USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 464 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 71 LYS NZ :NH3+ 135:sc= -1.31! (180deg=-3.23!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= 0.0942 F(o=-0.95,f=0.094) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -46:sc= 1.1 USER MOD Single : A 18 MET CE :methyl 143:sc= -1.33 (180deg=-3.3!) USER MOD Single : A 36 MET CE :methyl -156:sc= -0.276 (180deg=-0.923) USER MOD Single : A 41 HIS : no HE2:sc= -9.66! C(o=-9.7!,f=-16!) USER MOD Single : A 43 SER OG : rot 180:sc= -4.86! USER MOD Single : A 48 SER OG : rot -60:sc= 1.24 USER MOD Single : A 53 MET CE :methyl -140:sc= -5.82! (180deg=-8.74!) USER MOD Single : A 54 SER OG : rot 180:sc= -2 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -115:sc= -0.442 (180deg=-2.65!) USER MOD Single : A 67 ASN : amide:sc= -3.51! C(o=-3.5!,f=-8.6!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -1.03 (180deg=-1.28) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0892 USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 11 2.266 10.378 2.277 1.00 0.00 N ATOM 23 CA LEU A 11 3.554 10.016 1.708 1.00 0.00 C ATOM 24 C LEU A 11 3.534 10.137 0.188 1.00 0.00 C ATOM 25 O LEU A 11 2.501 9.933 -0.448 1.00 0.00 O ATOM 26 CB LEU A 11 3.932 8.593 2.119 1.00 0.00 C ATOM 27 CG LEU A 11 3.617 8.238 3.575 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.315 7.455 3.663 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.763 7.447 4.192 1.00 0.00 C ATOM 0 HA LEU A 11 4.302 10.708 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.410 7.892 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.999 8.452 1.949 1.00 0.00 H new ATOM 0 HG LEU A 11 3.499 9.164 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.107 7.211 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.500 8.058 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.404 6.535 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.521 7.204 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.914 6.526 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.674 8.044 4.163 1.00 0.00 H new ATOM 41 N GLN A 12 4.682 10.480 -0.388 1.00 0.00 N ATOM 42 CA GLN A 12 4.797 10.642 -1.828 1.00 0.00 C ATOM 43 C GLN A 12 4.425 9.359 -2.565 1.00 0.00 C ATOM 44 O GLN A 12 4.748 8.256 -2.125 1.00 0.00 O ATOM 45 CB GLN A 12 6.220 11.063 -2.199 1.00 0.00 C ATOM 46 CG GLN A 12 6.269 12.266 -3.123 1.00 0.00 C ATOM 47 CD GLN A 12 6.082 11.890 -4.580 1.00 0.00 C ATOM 48 OE1 GLN A 12 4.835 11.903 -5.040 1.00 0.00 O flip ATOM 49 NE2 GLN A 12 7.045 11.591 -5.285 1.00 0.00 N flip ATOM 0 H GLN A 12 5.547 10.651 0.125 1.00 0.00 H new ATOM 0 HA GLN A 12 4.098 11.421 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.773 11.291 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.726 10.225 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.494 12.975 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.226 12.773 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.986 11.594 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.902 11.340 -6.263 1.00 0.00 H new ATOM 58 N ILE A 13 3.738 9.521 -3.691 1.00 0.00 N ATOM 59 CA ILE A 13 3.306 8.399 -4.505 1.00 0.00 C ATOM 60 C ILE A 13 4.482 7.690 -5.170 1.00 0.00 C ATOM 61 O ILE A 13 5.336 8.325 -5.788 1.00 0.00 O ATOM 62 CB ILE A 13 2.343 8.878 -5.601 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.187 9.663 -4.978 1.00 0.00 C ATOM 64 CG2 ILE A 13 1.830 7.708 -6.431 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.137 8.792 -4.326 1.00 0.00 C ATOM 0 H ILE A 13 3.468 10.432 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 13 2.806 7.697 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 13 2.887 9.541 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.587 10.351 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.714 10.269 -5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.150 8.077 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.671 7.201 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.301 7.008 -5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.649 9.421 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.293 8.121 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.594 8.205 -3.530 1.00 0.00 H new ATOM 77 N TYR A 14 4.498 6.369 -5.055 1.00 0.00 N ATOM 78 CA TYR A 14 5.542 5.554 -5.658 1.00 0.00 C ATOM 79 C TYR A 14 4.922 4.551 -6.623 1.00 0.00 C ATOM 80 O TYR A 14 3.776 4.138 -6.444 1.00 0.00 O ATOM 81 CB TYR A 14 6.341 4.817 -4.583 1.00 0.00 C ATOM 82 CG TYR A 14 6.995 5.726 -3.566 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.330 7.036 -3.882 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.281 5.266 -2.289 1.00 0.00 C ATOM 85 CE1 TYR A 14 7.931 7.863 -2.951 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.880 6.085 -1.353 1.00 0.00 C ATOM 87 CZ TYR A 14 8.204 7.382 -1.688 1.00 0.00 C ATOM 88 OH TYR A 14 8.802 8.201 -0.757 1.00 0.00 O ATOM 0 H TYR A 14 3.793 5.836 -4.545 1.00 0.00 H new ATOM 0 HA TYR A 14 6.221 6.209 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.678 4.126 -4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.112 4.217 -5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.118 7.415 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.031 4.250 -2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.185 8.880 -3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.094 5.711 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 14 8.924 7.709 0.082 1.00 0.00 H new ATOM 98 N PRO A 15 5.659 4.148 -7.668 1.00 0.00 N ATOM 99 CA PRO A 15 5.156 3.195 -8.662 1.00 0.00 C ATOM 100 C PRO A 15 5.087 1.762 -8.140 1.00 0.00 C ATOM 101 O PRO A 15 5.572 0.839 -8.789 1.00 0.00 O ATOM 102 CB PRO A 15 6.172 3.304 -9.798 1.00 0.00 C ATOM 103 CG PRO A 15 7.437 3.721 -9.130 1.00 0.00 C ATOM 104 CD PRO A 15 7.032 4.596 -7.974 1.00 0.00 C ATOM 0 HA PRO A 15 4.132 3.426 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.292 2.352 -10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.857 4.035 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.999 2.853 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.082 4.263 -9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.697 4.466 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.059 5.652 -8.241 1.00 0.00 H new ATOM 112 N TYR A 16 4.458 1.585 -6.979 1.00 0.00 N ATOM 113 CA TYR A 16 4.298 0.255 -6.377 1.00 0.00 C ATOM 114 C TYR A 16 5.631 -0.461 -6.190 1.00 0.00 C ATOM 115 O TYR A 16 6.119 -0.625 -5.071 1.00 0.00 O ATOM 116 CB TYR A 16 3.365 -0.593 -7.249 1.00 0.00 C ATOM 117 CG TYR A 16 2.947 -1.919 -6.638 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.210 -1.967 -5.459 1.00 0.00 C ATOM 119 CD2 TYR A 16 3.263 -3.121 -7.261 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.806 -3.174 -4.918 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.856 -4.330 -6.729 1.00 0.00 C ATOM 122 CZ TYR A 16 2.128 -4.351 -5.559 1.00 0.00 C ATOM 123 OH TYR A 16 1.721 -5.552 -5.030 1.00 0.00 O ATOM 0 H TYR A 16 4.050 2.344 -6.434 1.00 0.00 H new ATOM 0 HA TYR A 16 3.864 0.391 -5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.469 -0.012 -7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.859 -0.788 -8.201 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.949 -1.047 -4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.836 -3.110 -8.176 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.241 -3.194 -3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.107 -5.254 -7.228 1.00 0.00 H new ATOM 0 HH TYR A 16 1.909 -5.566 -4.068 1.00 0.00 H new ATOM 133 N GLU A 17 6.198 -0.892 -7.299 1.00 0.00 N ATOM 134 CA GLU A 17 7.468 -1.610 -7.313 1.00 0.00 C ATOM 135 C GLU A 17 8.530 -0.896 -6.484 1.00 0.00 C ATOM 136 O GLU A 17 9.476 -1.519 -6.001 1.00 0.00 O ATOM 137 CB GLU A 17 7.962 -1.782 -8.752 1.00 0.00 C ATOM 138 CG GLU A 17 8.357 -0.475 -9.423 1.00 0.00 C ATOM 139 CD GLU A 17 8.195 -0.523 -10.929 1.00 0.00 C ATOM 140 OE1 GLU A 17 8.605 -1.533 -11.539 1.00 0.00 O ATOM 141 OE2 GLU A 17 7.661 0.452 -11.500 1.00 0.00 O ATOM 0 H GLU A 17 5.792 -0.756 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 17 7.296 -2.589 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.819 -2.455 -8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.179 -2.260 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.748 0.335 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.394 -0.244 -9.180 1.00 0.00 H new ATOM 148 N MET A 18 8.366 0.409 -6.315 1.00 0.00 N ATOM 149 CA MET A 18 9.311 1.196 -5.537 1.00 0.00 C ATOM 150 C MET A 18 9.323 0.719 -4.090 1.00 0.00 C ATOM 151 O MET A 18 10.309 0.884 -3.371 1.00 0.00 O ATOM 152 CB MET A 18 8.951 2.682 -5.602 1.00 0.00 C ATOM 153 CG MET A 18 9.990 3.527 -6.321 1.00 0.00 C ATOM 154 SD MET A 18 11.503 3.733 -5.362 1.00 0.00 S ATOM 155 CE MET A 18 12.463 2.336 -5.940 1.00 0.00 C ATOM 0 H MET A 18 7.590 0.943 -6.705 1.00 0.00 H new ATOM 0 HA MET A 18 10.307 1.063 -5.960 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.991 2.793 -6.107 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.824 3.062 -4.588 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.231 3.063 -7.277 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.567 4.507 -6.540 1.00 0.00 H new ATOM 0 HE1 MET A 18 13.513 2.621 -6.013 1.00 0.00 H new ATOM 0 HE2 MET A 18 12.359 1.508 -5.238 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.102 2.027 -6.921 1.00 0.00 H new ATOM 165 N LEU A 19 8.213 0.121 -3.680 1.00 0.00 N ATOM 166 CA LEU A 19 8.055 -0.399 -2.333 1.00 0.00 C ATOM 167 C LEU A 19 8.079 -1.920 -2.354 1.00 0.00 C ATOM 168 O LEU A 19 8.805 -2.562 -1.595 1.00 0.00 O ATOM 169 CB LEU A 19 6.724 0.072 -1.765 1.00 0.00 C ATOM 170 CG LEU A 19 6.443 1.563 -1.923 1.00 0.00 C ATOM 171 CD1 LEU A 19 5.030 1.780 -2.439 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.656 2.287 -0.602 1.00 0.00 C ATOM 0 H LEU A 19 7.396 -0.016 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 19 8.874 -0.036 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.922 -0.486 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.691 -0.178 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 19 7.141 1.976 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.842 2.848 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.917 1.292 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.316 1.356 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.451 3.350 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.982 1.877 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.688 2.154 -0.276 1.00 0.00 H new ATOM 380 N GLY A 32 10.888 6.945 4.297 1.00 0.00 N ATOM 381 CA GLY A 32 9.641 7.497 4.795 1.00 0.00 C ATOM 382 C GLY A 32 8.435 6.735 4.283 1.00 0.00 C ATOM 383 O GLY A 32 7.595 7.290 3.574 1.00 0.00 O ATOM 0 HA2 GLY A 32 9.646 7.477 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.563 8.542 4.496 1.00 0.00 H new ATOM 387 N VAL A 33 8.356 5.456 4.636 1.00 0.00 N ATOM 388 CA VAL A 33 7.269 4.605 4.215 1.00 0.00 C ATOM 389 C VAL A 33 6.514 4.045 5.399 1.00 0.00 C ATOM 390 O VAL A 33 7.057 3.884 6.491 1.00 0.00 O ATOM 391 CB VAL A 33 7.768 3.467 3.321 1.00 0.00 C ATOM 392 CG1 VAL A 33 6.667 2.459 3.038 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.328 4.036 2.033 1.00 0.00 C ATOM 0 H VAL A 33 9.048 4.988 5.222 1.00 0.00 H new ATOM 0 HA VAL A 33 6.584 5.224 3.635 1.00 0.00 H new ATOM 0 HB VAL A 33 8.561 2.937 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.056 1.665 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.315 2.031 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.839 2.957 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.682 3.223 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.548 4.590 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.157 4.705 2.261 1.00 0.00 H new ATOM 403 N ASP A 34 5.244 3.778 5.168 1.00 0.00 N ATOM 404 CA ASP A 34 4.372 3.266 6.195 1.00 0.00 C ATOM 405 C ASP A 34 4.056 1.792 5.972 1.00 0.00 C ATOM 406 O ASP A 34 3.170 1.449 5.190 1.00 0.00 O ATOM 407 CB ASP A 34 3.093 4.091 6.190 1.00 0.00 C ATOM 408 CG ASP A 34 2.632 4.463 7.586 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.186 3.561 8.325 1.00 0.00 O ATOM 410 OD2 ASP A 34 2.717 5.658 7.941 1.00 0.00 O ATOM 0 H ASP A 34 4.792 3.911 4.263 1.00 0.00 H new ATOM 0 HA ASP A 34 4.869 3.344 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.254 5.000 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.305 3.529 5.689 1.00 0.00 H new ATOM 415 N ARG A 35 4.781 0.925 6.669 1.00 0.00 N ATOM 416 CA ARG A 35 4.574 -0.516 6.552 1.00 0.00 C ATOM 417 C ARG A 35 3.093 -0.869 6.697 1.00 0.00 C ATOM 418 O ARG A 35 2.562 -1.683 5.943 1.00 0.00 O ATOM 419 CB ARG A 35 5.396 -1.257 7.611 1.00 0.00 C ATOM 420 CG ARG A 35 6.260 -2.370 7.039 1.00 0.00 C ATOM 421 CD ARG A 35 6.685 -3.357 8.115 1.00 0.00 C ATOM 422 NE ARG A 35 8.101 -3.228 8.448 1.00 0.00 N ATOM 423 CZ ARG A 35 8.657 -3.752 9.538 1.00 0.00 C ATOM 424 NH1 ARG A 35 7.921 -4.438 10.403 1.00 0.00 N ATOM 425 NH2 ARG A 35 9.954 -3.588 9.765 1.00 0.00 N ATOM 0 H ARG A 35 5.518 1.193 7.321 1.00 0.00 H new ATOM 0 HA ARG A 35 4.906 -0.827 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.035 -0.542 8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.720 -1.678 8.355 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.708 -2.896 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.144 -1.940 6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.086 -3.196 9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.484 -4.373 7.775 1.00 0.00 H new ATOM 0 HE ARG A 35 8.699 -2.706 7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.923 -4.566 10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.353 -4.837 11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.525 -3.060 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.380 -3.989 10.600 1.00 0.00 H new ATOM 439 N MET A 36 2.437 -0.248 7.673 1.00 0.00 N ATOM 440 CA MET A 36 1.026 -0.489 7.922 1.00 0.00 C ATOM 441 C MET A 36 0.142 0.466 7.119 1.00 0.00 C ATOM 442 O MET A 36 -1.070 0.526 7.329 1.00 0.00 O ATOM 443 CB MET A 36 0.724 -0.342 9.413 1.00 0.00 C ATOM 444 CG MET A 36 1.416 -1.382 10.280 1.00 0.00 C ATOM 445 SD MET A 36 2.149 -0.672 11.767 1.00 0.00 S ATOM 446 CE MET A 36 3.337 0.461 11.051 1.00 0.00 C ATOM 0 H MET A 36 2.866 0.428 8.305 1.00 0.00 H new ATOM 0 HA MET A 36 0.802 -1.506 7.602 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.028 0.652 9.740 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.353 -0.412 9.566 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.696 -2.149 10.565 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.193 -1.876 9.697 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.136 0.651 11.768 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.758 0.023 10.146 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.841 1.399 10.803 1.00 0.00 H new ATOM 456 N ARG A 37 0.752 1.212 6.203 1.00 0.00 N ATOM 457 CA ARG A 37 0.020 2.161 5.374 1.00 0.00 C ATOM 458 C ARG A 37 0.751 2.379 4.052 1.00 0.00 C ATOM 459 O ARG A 37 1.045 3.510 3.664 1.00 0.00 O ATOM 460 CB ARG A 37 -0.154 3.490 6.117 1.00 0.00 C ATOM 461 CG ARG A 37 -1.606 3.908 6.283 1.00 0.00 C ATOM 462 CD ARG A 37 -2.304 3.086 7.355 1.00 0.00 C ATOM 463 NE ARG A 37 -3.352 3.846 8.032 1.00 0.00 N ATOM 464 CZ ARG A 37 -3.864 3.511 9.214 1.00 0.00 C ATOM 465 NH1 ARG A 37 -3.429 2.432 9.852 1.00 0.00 N ATOM 466 NH2 ARG A 37 -4.815 4.257 9.759 1.00 0.00 N ATOM 0 H ARG A 37 1.754 1.177 6.017 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.968 1.753 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.307 3.410 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.381 4.271 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.654 4.965 6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.130 3.791 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.738 2.194 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.571 2.748 8.087 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.712 4.682 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.698 1.854 9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.825 2.181 10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.154 5.087 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.208 4.001 10.665 1.00 0.00 H new ATOM 480 N LEU A 38 1.050 1.278 3.372 1.00 0.00 N ATOM 481 CA LEU A 38 1.755 1.323 2.102 1.00 0.00 C ATOM 482 C LEU A 38 0.865 1.870 0.994 1.00 0.00 C ATOM 483 O LEU A 38 1.341 2.471 0.031 1.00 0.00 O ATOM 484 CB LEU A 38 2.222 -0.088 1.734 1.00 0.00 C ATOM 485 CG LEU A 38 3.725 -0.365 1.854 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.540 0.834 1.406 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.080 -0.750 3.281 1.00 0.00 C ATOM 0 H LEU A 38 0.811 0.337 3.685 1.00 0.00 H new ATOM 0 HA LEU A 38 2.612 1.988 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.693 -0.799 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.919 -0.290 0.707 1.00 0.00 H new ATOM 0 HG LEU A 38 3.969 -1.200 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.602 0.608 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.310 1.062 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.294 1.694 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.150 -0.944 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.814 0.065 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.530 -1.648 3.563 1.00 0.00 H new ATOM 499 N GLU A 39 -0.425 1.640 1.141 1.00 0.00 N ATOM 500 CA GLU A 39 -1.410 2.087 0.159 1.00 0.00 C ATOM 501 C GLU A 39 -1.279 3.582 -0.111 1.00 0.00 C ATOM 502 O GLU A 39 -1.620 4.058 -1.194 1.00 0.00 O ATOM 503 CB GLU A 39 -2.828 1.763 0.637 1.00 0.00 C ATOM 504 CG GLU A 39 -3.291 2.614 1.808 1.00 0.00 C ATOM 505 CD GLU A 39 -3.838 3.959 1.373 1.00 0.00 C ATOM 506 OE1 GLU A 39 -4.144 4.115 0.172 1.00 0.00 O ATOM 507 OE2 GLU A 39 -3.962 4.856 2.233 1.00 0.00 O ATOM 0 H GLU A 39 -0.824 1.142 1.937 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.219 1.553 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.521 1.897 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.873 0.712 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.060 2.075 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.456 2.770 2.491 1.00 0.00 H new ATOM 514 N ARG A 40 -0.784 4.316 0.878 1.00 0.00 N ATOM 515 CA ARG A 40 -0.608 5.754 0.745 1.00 0.00 C ATOM 516 C ARG A 40 0.508 6.093 -0.240 1.00 0.00 C ATOM 517 O ARG A 40 0.717 7.259 -0.577 1.00 0.00 O ATOM 518 CB ARG A 40 -0.319 6.387 2.106 1.00 0.00 C ATOM 519 CG ARG A 40 -1.569 6.848 2.840 1.00 0.00 C ATOM 520 CD ARG A 40 -1.810 6.041 4.108 1.00 0.00 C ATOM 521 NE ARG A 40 -1.924 6.897 5.287 1.00 0.00 N ATOM 522 CZ ARG A 40 -2.906 7.777 5.473 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.860 7.920 4.562 1.00 0.00 N ATOM 524 NH2 ARG A 40 -2.933 8.515 6.574 1.00 0.00 N ATOM 0 H ARG A 40 -0.498 3.937 1.781 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.539 6.164 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.212 5.666 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.346 7.239 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.473 7.904 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.432 6.756 2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.722 5.454 3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.992 5.335 4.250 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.209 6.816 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.844 7.354 3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.610 8.596 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.202 8.408 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.685 9.189 6.718 1.00 0.00 H new ATOM 538 N HIS A 41 1.219 5.071 -0.702 1.00 0.00 N ATOM 539 CA HIS A 41 2.309 5.262 -1.651 1.00 0.00 C ATOM 540 C HIS A 41 1.857 4.928 -3.067 1.00 0.00 C ATOM 541 O HIS A 41 2.283 5.560 -4.032 1.00 0.00 O ATOM 542 CB HIS A 41 3.500 4.383 -1.273 1.00 0.00 C ATOM 543 CG HIS A 41 4.216 4.829 -0.038 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.183 5.809 -0.037 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.103 4.416 1.244 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.633 5.977 1.194 1.00 0.00 C ATOM 547 NE2 HIS A 41 4.990 5.147 1.992 1.00 0.00 N ATOM 0 H HIS A 41 1.060 4.100 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 41 2.609 6.309 -1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.153 3.360 -1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.205 4.367 -2.104 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.502 6.324 -0.857 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.436 3.650 1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.399 6.676 1.496 1.00 0.00 H new ATOM 556 N LEU A 42 0.988 3.929 -3.188 1.00 0.00 N ATOM 557 CA LEU A 42 0.478 3.510 -4.473 1.00 0.00 C ATOM 558 C LEU A 42 -0.187 4.660 -5.200 1.00 0.00 C ATOM 559 O LEU A 42 -0.993 5.393 -4.626 1.00 0.00 O ATOM 560 CB LEU A 42 -0.545 2.399 -4.273 1.00 0.00 C ATOM 561 CG LEU A 42 -0.050 0.974 -4.507 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.236 0.080 -4.808 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.951 0.922 -5.655 1.00 0.00 C ATOM 0 H LEU A 42 0.624 3.395 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 42 1.317 3.155 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.928 2.465 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.386 2.583 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 42 0.457 0.625 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.890 -0.940 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.926 0.094 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.747 0.441 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.286 -0.105 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.476 1.280 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.807 1.554 -5.420 1.00 0.00 H new ATOM 575 N SER A 43 0.120 4.784 -6.481 1.00 0.00 N ATOM 576 CA SER A 43 -0.491 5.813 -7.291 1.00 0.00 C ATOM 577 C SER A 43 -1.928 5.430 -7.559 1.00 0.00 C ATOM 578 O SER A 43 -2.311 4.269 -7.408 1.00 0.00 O ATOM 579 CB SER A 43 0.244 5.997 -8.608 1.00 0.00 C ATOM 580 OG SER A 43 0.678 7.336 -8.775 1.00 0.00 O ATOM 0 H SER A 43 0.784 4.188 -6.975 1.00 0.00 H new ATOM 0 HA SER A 43 -0.441 6.758 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.103 5.327 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.411 5.719 -9.434 1.00 0.00 H new ATOM 0 HG SER A 43 1.149 7.423 -9.630 1.00 0.00 H new ATOM 586 N ALA A 44 -2.718 6.397 -7.958 1.00 0.00 N ATOM 587 CA ALA A 44 -4.117 6.144 -8.249 1.00 0.00 C ATOM 588 C ALA A 44 -4.251 5.100 -9.345 1.00 0.00 C ATOM 589 O ALA A 44 -5.188 4.301 -9.353 1.00 0.00 O ATOM 590 CB ALA A 44 -4.815 7.428 -8.655 1.00 0.00 C ATOM 0 H ALA A 44 -2.422 7.364 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.593 5.762 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.863 7.220 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.748 8.151 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.336 7.836 -9.545 1.00 0.00 H new ATOM 596 N GLU A 45 -3.293 5.109 -10.261 1.00 0.00 N ATOM 597 CA GLU A 45 -3.275 4.173 -11.353 1.00 0.00 C ATOM 598 C GLU A 45 -2.878 2.795 -10.852 1.00 0.00 C ATOM 599 O GLU A 45 -3.160 1.787 -11.499 1.00 0.00 O ATOM 600 CB GLU A 45 -2.304 4.638 -12.441 1.00 0.00 C ATOM 601 CG GLU A 45 -2.725 5.930 -13.120 1.00 0.00 C ATOM 602 CD GLU A 45 -2.324 7.162 -12.332 1.00 0.00 C ATOM 603 OE1 GLU A 45 -1.197 7.659 -12.539 1.00 0.00 O ATOM 604 OE2 GLU A 45 -3.137 7.630 -11.507 1.00 0.00 O ATOM 0 H GLU A 45 -2.513 5.767 -10.260 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.276 4.119 -11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.316 4.774 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.213 3.855 -13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.277 5.977 -14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.806 5.928 -13.258 1.00 0.00 H new ATOM 611 N ASP A 46 -2.218 2.753 -9.693 1.00 0.00 N ATOM 612 CA ASP A 46 -1.795 1.495 -9.129 1.00 0.00 C ATOM 613 C ASP A 46 -2.812 0.960 -8.145 1.00 0.00 C ATOM 614 O ASP A 46 -3.140 -0.218 -8.185 1.00 0.00 O ATOM 615 CB ASP A 46 -0.433 1.601 -8.447 1.00 0.00 C ATOM 616 CG ASP A 46 0.702 1.779 -9.438 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.559 2.610 -10.360 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.731 1.088 -9.292 1.00 0.00 O ATOM 0 H ASP A 46 -1.972 3.574 -9.140 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.708 0.800 -9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.442 2.443 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.256 0.703 -7.855 1.00 0.00 H new ATOM 623 N PHE A 47 -3.321 1.812 -7.261 1.00 0.00 N ATOM 624 CA PHE A 47 -4.306 1.352 -6.298 1.00 0.00 C ATOM 625 C PHE A 47 -5.495 0.765 -7.027 1.00 0.00 C ATOM 626 O PHE A 47 -5.893 -0.378 -6.804 1.00 0.00 O ATOM 627 CB PHE A 47 -4.766 2.489 -5.390 1.00 0.00 C ATOM 628 CG PHE A 47 -5.852 2.059 -4.455 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.168 1.998 -4.884 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.553 1.690 -3.157 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.166 1.582 -4.032 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.546 1.269 -2.301 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.857 1.215 -2.738 1.00 0.00 C ATOM 0 H PHE A 47 -3.074 2.799 -7.193 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.842 0.588 -5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.917 2.858 -4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.122 3.319 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.413 2.280 -5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.531 1.732 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.189 1.543 -4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.301 0.981 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.638 0.886 -2.068 1.00 0.00 H new ATOM 643 N SER A 48 -6.043 1.575 -7.897 1.00 0.00 N ATOM 644 CA SER A 48 -7.196 1.191 -8.696 1.00 0.00 C ATOM 645 C SER A 48 -6.937 -0.089 -9.476 1.00 0.00 C ATOM 646 O SER A 48 -7.856 -0.859 -9.750 1.00 0.00 O ATOM 647 CB SER A 48 -7.587 2.320 -9.652 1.00 0.00 C ATOM 648 OG SER A 48 -8.358 3.306 -8.989 1.00 0.00 O ATOM 0 H SER A 48 -5.708 2.521 -8.077 1.00 0.00 H new ATOM 0 HA SER A 48 -8.022 1.004 -8.010 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.689 2.776 -10.068 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.154 1.912 -10.489 1.00 0.00 H new ATOM 0 HG SER A 48 -9.179 2.900 -8.640 1.00 0.00 H new ATOM 654 N ARG A 49 -5.684 -0.309 -9.827 1.00 0.00 N ATOM 655 CA ARG A 49 -5.299 -1.492 -10.571 1.00 0.00 C ATOM 656 C ARG A 49 -4.831 -2.605 -9.642 1.00 0.00 C ATOM 657 O ARG A 49 -4.773 -3.774 -10.024 1.00 0.00 O ATOM 658 CB ARG A 49 -4.197 -1.156 -11.575 1.00 0.00 C ATOM 659 CG ARG A 49 -4.719 -0.721 -12.933 1.00 0.00 C ATOM 660 CD ARG A 49 -3.668 -0.899 -14.018 1.00 0.00 C ATOM 661 NE ARG A 49 -3.085 0.376 -14.429 1.00 0.00 N ATOM 662 CZ ARG A 49 -3.663 1.215 -15.285 1.00 0.00 C ATOM 663 NH1 ARG A 49 -4.840 0.919 -15.823 1.00 0.00 N ATOM 664 NH2 ARG A 49 -3.063 2.355 -15.604 1.00 0.00 N ATOM 0 H ARG A 49 -4.912 0.320 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.179 -1.844 -11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.573 -0.362 -11.164 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.557 -2.029 -11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.606 -1.302 -13.186 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.024 0.324 -12.889 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.879 -1.558 -13.654 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.118 -1.387 -14.882 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.181 0.639 -14.036 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.306 0.045 -15.581 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.278 1.566 -16.479 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.159 2.588 -15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.506 2.998 -16.260 1.00 0.00 H new ATOM 678 N VAL A 50 -4.472 -2.216 -8.434 1.00 0.00 N ATOM 679 CA VAL A 50 -3.973 -3.136 -7.435 1.00 0.00 C ATOM 680 C VAL A 50 -5.096 -3.760 -6.615 1.00 0.00 C ATOM 681 O VAL A 50 -5.105 -4.969 -6.383 1.00 0.00 O ATOM 682 CB VAL A 50 -2.981 -2.413 -6.502 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.806 -3.119 -5.169 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.643 -2.284 -7.195 1.00 0.00 C ATOM 0 H VAL A 50 -4.519 -1.247 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.464 -3.944 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.395 -1.428 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.097 -2.565 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.767 -3.172 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.429 -4.128 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.940 -1.773 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.260 -3.276 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.763 -1.710 -8.114 1.00 0.00 H new ATOM 694 N PHE A 51 -6.028 -2.933 -6.159 1.00 0.00 N ATOM 695 CA PHE A 51 -7.127 -3.419 -5.349 1.00 0.00 C ATOM 696 C PHE A 51 -8.452 -3.351 -6.103 1.00 0.00 C ATOM 697 O PHE A 51 -9.501 -3.693 -5.561 1.00 0.00 O ATOM 698 CB PHE A 51 -7.219 -2.606 -4.058 1.00 0.00 C ATOM 699 CG PHE A 51 -5.908 -2.486 -3.335 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.446 -3.526 -2.547 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.138 -1.337 -3.445 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.241 -3.424 -1.880 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.932 -1.229 -2.777 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.484 -2.275 -1.992 1.00 0.00 C ATOM 0 H PHE A 51 -6.042 -1.929 -6.337 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.932 -4.464 -5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.590 -1.608 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.950 -3.071 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.034 -4.427 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.484 -0.518 -4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.891 -4.244 -1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.341 -0.329 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.544 -2.193 -1.467 1.00 0.00 H new ATOM 714 N ALA A 52 -8.400 -2.916 -7.359 1.00 0.00 N ATOM 715 CA ALA A 52 -9.594 -2.815 -8.177 1.00 0.00 C ATOM 716 C ALA A 52 -10.645 -1.938 -7.509 1.00 0.00 C ATOM 717 O ALA A 52 -11.829 -2.274 -7.481 1.00 0.00 O ATOM 718 CB ALA A 52 -10.120 -4.204 -8.444 1.00 0.00 C ATOM 0 H ALA A 52 -7.541 -2.629 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.346 -2.339 -9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.018 -4.141 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.362 -4.786 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.361 -4.690 -7.498 1.00 0.00 H new ATOM 724 N MET A 53 -10.194 -0.809 -6.974 1.00 0.00 N ATOM 725 CA MET A 53 -11.071 0.134 -6.303 1.00 0.00 C ATOM 726 C MET A 53 -10.644 1.560 -6.613 1.00 0.00 C ATOM 727 O MET A 53 -9.789 1.793 -7.464 1.00 0.00 O ATOM 728 CB MET A 53 -11.036 -0.094 -4.789 1.00 0.00 C ATOM 729 CG MET A 53 -12.309 -0.695 -4.221 1.00 0.00 C ATOM 730 SD MET A 53 -12.022 -1.582 -2.677 1.00 0.00 S ATOM 731 CE MET A 53 -10.713 -2.703 -3.164 1.00 0.00 C ATOM 0 H MET A 53 -9.214 -0.526 -6.995 1.00 0.00 H new ATOM 0 HA MET A 53 -12.087 -0.022 -6.664 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.200 -0.751 -4.551 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.844 0.858 -4.294 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.037 0.098 -4.051 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.744 -1.376 -4.953 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.882 -3.679 -2.710 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.706 -2.804 -4.249 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.753 -2.309 -2.830 1.00 0.00 H new ATOM 741 N SER A 54 -11.223 2.511 -5.900 1.00 0.00 N ATOM 742 CA SER A 54 -10.878 3.902 -6.077 1.00 0.00 C ATOM 743 C SER A 54 -10.010 4.347 -4.912 1.00 0.00 C ATOM 744 O SER A 54 -10.365 4.138 -3.756 1.00 0.00 O ATOM 745 CB SER A 54 -12.135 4.766 -6.172 1.00 0.00 C ATOM 746 OG SER A 54 -13.132 4.322 -5.268 1.00 0.00 O ATOM 0 H SER A 54 -11.936 2.339 -5.192 1.00 0.00 H new ATOM 0 HA SER A 54 -10.326 4.020 -7.009 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.883 5.804 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.524 4.736 -7.190 1.00 0.00 H new ATOM 0 HG SER A 54 -13.924 4.893 -5.348 1.00 0.00 H new ATOM 752 N PRO A 55 -8.849 4.954 -5.191 1.00 0.00 N ATOM 753 CA PRO A 55 -7.932 5.420 -4.157 1.00 0.00 C ATOM 754 C PRO A 55 -8.680 5.976 -2.949 1.00 0.00 C ATOM 755 O PRO A 55 -8.295 5.777 -1.794 1.00 0.00 O ATOM 756 CB PRO A 55 -7.130 6.524 -4.868 1.00 0.00 C ATOM 757 CG PRO A 55 -7.625 6.547 -6.288 1.00 0.00 C ATOM 758 CD PRO A 55 -8.321 5.244 -6.519 1.00 0.00 C ATOM 0 HA PRO A 55 -7.306 4.621 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.283 7.489 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.061 6.315 -4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.306 7.383 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.797 6.673 -6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.111 5.328 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.637 4.470 -6.866 1.00 0.00 H new ATOM 766 N GLU A 56 -9.762 6.664 -3.248 1.00 0.00 N ATOM 767 CA GLU A 56 -10.609 7.262 -2.253 1.00 0.00 C ATOM 768 C GLU A 56 -11.377 6.214 -1.473 1.00 0.00 C ATOM 769 O GLU A 56 -11.499 6.304 -0.252 1.00 0.00 O ATOM 770 CB GLU A 56 -11.592 8.207 -2.924 1.00 0.00 C ATOM 771 CG GLU A 56 -12.229 7.655 -4.188 1.00 0.00 C ATOM 772 CD GLU A 56 -11.582 8.190 -5.451 1.00 0.00 C ATOM 773 OE1 GLU A 56 -10.541 7.638 -5.864 1.00 0.00 O ATOM 774 OE2 GLU A 56 -12.117 9.161 -6.026 1.00 0.00 O ATOM 0 H GLU A 56 -10.077 6.822 -4.205 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.974 7.809 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.380 8.457 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.076 9.136 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.158 6.567 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.290 7.905 -4.194 1.00 0.00 H new ATOM 781 N GLU A 57 -11.895 5.216 -2.182 1.00 0.00 N ATOM 782 CA GLU A 57 -12.643 4.151 -1.556 1.00 0.00 C ATOM 783 C GLU A 57 -11.893 3.676 -0.334 1.00 0.00 C ATOM 784 O GLU A 57 -12.461 3.469 0.738 1.00 0.00 O ATOM 785 CB GLU A 57 -12.860 3.010 -2.545 1.00 0.00 C ATOM 786 CG GLU A 57 -14.239 3.008 -3.183 1.00 0.00 C ATOM 787 CD GLU A 57 -15.267 2.271 -2.349 1.00 0.00 C ATOM 788 OE1 GLU A 57 -15.299 2.486 -1.119 1.00 0.00 O ATOM 789 OE2 GLU A 57 -16.042 1.478 -2.925 1.00 0.00 O ATOM 0 H GLU A 57 -11.805 5.130 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.623 4.516 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.106 3.073 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.706 2.061 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.568 4.037 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.178 2.547 -4.169 1.00 0.00 H new ATOM 796 N PHE A 58 -10.602 3.556 -0.517 1.00 0.00 N ATOM 797 CA PHE A 58 -9.703 3.153 0.544 1.00 0.00 C ATOM 798 C PHE A 58 -9.681 4.215 1.632 1.00 0.00 C ATOM 799 O PHE A 58 -9.735 3.903 2.821 1.00 0.00 O ATOM 800 CB PHE A 58 -8.290 2.930 0.008 1.00 0.00 C ATOM 801 CG PHE A 58 -7.688 1.630 0.454 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.353 0.440 0.230 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.464 1.597 1.096 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.811 -0.759 0.636 1.00 0.00 C ATOM 805 CE2 PHE A 58 -5.916 0.400 1.505 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.592 -0.775 1.275 1.00 0.00 C ATOM 0 H PHE A 58 -10.140 3.735 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.064 2.213 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.313 2.958 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.651 3.750 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.310 0.450 -0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.932 2.519 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.340 -1.683 0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.959 0.385 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.165 -1.713 1.597 1.00 0.00 H new ATOM 816 N GLY A 59 -9.615 5.479 1.214 1.00 0.00 N ATOM 817 CA GLY A 59 -9.604 6.564 2.173 1.00 0.00 C ATOM 818 C GLY A 59 -10.853 6.584 3.036 1.00 0.00 C ATOM 819 O GLY A 59 -10.887 7.251 4.070 1.00 0.00 O ATOM 0 H GLY A 59 -9.569 5.765 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.725 6.472 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.516 7.513 1.644 1.00 0.00 H new ATOM 823 N LYS A 60 -11.889 5.859 2.609 1.00 0.00 N ATOM 824 CA LYS A 60 -13.136 5.808 3.340 1.00 0.00 C ATOM 825 C LYS A 60 -13.371 4.447 3.988 1.00 0.00 C ATOM 826 O LYS A 60 -14.107 4.335 4.968 1.00 0.00 O ATOM 827 CB LYS A 60 -14.308 6.164 2.423 1.00 0.00 C ATOM 828 CG LYS A 60 -14.129 7.484 1.693 1.00 0.00 C ATOM 829 CD LYS A 60 -14.356 8.670 2.618 1.00 0.00 C ATOM 830 CE LYS A 60 -13.047 9.346 2.993 1.00 0.00 C ATOM 831 NZ LYS A 60 -13.022 9.751 4.426 1.00 0.00 N ATOM 0 H LYS A 60 -11.879 5.300 1.756 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.068 6.544 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.440 5.368 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.222 6.207 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.124 7.536 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.826 7.535 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.012 9.391 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.865 8.335 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.218 8.668 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.899 10.224 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.113 10.208 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.798 10.418 4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.138 8.910 5.027 1.00 0.00 H new ATOM 845 N LEU A 61 -12.748 3.418 3.436 1.00 0.00 N ATOM 846 CA LEU A 61 -12.890 2.064 3.956 1.00 0.00 C ATOM 847 C LEU A 61 -12.521 1.996 5.435 1.00 0.00 C ATOM 848 O LEU A 61 -12.315 3.024 6.084 1.00 0.00 O ATOM 849 CB LEU A 61 -12.012 1.102 3.159 1.00 0.00 C ATOM 850 CG LEU A 61 -12.591 0.656 1.817 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.509 0.014 0.968 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.751 -0.304 2.026 1.00 0.00 C ATOM 0 H LEU A 61 -12.136 3.494 2.624 1.00 0.00 H new ATOM 0 HA LEU A 61 -13.935 1.773 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.048 1.578 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.824 0.218 3.768 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.969 1.533 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.933 -0.300 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.710 0.734 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.105 -0.854 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.149 -0.610 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.403 -1.183 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.534 0.191 2.601 1.00 0.00 H new ATOM 864 N ALA A 62 -12.430 0.779 5.958 1.00 0.00 N ATOM 865 CA ALA A 62 -12.078 0.565 7.353 1.00 0.00 C ATOM 866 C ALA A 62 -10.625 0.135 7.471 1.00 0.00 C ATOM 867 O ALA A 62 -9.884 0.169 6.491 1.00 0.00 O ATOM 868 CB ALA A 62 -12.989 -0.487 7.970 1.00 0.00 C ATOM 0 H ALA A 62 -12.597 -0.079 5.431 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.209 1.503 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.715 -0.638 9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.024 -0.151 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.881 -1.426 7.427 1.00 0.00 H new ATOM 874 N LEU A 63 -10.225 -0.279 8.664 1.00 0.00 N ATOM 875 CA LEU A 63 -8.859 -0.731 8.885 1.00 0.00 C ATOM 876 C LEU A 63 -8.746 -2.224 8.615 1.00 0.00 C ATOM 877 O LEU A 63 -7.671 -2.739 8.299 1.00 0.00 O ATOM 878 CB LEU A 63 -8.407 -0.414 10.313 1.00 0.00 C ATOM 879 CG LEU A 63 -7.166 0.474 10.417 1.00 0.00 C ATOM 880 CD1 LEU A 63 -5.994 -0.160 9.685 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.456 1.861 9.862 1.00 0.00 C ATOM 0 H LEU A 63 -10.823 -0.312 9.490 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.206 -0.199 8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.229 0.073 10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.208 -1.352 10.832 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.900 0.573 11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.120 0.486 9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.772 -1.131 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.249 -0.289 8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.562 2.480 9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.747 1.780 8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.267 2.318 10.430 1.00 0.00 H new ATOM 893 N TRP A 64 -9.870 -2.904 8.739 1.00 0.00 N ATOM 894 CA TRP A 64 -9.938 -4.326 8.520 1.00 0.00 C ATOM 895 C TRP A 64 -10.035 -4.642 7.034 1.00 0.00 C ATOM 896 O TRP A 64 -9.207 -5.376 6.494 1.00 0.00 O ATOM 897 CB TRP A 64 -11.128 -4.920 9.277 1.00 0.00 C ATOM 898 CG TRP A 64 -12.421 -4.199 9.031 1.00 0.00 C ATOM 899 CD1 TRP A 64 -12.865 -3.058 9.638 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.443 -4.580 8.110 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.101 -2.715 9.141 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.476 -3.635 8.211 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.580 -5.630 7.213 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.634 -3.712 7.447 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.730 -5.710 6.450 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.745 -4.753 6.575 1.00 0.00 C ATOM 0 H TRP A 64 -10.761 -2.479 8.995 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.022 -4.778 8.900 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.245 -5.965 8.990 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.912 -4.905 10.345 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.326 -2.508 10.395 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -14.648 -1.902 9.424 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.802 -6.372 7.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.417 -2.974 7.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.847 -6.522 5.748 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.634 -4.842 5.968 1.00 0.00 H new ATOM 917 N LYS A 65 -11.037 -4.075 6.368 1.00 0.00 N ATOM 918 CA LYS A 65 -11.208 -4.300 4.944 1.00 0.00 C ATOM 919 C LYS A 65 -9.961 -3.843 4.204 1.00 0.00 C ATOM 920 O LYS A 65 -9.524 -4.475 3.245 1.00 0.00 O ATOM 921 CB LYS A 65 -12.457 -3.583 4.415 1.00 0.00 C ATOM 922 CG LYS A 65 -12.628 -2.159 4.908 1.00 0.00 C ATOM 923 CD LYS A 65 -14.093 -1.831 5.191 1.00 0.00 C ATOM 924 CE LYS A 65 -15.029 -2.421 4.144 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.102 -1.464 3.756 1.00 0.00 N ATOM 0 H LYS A 65 -11.735 -3.463 6.790 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.351 -5.367 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.420 -3.574 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.338 -4.159 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.041 -2.015 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.237 -1.466 4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.365 -2.213 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.222 -0.749 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.455 -2.701 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.480 -3.334 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.026 -1.842 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.938 -0.550 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.092 -1.331 2.725 1.00 0.00 H new ATOM 939 N ARG A 66 -9.370 -2.757 4.685 1.00 0.00 N ATOM 940 CA ARG A 66 -8.154 -2.239 4.106 1.00 0.00 C ATOM 941 C ARG A 66 -7.034 -3.252 4.298 1.00 0.00 C ATOM 942 O ARG A 66 -6.210 -3.463 3.410 1.00 0.00 O ATOM 943 CB ARG A 66 -7.787 -0.923 4.783 1.00 0.00 C ATOM 944 CG ARG A 66 -8.228 0.309 4.008 1.00 0.00 C ATOM 945 CD ARG A 66 -7.298 1.485 4.256 1.00 0.00 C ATOM 946 NE ARG A 66 -5.898 1.076 4.256 1.00 0.00 N ATOM 947 CZ ARG A 66 -4.894 1.858 4.647 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.130 3.096 5.062 1.00 0.00 N ATOM 949 NH2 ARG A 66 -3.650 1.400 4.621 1.00 0.00 N ATOM 0 H ARG A 66 -9.721 -2.221 5.479 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.301 -2.062 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.238 -0.897 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.707 -0.886 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.252 0.081 2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.243 0.579 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.456 2.242 3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.542 1.946 5.213 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.675 0.133 3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.085 3.454 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.356 3.690 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.463 0.449 4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.880 1.998 4.920 1.00 0.00 H new ATOM 963 N ASN A 67 -7.020 -3.880 5.474 1.00 0.00 N ATOM 964 CA ASN A 67 -6.020 -4.868 5.802 1.00 0.00 C ATOM 965 C ASN A 67 -6.148 -6.098 4.904 1.00 0.00 C ATOM 966 O ASN A 67 -5.148 -6.611 4.401 1.00 0.00 O ATOM 967 CB ASN A 67 -6.165 -5.263 7.267 1.00 0.00 C ATOM 968 CG ASN A 67 -5.195 -4.521 8.167 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.109 -4.131 7.739 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.586 -4.318 9.420 1.00 0.00 N ATOM 0 H ASN A 67 -7.701 -3.712 6.214 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.032 -4.438 5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.185 -5.063 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.002 -6.336 7.369 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.977 -3.821 10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.495 -4.659 9.732 1.00 0.00 H new ATOM 977 N GLU A 68 -7.379 -6.574 4.709 1.00 0.00 N ATOM 978 CA GLU A 68 -7.608 -7.742 3.878 1.00 0.00 C ATOM 979 C GLU A 68 -7.298 -7.454 2.414 1.00 0.00 C ATOM 980 O GLU A 68 -7.049 -8.367 1.627 1.00 0.00 O ATOM 981 CB GLU A 68 -9.040 -8.254 4.045 1.00 0.00 C ATOM 982 CG GLU A 68 -10.058 -7.461 3.261 1.00 0.00 C ATOM 983 CD GLU A 68 -11.430 -8.105 3.257 1.00 0.00 C ATOM 984 OE1 GLU A 68 -11.680 -8.979 4.114 1.00 0.00 O ATOM 985 OE2 GLU A 68 -12.256 -7.737 2.394 1.00 0.00 O ATOM 0 H GLU A 68 -8.222 -6.168 5.114 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.925 -8.525 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.084 -9.297 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.306 -8.228 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.134 -6.459 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.711 -7.349 2.234 1.00 0.00 H new ATOM 992 N LEU A 69 -7.314 -6.180 2.062 1.00 0.00 N ATOM 993 CA LEU A 69 -7.035 -5.752 0.696 1.00 0.00 C ATOM 994 C LEU A 69 -5.551 -5.487 0.501 1.00 0.00 C ATOM 995 O LEU A 69 -4.927 -6.015 -0.418 1.00 0.00 O ATOM 996 CB LEU A 69 -7.836 -4.494 0.368 1.00 0.00 C ATOM 997 CG LEU A 69 -9.337 -4.722 0.235 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.063 -3.409 -0.012 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.612 -5.716 -0.880 1.00 0.00 C ATOM 0 H LEU A 69 -7.519 -5.416 2.707 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.331 -6.554 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.661 -3.753 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.461 -4.071 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.714 -5.136 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.133 -3.596 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.883 -2.731 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.694 -2.957 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.687 -5.874 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.223 -5.325 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.124 -6.663 -0.652 1.00 0.00 H new ATOM 1011 N LYS A 70 -4.992 -4.665 1.374 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.583 -4.325 1.312 1.00 0.00 C ATOM 1013 C LYS A 70 -2.731 -5.585 1.268 1.00 0.00 C ATOM 1014 O LYS A 70 -1.680 -5.618 0.630 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.219 -3.437 2.508 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.480 -4.151 3.629 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.650 -3.429 4.956 1.00 0.00 C ATOM 1018 CE LYS A 70 -1.733 -2.221 5.055 1.00 0.00 C ATOM 1019 NZ LYS A 70 -2.382 -1.088 5.770 1.00 0.00 N ATOM 0 H LYS A 70 -5.498 -4.219 2.139 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.382 -3.768 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.603 -2.610 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.134 -3.003 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.851 -5.172 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.420 -4.218 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.686 -3.110 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.438 -4.116 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.818 -2.502 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.445 -1.901 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.773 -0.247 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.301 -0.880 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.526 -1.344 6.768 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.206 -6.627 1.934 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.505 -7.893 1.957 1.00 0.00 C ATOM 1035 C LYS A 71 -2.598 -8.561 0.594 1.00 0.00 C ATOM 1036 O LYS A 71 -1.701 -9.299 0.187 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.066 -8.785 3.074 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.795 -10.277 2.905 1.00 0.00 C ATOM 1039 CD LYS A 71 -4.051 -11.102 3.143 1.00 0.00 C ATOM 1040 CE LYS A 71 -5.196 -10.657 2.244 1.00 0.00 C ATOM 1041 NZ LYS A 71 -6.246 -11.706 2.121 1.00 0.00 N ATOM 0 H LYS A 71 -4.076 -6.616 2.466 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.450 -7.725 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.644 -8.460 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.143 -8.631 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.418 -10.468 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.017 -10.588 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.834 -12.155 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.352 -11.013 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.639 -9.745 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.808 -10.414 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.185 -11.271 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.175 -12.160 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.112 -12.420 2.865 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.670 -8.266 -0.120 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.861 -8.805 -1.448 1.00 0.00 C ATOM 1057 C LYS A 72 -2.798 -8.242 -2.374 1.00 0.00 C ATOM 1058 O LYS A 72 -2.355 -8.896 -3.317 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.261 -8.481 -1.977 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.170 -9.696 -2.069 1.00 0.00 C ATOM 1061 CD LYS A 72 -7.523 -9.431 -1.423 1.00 0.00 C ATOM 1062 CE LYS A 72 -7.731 -10.296 -0.191 1.00 0.00 C ATOM 1063 NZ LYS A 72 -7.994 -11.718 -0.546 1.00 0.00 N ATOM 0 H LYS A 72 -4.421 -7.655 0.201 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.768 -9.890 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.724 -7.739 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.172 -8.028 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.312 -9.967 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.693 -10.546 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.596 -8.379 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.316 -9.627 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.848 -10.239 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.568 -9.906 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.130 -12.273 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.851 -11.777 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.185 -12.099 -1.077 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.392 -7.019 -2.072 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.377 -6.333 -2.834 1.00 0.00 C ATOM 1079 C ALA A 73 -0.002 -6.473 -2.179 1.00 0.00 C ATOM 1080 O ALA A 73 1.006 -6.057 -2.747 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.750 -4.868 -2.980 1.00 0.00 C ATOM 0 H ALA A 73 -2.761 -6.479 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.319 -6.790 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.981 -4.353 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.707 -4.786 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.830 -4.413 -1.993 1.00 0.00 H new ATOM 1087 N SER A 74 0.034 -7.055 -0.976 1.00 0.00 N ATOM 1088 CA SER A 74 1.288 -7.239 -0.249 1.00 0.00 C ATOM 1089 C SER A 74 1.753 -5.924 0.368 1.00 0.00 C ATOM 1090 O SER A 74 2.929 -5.760 0.693 1.00 0.00 O ATOM 1091 CB SER A 74 2.375 -7.799 -1.171 1.00 0.00 C ATOM 1092 OG SER A 74 1.847 -8.779 -2.048 1.00 0.00 O ATOM 0 H SER A 74 -0.791 -7.405 -0.488 1.00 0.00 H new ATOM 0 HA SER A 74 1.108 -7.956 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.817 -6.989 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.174 -8.236 -0.572 1.00 0.00 H new ATOM 0 HG SER A 74 2.561 -9.119 -2.627 1.00 0.00 H new ATOM 1098 N LEU A 75 0.818 -4.991 0.531 1.00 0.00 N ATOM 1099 CA LEU A 75 1.127 -3.693 1.115 1.00 0.00 C ATOM 1100 C LEU A 75 0.908 -3.708 2.628 1.00 0.00 C ATOM 1101 O LEU A 75 0.893 -2.660 3.272 1.00 0.00 O ATOM 1102 CB LEU A 75 0.258 -2.609 0.467 1.00 0.00 C ATOM 1103 CG LEU A 75 0.364 -2.515 -1.057 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.233 -1.209 -1.558 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.811 -2.646 -1.500 1.00 0.00 C ATOM 0 H LEU A 75 -0.160 -5.112 0.266 1.00 0.00 H new ATOM 0 HA LEU A 75 2.178 -3.472 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.783 -2.793 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.530 -1.644 0.895 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.204 -3.338 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.147 -1.163 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.284 -1.157 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.304 -0.370 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.867 -2.577 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.402 -1.845 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.204 -3.610 -1.177 1.00 0.00 H new ATOM 1117 N PHE A 76 0.734 -4.904 3.187 1.00 0.00 N ATOM 1118 CA PHE A 76 0.513 -5.056 4.616 1.00 0.00 C ATOM 1119 C PHE A 76 1.831 -5.003 5.382 1.00 0.00 C ATOM 1120 O PHE A 76 1.918 -4.225 6.356 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.212 -6.372 4.903 1.00 0.00 C ATOM 1122 CG PHE A 76 -0.979 -6.369 6.196 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.336 -6.128 7.399 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.345 -6.609 6.207 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.040 -6.125 8.589 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.053 -6.608 7.393 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.401 -6.365 8.585 1.00 0.00 C ATOM 1128 OXT PHE A 76 2.765 -5.740 5.003 1.00 0.00 O ATOM 0 H PHE A 76 0.743 -5.781 2.667 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.110 -4.227 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.899 -6.585 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.518 -7.181 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.728 -5.940 7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.861 -6.799 5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.527 -5.935 9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.116 -6.797 7.388 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.953 -6.362 9.513 1.00 0.00 H new