.654 1.00 43.41 C ATOM 1238 O LEU A 82 2.617 -1.650 6.653 1.00 1.22 O ATOM 1239 CB LEU A 82 0.530 -2.395 4.355 1.00 0.02 C ATOM 1240 CG LEU A 82 0.058 -3.309 3.224 1.00 43.53 C ATOM 1241 CD1 LEU A 82 -1.408 -3.053 2.909 1.00 4.42 C ATOM 1242 CD2 LEU A 82 0.915 -3.109 1.982 1.00 72.11 C ATOM 0 H LEU A 82 -1.021 -3.626 5.888 1.00 52.31 H new ATOM 0 HA LEU A 82 1.832 -3.747 5.402 1.00 52.12 H new ATOM 0 HB2 LEU A 82 -0.283 -1.715 4.609 1.00 0.02 H new ATOM 0 HB3 LEU A 82 1.352 -1.783 3.982 1.00 0.02 H new ATOM 0 HG LEU A 82 0.164 -4.344 3.550 1.00 43.53 H new ATOM 0 HD11 LEU A 82 -1.727 -3.712 2.102 1.00 4.42 H new ATOM 0 HD12 LEU A 82 -2.010 -3.248 3.796 1.00 4.42 H new ATOM 0 HD13 LEU A 82 -1.539 -2.015 2.603 1.00 4.42 H new ATOM 0 HD21 LEU A 82 0.564 -3.768 1.188 1.00 72.11 H new ATOM 0 HD22 LEU A 82 0.842 -2.073 1.652 1.00 72.11 H new ATOM 0 HD23 LEU A 82 1.954 -3.343 2.215 1.00 72.11 H new ATOM 1254 N GLY A 83 0.543 -1.639 7.523 1.00 13.03 N ATOM 1255 CA GLY A 83 0.879 -0.656 8.538 1.00 71.24 C ATOM 1256 C GLY A 83 0.772 0.765 8.025 1.00 34.14 C ATOM 1257 O GLY A 83 1.573 1.627 8.391 1.00 73.13 O ATOM 0 H GLY A 83 -0.424 -1.962 7.543 1.00 13.03 H new ATOM 0 HA2 GLY A 83 0.216 -0.781 9.394 1.00 71.24 H new ATOM 0 HA3 GLY A 83 1.894 -0.836 8.892 1.00 71.24 H new ATOM 1261 N ILE A 84 -0.219 1.013 7.174 1.00 33.51 N ATOM 1262 CA ILE A 84 -0.427 2.341 6.610 1.00 25.50 C ATOM 1263 C ILE A 84 -1.594 3.050 7.290 1.00 63.24 C ATOM 1264 O ILE A 84 -2.173 2.538 8.247 1.00 45.44 O ATOM 1265 CB ILE A 84 -0.693 2.274 5.095 1.00 73.21 C ATOM 1266 CG1 ILE A 84 -1.945 1.441 4.812 1.00 21.02 C ATOM 1267 CG2 ILE A 84 0.512 1.691 4.370 1.00 14.13 C ATOM 1268 CD1 ILE A 84 -2.406 1.513 3.373 1.00 24.14 C ATOM 0 H ILE A 84 -0.890 0.312 6.860 1.00 33.51 H new ATOM 0 HA ILE A 84 0.489 2.905 6.784 1.00 25.50 H new ATOM 0 HB ILE A 84 -0.860 3.286 4.725 1.00 73.21 H new ATOM 0 HG12 ILE A 84 -1.745 0.401 5.069 1.00 21.02 H new ATOM 0 HG13 ILE A 84 -2.752 1.781 5.461 1.00 21.02 H new ATOM 0 HG21 ILE A 84 0.308 1.650 3.300 1.00 14.13 H new ATOM 0 HG22 ILE A 84 1.384 2.320 4.550 1.00 14.13 H new ATOM 0 HG23 ILE A 84 0.708 0.685 4.741 1.00 14.13 H new ATOM 0 HD11 ILE A 84 -3.297 0.899 3.245 1.00 24.14 H new ATOM 0 HD12 ILE A 84 -2.638 2.547 3.116 1.00 24.14 H new ATOM 0 HD13 ILE A 84 -1.615 1.145 2.719 1.00 24.14 H new ATOM 1280 N GLY A 85 -1.935 4.232 6.786 1.00 22.22 N ATOM 1281 CA GLY A 85 -3.032 4.992 7.354 1.00 54.11 C ATOM 1282 C GLY A 85 -4.378 4.573 6.796 1.00 75.40 C ATOM 1283 O GLY A 85 -5.294 4.243 7.550 1.00 13.42 O ATOM 0 H GLY A 85 -1.471 4.677 5.994 1.00 22.22 H new ATOM 0 HA2 GLY A 85 -3.036 4.865 8.437 1.00 54.11 H new ATOM 0 HA3 GLY A 85 -2.875 6.053 7.158 1.00 54.11 H new ATOM 1287 N GLN A 86 -4.498 4.586 5.473 1.00 12.45 N ATOM 1288 CA GLN A 86 -5.744 4.207 4.816 1.00 42.13 C ATOM 1289 C GLN A 86 -6.925 4.967 5.408 1.00 51.21 C ATOM 1290 O GLN A 86 -6.747 5.891 6.201 1.00 13.44 O ATOM 1291 CB GLN A 86 -5.975 2.701 4.945 1.00 74.12 C ATOM 1292 CG GLN A 86 -6.003 1.973 3.612 1.00 64.25 C ATOM 1293 CD GLN A 86 -6.002 0.465 3.770 1.00 42.24 C ATOM 1294 OE1 GLN A 86 -5.208 -0.217 2.951 1.00 54.15 O flip ATOM 1295 NE2 GLN A 86 -6.708 -0.082 4.617 1.00 31.30 N flip ATOM 0 H GLN A 86 -3.749 4.854 4.835 1.00 12.45 H new ATOM 0 HA GLN A 86 -5.662 4.466 3.760 1.00 42.13 H new ATOM 0 HB2 GLN A 86 -5.188 2.273 5.566 1.00 74.12 H new ATOM 0 HB3 GLN A 86 -6.919 2.530 5.463 1.00 74.12 H new ATOM 0 HG2 GLN A 86 -6.890 2.276 3.056 1.00 64.25 H new ATOM 0 HG3 GLN A 86 -5.138 2.273 3.020 1.00 64.25 H new ATOM 0 HE21 GLN A 86 -7.303 0.480 5.225 1.00 31.30 H new ATOM 0 HE22 GLN A 86 -6.698 -1.098 4.710 1.00 31.30 H new