USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 690 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 33 MET CE :methyl 150:sc= -1.7 (180deg=-2.36!) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -10! C(o=-27!,f=-37!) USER MOD Set 1.3: A 82 CYS SG : rot -85:sc= -2.04! USER MOD Set 1.4: A 85 HIS : no HD1:sc= -9.05! C(o=-27!,f=-26!) USER MOD Set 1.5: A 90 MET CE :methyl 156:sc= -4.43! (180deg=-3.33!) USER MOD Set 2.1: A 77 THR OG1 : rot -71:sc= 0.235 USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0.224 USER MOD Set 3.1: A 28 THR OG1 : rot -71:sc= 1.04 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.441 USER MOD Single : A 2 SER OG : rot 170:sc= -0.627 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -149:sc= -1.58 (180deg=-2.18!) USER MOD Single : A 9 THR OG1 : rot -82:sc= -3.16! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -145:sc= 0.986 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -4.82! C(o=-4.8!,f=-12!) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= -0.0291 (180deg=-0.499) USER MOD Single : A 40 ASN : amide:sc= -8.12! C(o=-8.1!,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 57 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.9) USER MOD Single : A 58 THR OG1 : rot -38:sc= 1.09 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -123:sc= -1.39 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -1.43! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 56:sc= -0.238 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0254 USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -13.118 -7.991 -3.480 1.00 0.00 N ATOM 12 CA SER A 2 -11.785 -7.412 -3.489 1.00 0.00 C ATOM 13 C SER A 2 -11.696 -6.288 -2.454 1.00 0.00 C ATOM 14 O SER A 2 -12.713 -5.859 -1.910 1.00 0.00 O ATOM 15 CB SER A 2 -11.422 -6.885 -4.878 1.00 0.00 C ATOM 16 OG SER A 2 -10.593 -7.796 -5.594 1.00 0.00 O ATOM 0 HA SER A 2 -11.071 -8.194 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.334 -6.701 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.909 -5.928 -4.780 1.00 0.00 H new ATOM 0 HG SER A 2 -10.515 -7.504 -6.526 1.00 0.00 H new ATOM 22 N VAL A 3 -10.472 -5.843 -2.214 1.00 0.00 N ATOM 23 CA VAL A 3 -10.237 -4.777 -1.255 1.00 0.00 C ATOM 24 C VAL A 3 -9.449 -3.653 -1.931 1.00 0.00 C ATOM 25 O VAL A 3 -9.079 -3.766 -3.099 1.00 0.00 O ATOM 26 CB VAL A 3 -9.537 -5.335 -0.015 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.548 -5.954 0.953 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.457 -6.347 -0.401 1.00 0.00 C ATOM 0 H VAL A 3 -9.632 -6.201 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.182 -4.353 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.049 -4.505 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.024 -6.343 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.263 -5.194 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.078 -6.766 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.976 -6.727 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.912 -7.174 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.713 -5.862 -1.032 1.00 0.00 H new ATOM 38 N GLN A 4 -9.217 -2.595 -1.169 1.00 0.00 N ATOM 39 CA GLN A 4 -8.480 -1.451 -1.680 1.00 0.00 C ATOM 40 C GLN A 4 -7.692 -0.781 -0.552 1.00 0.00 C ATOM 41 O GLN A 4 -8.009 -0.959 0.623 1.00 0.00 O ATOM 42 CB GLN A 4 -9.420 -0.453 -2.360 1.00 0.00 C ATOM 43 CG GLN A 4 -10.637 -0.160 -1.481 1.00 0.00 C ATOM 44 CD GLN A 4 -11.916 -0.095 -2.319 1.00 0.00 C ATOM 45 OE1 GLN A 4 -12.553 -1.096 -2.605 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.254 1.135 -2.696 1.00 0.00 N ATOM 0 H GLN A 4 -9.526 -2.505 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.773 -1.804 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.885 0.474 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.748 -0.852 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.735 -0.934 -0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.493 0.785 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.676 1.929 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.091 1.284 -3.259 1.00 0.00 H new ATOM 55 N ILE A 5 -6.679 -0.025 -0.951 1.00 0.00 N ATOM 56 CA ILE A 5 -5.842 0.672 0.012 1.00 0.00 C ATOM 57 C ILE A 5 -5.818 2.164 -0.327 1.00 0.00 C ATOM 58 O ILE A 5 -5.202 2.570 -1.311 1.00 0.00 O ATOM 59 CB ILE A 5 -4.453 0.033 0.077 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.487 -1.272 0.874 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.422 1.017 0.631 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.801 -1.007 2.348 1.00 0.00 C ATOM 0 H ILE A 5 -6.419 0.120 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.257 0.579 1.016 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.144 -0.218 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.238 -1.940 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.526 -1.779 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.444 0.537 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.373 1.894 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.713 1.322 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.819 -1.952 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.034 -0.359 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.773 -0.522 2.431 1.00 0.00 H new ATOM 74 N LYS A 6 -6.496 2.938 0.506 1.00 0.00 N ATOM 75 CA LYS A 6 -6.560 4.376 0.307 1.00 0.00 C ATOM 76 C LYS A 6 -5.388 5.040 1.034 1.00 0.00 C ATOM 77 O LYS A 6 -5.047 4.653 2.150 1.00 0.00 O ATOM 78 CB LYS A 6 -7.929 4.915 0.728 1.00 0.00 C ATOM 79 CG LYS A 6 -8.842 5.099 -0.485 1.00 0.00 C ATOM 80 CD LYS A 6 -10.287 4.727 -0.146 1.00 0.00 C ATOM 81 CE LYS A 6 -11.045 5.931 0.417 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.287 5.491 1.090 1.00 0.00 N ATOM 0 H LYS A 6 -7.006 2.597 1.321 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.459 4.619 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.393 4.228 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.806 5.868 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.799 6.134 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.487 4.480 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.791 4.361 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.296 3.915 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.412 6.469 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.286 6.625 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.790 6.320 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.896 4.997 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.049 4.846 1.871 1.00 0.00 H new ATOM 96 N MET A 7 -4.804 6.027 0.370 1.00 0.00 N ATOM 97 CA MET A 7 -3.678 6.747 0.938 1.00 0.00 C ATOM 98 C MET A 7 -4.082 8.167 1.340 1.00 0.00 C ATOM 99 O MET A 7 -4.186 9.051 0.490 1.00 0.00 O ATOM 100 CB MET A 7 -2.543 6.809 -0.084 1.00 0.00 C ATOM 101 CG MET A 7 -1.760 5.496 -0.115 1.00 0.00 C ATOM 102 SD MET A 7 -1.145 5.189 -1.763 1.00 0.00 S ATOM 103 CE MET A 7 -2.019 3.681 -2.145 1.00 0.00 C ATOM 0 H MET A 7 -5.090 6.345 -0.556 1.00 0.00 H new ATOM 0 HA MET A 7 -3.345 6.217 1.831 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.951 7.017 -1.073 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.871 7.631 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.929 5.542 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.401 4.673 0.202 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.413 3.069 -2.813 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.214 3.130 -1.225 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.965 3.922 -2.631 1.00 0.00 H new ATOM 113 N GLY A 8 -4.300 8.342 2.635 1.00 0.00 N ATOM 114 CA GLY A 8 -4.690 9.640 3.159 1.00 0.00 C ATOM 115 C GLY A 8 -6.074 9.575 3.809 1.00 0.00 C ATOM 116 O GLY A 8 -6.945 8.839 3.350 1.00 0.00 O ATOM 0 H GLY A 8 -4.214 7.607 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.956 9.976 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.697 10.374 2.354 1.00 0.00 H new ATOM 120 N THR A 9 -6.232 10.357 4.867 1.00 0.00 N ATOM 121 CA THR A 9 -7.496 10.398 5.585 1.00 0.00 C ATOM 122 C THR A 9 -8.192 11.741 5.362 1.00 0.00 C ATOM 123 O THR A 9 -7.548 12.727 5.009 1.00 0.00 O ATOM 124 CB THR A 9 -7.213 10.096 7.058 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.084 10.909 7.368 1.00 0.00 O ATOM 126 CG2 THR A 9 -6.713 8.666 7.278 1.00 0.00 C ATOM 0 H THR A 9 -5.507 10.967 5.244 1.00 0.00 H new ATOM 0 HA THR A 9 -8.188 9.643 5.211 1.00 0.00 H new ATOM 0 HB THR A 9 -8.119 10.258 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.266 10.462 7.066 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.528 8.505 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.466 7.959 6.930 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.788 8.514 6.721 1.00 0.00 H new ATOM 134 N ASP A 10 -9.499 11.737 5.579 1.00 0.00 N ATOM 135 CA ASP A 10 -10.290 12.943 5.407 1.00 0.00 C ATOM 136 C ASP A 10 -9.783 14.022 6.365 1.00 0.00 C ATOM 137 O ASP A 10 -10.107 15.198 6.210 1.00 0.00 O ATOM 138 CB ASP A 10 -11.765 12.685 5.724 1.00 0.00 C ATOM 139 CG ASP A 10 -12.657 13.928 5.707 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.960 14.396 4.589 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.016 14.382 6.816 1.00 0.00 O ATOM 0 H ASP A 10 -10.030 10.917 5.873 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.195 13.263 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.156 11.966 5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.834 12.220 6.708 1.00 0.00 H new ATOM 146 N LYS A 11 -8.994 13.583 7.336 1.00 0.00 N ATOM 147 CA LYS A 11 -8.439 14.496 8.320 1.00 0.00 C ATOM 148 C LYS A 11 -7.086 15.012 7.825 1.00 0.00 C ATOM 149 O LYS A 11 -6.151 15.164 8.609 1.00 0.00 O ATOM 150 CB LYS A 11 -8.377 13.828 9.695 1.00 0.00 C ATOM 151 CG LYS A 11 -9.241 14.581 10.709 1.00 0.00 C ATOM 152 CD LYS A 11 -10.705 14.145 10.612 1.00 0.00 C ATOM 153 CE LYS A 11 -11.045 13.121 11.697 1.00 0.00 C ATOM 154 NZ LYS A 11 -11.512 13.804 12.924 1.00 0.00 N ATOM 0 H LYS A 11 -8.726 12.607 7.462 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.086 15.364 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.717 12.795 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.344 13.798 10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.869 14.397 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.165 15.654 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.355 15.015 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.896 13.715 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.817 12.442 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.167 12.515 11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.739 13.096 13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.764 14.434 13.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.362 14.363 12.708 1.00 0.00 H new ATOM 168 N TYR A 12 -7.026 15.267 6.526 1.00 0.00 N ATOM 169 CA TYR A 12 -5.804 15.763 5.916 1.00 0.00 C ATOM 170 C TYR A 12 -4.577 15.063 6.502 1.00 0.00 C ATOM 171 O TYR A 12 -3.489 15.637 6.540 1.00 0.00 O ATOM 172 CB TYR A 12 -5.737 17.253 6.256 1.00 0.00 C ATOM 173 CG TYR A 12 -5.908 18.175 5.047 1.00 0.00 C ATOM 174 CD1 TYR A 12 -7.169 18.432 4.548 1.00 0.00 C ATOM 175 CD2 TYR A 12 -4.801 18.751 4.457 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.329 19.300 3.410 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.962 19.619 3.319 1.00 0.00 C ATOM 178 CZ TYR A 12 -6.218 19.850 2.851 1.00 0.00 C ATOM 179 OH TYR A 12 -6.370 20.670 1.777 1.00 0.00 O ATOM 0 H TYR A 12 -7.804 15.139 5.879 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.809 15.580 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.511 17.483 6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.778 17.465 6.729 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.035 17.982 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.815 18.551 4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.310 19.510 3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.105 20.076 2.848 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.492 20.991 1.483 1.00 0.00 H new ATOM 189 N ALA A 13 -4.791 13.833 6.946 1.00 0.00 N ATOM 190 CA ALA A 13 -3.716 13.048 7.528 1.00 0.00 C ATOM 191 C ALA A 13 -3.252 11.997 6.518 1.00 0.00 C ATOM 192 O ALA A 13 -4.018 11.108 6.148 1.00 0.00 O ATOM 193 CB ALA A 13 -4.192 12.425 8.842 1.00 0.00 C ATOM 0 H ALA A 13 -5.694 13.360 6.914 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.860 13.682 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.385 11.836 9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.481 13.215 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.049 11.780 8.649 1.00 0.00 H new ATOM 199 N PRO A 14 -1.969 12.136 6.092 1.00 0.00 N ATOM 200 CA PRO A 14 -1.394 11.209 5.131 1.00 0.00 C ATOM 201 C PRO A 14 -1.065 9.869 5.793 1.00 0.00 C ATOM 202 O PRO A 14 0.021 9.694 6.344 1.00 0.00 O ATOM 203 CB PRO A 14 -0.167 11.918 4.584 1.00 0.00 C ATOM 204 CG PRO A 14 0.164 13.012 5.588 1.00 0.00 C ATOM 205 CD PRO A 14 -1.034 13.176 6.509 1.00 0.00 C ATOM 0 HA PRO A 14 -2.083 10.958 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.667 11.225 4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.366 12.339 3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.053 12.748 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.382 13.948 5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.749 13.056 7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.476 14.168 6.411 1.00 0.00 H new ATOM 213 N LEU A 15 -2.023 8.957 5.718 1.00 0.00 N ATOM 214 CA LEU A 15 -1.849 7.639 6.302 1.00 0.00 C ATOM 215 C LEU A 15 -2.491 6.592 5.391 1.00 0.00 C ATOM 216 O LEU A 15 -3.166 6.937 4.422 1.00 0.00 O ATOM 217 CB LEU A 15 -2.380 7.613 7.738 1.00 0.00 C ATOM 218 CG LEU A 15 -2.003 6.388 8.571 1.00 0.00 C ATOM 219 CD1 LEU A 15 -1.744 6.774 10.029 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.064 5.293 8.449 1.00 0.00 C ATOM 0 H LEU A 15 -2.923 9.105 5.261 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.790 7.393 6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.019 8.503 8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.467 7.683 7.703 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.073 5.981 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.478 5.884 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.926 7.493 10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.644 7.221 10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.771 4.433 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.022 5.674 8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.156 4.990 7.406 1.00 0.00 H new ATOM 232 N TYR A 16 -2.260 5.332 5.733 1.00 0.00 N ATOM 233 CA TYR A 16 -2.809 4.233 4.957 1.00 0.00 C ATOM 234 C TYR A 16 -4.111 3.722 5.575 1.00 0.00 C ATOM 235 O TYR A 16 -4.160 3.413 6.765 1.00 0.00 O ATOM 236 CB TYR A 16 -1.762 3.118 5.008 1.00 0.00 C ATOM 237 CG TYR A 16 -0.797 3.116 3.821 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.250 2.772 2.564 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.527 3.459 4.008 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.340 2.770 1.447 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.435 3.457 2.891 1.00 0.00 C ATOM 242 CZ TYR A 16 0.957 3.112 1.665 1.00 0.00 C ATOM 243 OH TYR A 16 1.816 3.111 0.611 1.00 0.00 O ATOM 0 H TYR A 16 -1.700 5.048 6.537 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.030 4.554 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.188 3.215 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.273 2.156 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.286 2.504 2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.881 3.729 4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.681 2.502 0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.473 3.724 3.023 1.00 0.00 H new ATOM 0 HH TYR A 16 2.703 2.821 0.912 1.00 0.00 H new ATOM 253 N GLU A 17 -5.138 3.649 4.739 1.00 0.00 N ATOM 254 CA GLU A 17 -6.437 3.181 5.188 1.00 0.00 C ATOM 255 C GLU A 17 -7.000 2.152 4.206 1.00 0.00 C ATOM 256 O GLU A 17 -7.020 2.388 2.999 1.00 0.00 O ATOM 257 CB GLU A 17 -7.407 4.350 5.373 1.00 0.00 C ATOM 258 CG GLU A 17 -8.494 4.005 6.393 1.00 0.00 C ATOM 259 CD GLU A 17 -9.404 5.207 6.652 1.00 0.00 C ATOM 260 OE1 GLU A 17 -8.856 6.256 7.055 1.00 0.00 O ATOM 261 OE2 GLU A 17 -10.626 5.050 6.442 1.00 0.00 O ATOM 0 H GLU A 17 -5.095 3.907 3.753 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.312 2.698 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.860 5.232 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.867 4.600 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.088 3.167 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.033 3.686 7.327 1.00 0.00 H new ATOM 268 N PRO A 18 -7.452 1.002 4.774 1.00 0.00 N ATOM 269 CA PRO A 18 -7.389 0.803 6.212 1.00 0.00 C ATOM 270 C PRO A 18 -5.958 0.503 6.662 1.00 0.00 C ATOM 271 O PRO A 18 -5.169 -0.056 5.902 1.00 0.00 O ATOM 272 CB PRO A 18 -8.352 -0.339 6.493 1.00 0.00 C ATOM 273 CG PRO A 18 -8.566 -1.041 5.162 1.00 0.00 C ATOM 274 CD PRO A 18 -8.033 -0.134 4.065 1.00 0.00 C ATOM 0 HA PRO A 18 -7.673 1.693 6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.940 -1.024 7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.294 0.034 6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.049 -2.000 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.625 -1.248 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.287 -0.645 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.829 0.184 3.392 1.00 0.00 H new ATOM 282 N LYS A 19 -5.667 0.889 7.896 1.00 0.00 N ATOM 283 CA LYS A 19 -4.345 0.667 8.457 1.00 0.00 C ATOM 284 C LYS A 19 -3.920 -0.779 8.195 1.00 0.00 C ATOM 285 O LYS A 19 -2.761 -1.042 7.880 1.00 0.00 O ATOM 286 CB LYS A 19 -4.318 1.058 9.935 1.00 0.00 C ATOM 287 CG LYS A 19 -2.895 0.997 10.493 1.00 0.00 C ATOM 288 CD LYS A 19 -2.450 2.366 11.012 1.00 0.00 C ATOM 289 CE LYS A 19 -2.401 2.383 12.541 1.00 0.00 C ATOM 290 NZ LYS A 19 -1.217 3.133 13.015 1.00 0.00 N ATOM 0 H LYS A 19 -6.324 1.354 8.523 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.611 1.308 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.717 2.065 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.964 0.389 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.848 0.266 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.210 0.659 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.466 2.609 10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.138 3.134 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.309 2.840 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.368 1.362 12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.200 3.134 14.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.353 2.680 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.265 4.112 12.669 1.00 0.00 H new ATOM 304 N ALA A 20 -4.882 -1.679 8.335 1.00 0.00 N ATOM 305 CA ALA A 20 -4.622 -3.092 8.118 1.00 0.00 C ATOM 306 C ALA A 20 -5.609 -3.634 7.081 1.00 0.00 C ATOM 307 O ALA A 20 -6.744 -3.168 6.997 1.00 0.00 O ATOM 308 CB ALA A 20 -4.707 -3.839 9.451 1.00 0.00 C ATOM 0 H ALA A 20 -5.843 -1.457 8.596 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.616 -3.241 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.512 -4.899 9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.966 -3.436 10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.704 -3.715 9.875 1.00 0.00 H new ATOM 314 N LEU A 21 -5.140 -4.612 6.321 1.00 0.00 N ATOM 315 CA LEU A 21 -5.967 -5.223 5.294 1.00 0.00 C ATOM 316 C LEU A 21 -5.732 -6.736 5.289 1.00 0.00 C ATOM 317 O LEU A 21 -4.601 -7.192 5.447 1.00 0.00 O ATOM 318 CB LEU A 21 -5.717 -4.558 3.938 1.00 0.00 C ATOM 319 CG LEU A 21 -6.145 -5.361 2.708 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.588 -5.850 2.848 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.934 -4.553 1.427 1.00 0.00 C ATOM 0 H LEU A 21 -4.198 -4.997 6.395 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.023 -5.064 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.240 -3.602 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.652 -4.341 3.853 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.512 -6.245 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.867 -6.418 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.672 -6.487 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.254 -4.994 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.246 -5.146 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.526 -3.639 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.879 -4.297 1.328 1.00 0.00 H new ATOM 333 N SER A 22 -6.820 -7.469 5.104 1.00 0.00 N ATOM 334 CA SER A 22 -6.746 -8.921 5.077 1.00 0.00 C ATOM 335 C SER A 22 -7.442 -9.456 3.824 1.00 0.00 C ATOM 336 O SER A 22 -8.479 -8.935 3.415 1.00 0.00 O ATOM 337 CB SER A 22 -7.374 -9.528 6.333 1.00 0.00 C ATOM 338 OG SER A 22 -7.119 -10.926 6.435 1.00 0.00 O ATOM 0 H SER A 22 -7.756 -7.086 4.972 1.00 0.00 H new ATOM 0 HA SER A 22 -5.695 -9.210 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.981 -9.023 7.215 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.450 -9.356 6.320 1.00 0.00 H new ATOM 0 HG SER A 22 -7.535 -11.276 7.251 1.00 0.00 H new ATOM 344 N ILE A 23 -6.843 -10.488 3.248 1.00 0.00 N ATOM 345 CA ILE A 23 -7.392 -11.099 2.050 1.00 0.00 C ATOM 346 C ILE A 23 -7.011 -12.581 2.018 1.00 0.00 C ATOM 347 O ILE A 23 -6.389 -13.086 2.951 1.00 0.00 O ATOM 348 CB ILE A 23 -6.955 -10.325 0.805 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.451 -10.477 0.565 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.376 -8.857 0.897 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.095 -10.175 -0.892 1.00 0.00 C ATOM 0 H ILE A 23 -5.982 -10.916 3.589 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.481 -11.049 2.062 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.463 -10.752 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.904 -9.803 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.140 -11.491 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.053 -8.329 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.461 -8.794 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.914 -8.400 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.021 -10.290 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.625 -10.867 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.386 -9.152 -1.133 1.00 0.00 H new ATOM 363 N SER A 24 -7.401 -13.236 0.934 1.00 0.00 N ATOM 364 CA SER A 24 -7.108 -14.649 0.768 1.00 0.00 C ATOM 365 C SER A 24 -6.300 -14.870 -0.512 1.00 0.00 C ATOM 366 O SER A 24 -6.273 -14.007 -1.390 1.00 0.00 O ATOM 367 CB SER A 24 -8.394 -15.477 0.734 1.00 0.00 C ATOM 368 OG SER A 24 -9.277 -15.135 1.798 1.00 0.00 O ATOM 0 H SER A 24 -7.917 -12.814 0.162 1.00 0.00 H new ATOM 0 HA SER A 24 -6.518 -14.979 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.899 -15.323 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.145 -16.536 0.796 1.00 0.00 H new ATOM 0 HG SER A 24 -10.087 -15.684 1.740 1.00 0.00 H new ATOM 374 N ALA A 25 -5.663 -16.029 -0.580 1.00 0.00 N ATOM 375 CA ALA A 25 -4.856 -16.373 -1.739 1.00 0.00 C ATOM 376 C ALA A 25 -5.744 -16.389 -2.985 1.00 0.00 C ATOM 377 O ALA A 25 -6.534 -17.312 -3.178 1.00 0.00 O ATOM 378 CB ALA A 25 -4.165 -17.717 -1.499 1.00 0.00 C ATOM 0 H ALA A 25 -5.689 -16.742 0.149 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.076 -15.629 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.560 -17.975 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.525 -17.645 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.917 -18.489 -1.338 1.00 0.00 H new ATOM 384 N GLY A 26 -5.584 -15.356 -3.799 1.00 0.00 N ATOM 385 CA GLY A 26 -6.361 -15.239 -5.021 1.00 0.00 C ATOM 386 C GLY A 26 -7.129 -13.916 -5.059 1.00 0.00 C ATOM 387 O GLY A 26 -7.727 -13.570 -6.077 1.00 0.00 O ATOM 0 H GLY A 26 -4.928 -14.592 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.699 -15.304 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.061 -16.072 -5.092 1.00 0.00 H new ATOM 391 N ASP A 27 -7.087 -13.213 -3.937 1.00 0.00 N ATOM 392 CA ASP A 27 -7.772 -11.936 -3.828 1.00 0.00 C ATOM 393 C ASP A 27 -6.897 -10.839 -4.440 1.00 0.00 C ATOM 394 O ASP A 27 -5.754 -11.092 -4.819 1.00 0.00 O ATOM 395 CB ASP A 27 -8.032 -11.572 -2.366 1.00 0.00 C ATOM 396 CG ASP A 27 -9.204 -12.310 -1.714 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.532 -13.407 -2.215 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.743 -11.760 -0.730 1.00 0.00 O ATOM 0 H ASP A 27 -6.589 -13.503 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.724 -12.019 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.129 -11.775 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.216 -10.500 -2.302 1.00 0.00 H new ATOM 403 N THR A 28 -7.467 -9.645 -4.517 1.00 0.00 N ATOM 404 CA THR A 28 -6.753 -8.510 -5.074 1.00 0.00 C ATOM 405 C THR A 28 -6.684 -7.370 -4.057 1.00 0.00 C ATOM 406 O THR A 28 -7.520 -7.284 -3.159 1.00 0.00 O ATOM 407 CB THR A 28 -7.442 -8.116 -6.383 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.550 -9.342 -7.101 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.554 -7.242 -7.272 1.00 0.00 C ATOM 0 H THR A 28 -8.415 -9.440 -4.203 1.00 0.00 H new ATOM 0 HA THR A 28 -5.717 -8.765 -5.298 1.00 0.00 H new ATOM 0 HB THR A 28 -8.368 -7.586 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.662 -9.619 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.090 -6.991 -8.187 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.295 -6.326 -6.740 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.643 -7.785 -7.523 1.00 0.00 H new ATOM 417 N VAL A 29 -5.680 -6.523 -4.231 1.00 0.00 N ATOM 418 CA VAL A 29 -5.492 -5.392 -3.339 1.00 0.00 C ATOM 419 C VAL A 29 -5.332 -4.115 -4.167 1.00 0.00 C ATOM 420 O VAL A 29 -4.296 -3.905 -4.795 1.00 0.00 O ATOM 421 CB VAL A 29 -4.307 -5.653 -2.407 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.009 -4.426 -1.542 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.553 -6.889 -1.540 1.00 0.00 C ATOM 0 H VAL A 29 -4.988 -6.598 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.366 -5.258 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.431 -5.847 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.163 -4.638 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.769 -3.578 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.883 -4.187 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.696 -7.052 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.446 -6.737 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.692 -7.760 -2.180 1.00 0.00 H new ATOM 433 N GLU A 30 -6.374 -3.297 -4.141 1.00 0.00 N ATOM 434 CA GLU A 30 -6.362 -2.047 -4.882 1.00 0.00 C ATOM 435 C GLU A 30 -5.689 -0.948 -4.057 1.00 0.00 C ATOM 436 O GLU A 30 -5.483 -1.107 -2.856 1.00 0.00 O ATOM 437 CB GLU A 30 -7.778 -1.638 -5.290 1.00 0.00 C ATOM 438 CG GLU A 30 -7.784 -0.991 -6.678 1.00 0.00 C ATOM 439 CD GLU A 30 -9.007 -1.434 -7.482 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.052 -2.632 -7.834 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.870 -0.563 -7.729 1.00 0.00 O ATOM 0 H GLU A 30 -7.232 -3.475 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.785 -2.193 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.427 -2.513 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.184 -0.940 -4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.784 0.094 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.874 -1.262 -7.214 1.00 0.00 H new ATOM 448 N PHE A 31 -5.365 0.143 -4.737 1.00 0.00 N ATOM 449 CA PHE A 31 -4.720 1.269 -4.081 1.00 0.00 C ATOM 450 C PHE A 31 -5.227 2.597 -4.647 1.00 0.00 C ATOM 451 O PHE A 31 -5.152 2.830 -5.853 1.00 0.00 O ATOM 452 CB PHE A 31 -3.220 1.149 -4.360 1.00 0.00 C ATOM 453 CG PHE A 31 -2.536 0.010 -3.599 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.204 0.170 -2.290 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.260 -1.161 -4.232 1.00 0.00 C ATOM 456 CE1 PHE A 31 -1.569 -0.886 -1.585 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.625 -2.217 -3.527 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.293 -2.057 -2.219 1.00 0.00 C ATOM 0 H PHE A 31 -5.537 0.271 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.938 1.253 -3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.070 1.000 -5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.735 2.090 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.423 1.100 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.524 -1.288 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.305 -0.759 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.406 -3.147 -4.030 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.810 -2.860 -1.683 1.00 0.00 H new ATOM 468 N VAL A 32 -5.732 3.431 -3.751 1.00 0.00 N ATOM 469 CA VAL A 32 -6.251 4.729 -4.147 1.00 0.00 C ATOM 470 C VAL A 32 -5.509 5.826 -3.379 1.00 0.00 C ATOM 471 O VAL A 32 -5.044 5.601 -2.264 1.00 0.00 O ATOM 472 CB VAL A 32 -7.766 4.773 -3.936 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.205 6.135 -3.393 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.510 4.434 -5.229 1.00 0.00 C ATOM 0 H VAL A 32 -5.793 3.234 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.078 4.901 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.022 4.017 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.286 6.139 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.714 6.321 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.928 6.916 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.585 4.472 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.244 5.155 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.232 3.432 -5.557 1.00 0.00 H new ATOM 484 N MET A 33 -5.422 6.988 -4.009 1.00 0.00 N ATOM 485 CA MET A 33 -4.744 8.119 -3.400 1.00 0.00 C ATOM 486 C MET A 33 -5.752 9.137 -2.861 1.00 0.00 C ATOM 487 O MET A 33 -6.073 10.114 -3.536 1.00 0.00 O ATOM 488 CB MET A 33 -3.843 8.794 -4.436 1.00 0.00 C ATOM 489 CG MET A 33 -2.387 8.815 -3.965 1.00 0.00 C ATOM 490 SD MET A 33 -1.453 9.998 -4.921 1.00 0.00 S ATOM 491 CE MET A 33 -2.317 11.498 -4.490 1.00 0.00 C ATOM 0 H MET A 33 -5.810 7.171 -4.935 1.00 0.00 H new ATOM 0 HA MET A 33 -4.144 7.752 -2.567 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.914 8.264 -5.386 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.187 9.813 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.342 9.074 -2.907 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.948 7.823 -4.070 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.625 12.340 -4.527 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.130 11.665 -5.196 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.724 11.407 -3.483 1.00 0.00 H new ATOM 501 N ASN A 34 -6.222 8.873 -1.651 1.00 0.00 N ATOM 502 CA ASN A 34 -7.186 9.753 -1.015 1.00 0.00 C ATOM 503 C ASN A 34 -6.807 11.208 -1.296 1.00 0.00 C ATOM 504 O ASN A 34 -7.443 11.872 -2.114 1.00 0.00 O ATOM 505 CB ASN A 34 -7.198 9.553 0.502 1.00 0.00 C ATOM 506 CG ASN A 34 -8.504 8.901 0.960 1.00 0.00 C ATOM 507 OD1 ASN A 34 -9.018 7.982 0.345 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.010 9.427 2.072 1.00 0.00 N ATOM 0 H ASN A 34 -5.953 8.062 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.171 9.519 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.354 8.930 0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.074 10.515 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.880 9.061 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.528 10.196 2.538 1.00 0.00 H new ATOM 515 N LYS A 35 -5.773 11.661 -0.604 1.00 0.00 N ATOM 516 CA LYS A 35 -5.300 13.025 -0.770 1.00 0.00 C ATOM 517 C LYS A 35 -3.956 13.186 -0.057 1.00 0.00 C ATOM 518 O LYS A 35 -3.296 12.197 0.260 1.00 0.00 O ATOM 519 CB LYS A 35 -6.366 14.021 -0.307 1.00 0.00 C ATOM 520 CG LYS A 35 -6.371 14.146 1.219 1.00 0.00 C ATOM 521 CD LYS A 35 -7.742 13.783 1.794 1.00 0.00 C ATOM 522 CE LYS A 35 -8.468 15.028 2.308 1.00 0.00 C ATOM 523 NZ LYS A 35 -8.534 16.063 1.253 1.00 0.00 N ATOM 0 H LYS A 35 -5.249 11.108 0.074 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.129 13.243 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.177 14.996 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.347 13.696 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.610 13.492 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.111 15.165 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.345 13.297 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.621 13.066 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.475 14.762 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.950 15.424 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.365 16.668 1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.672 16.644 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.612 15.606 0.322 1.00 0.00 H new ATOM 537 N VAL A 36 -3.591 14.438 0.175 1.00 0.00 N ATOM 538 CA VAL A 36 -2.338 14.741 0.845 1.00 0.00 C ATOM 539 C VAL A 36 -1.211 13.934 0.197 1.00 0.00 C ATOM 540 O VAL A 36 -0.398 13.327 0.894 1.00 0.00 O ATOM 541 CB VAL A 36 -2.472 14.482 2.347 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.694 12.995 2.630 1.00 0.00 C ATOM 543 CG2 VAL A 36 -1.252 15.008 3.105 1.00 0.00 C ATOM 0 H VAL A 36 -4.141 15.255 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.089 15.796 0.732 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.348 15.025 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.786 12.839 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.607 12.663 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.847 12.422 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.373 14.811 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.355 14.506 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.158 16.082 2.943 1.00 0.00 H new ATOM 553 N GLY A 37 -1.199 13.951 -1.127 1.00 0.00 N ATOM 554 CA GLY A 37 -0.185 13.229 -1.877 1.00 0.00 C ATOM 555 C GLY A 37 1.027 14.119 -2.159 1.00 0.00 C ATOM 556 O GLY A 37 1.200 15.158 -1.525 1.00 0.00 O ATOM 0 H GLY A 37 -1.876 14.454 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.129 12.348 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.607 12.875 -2.817 1.00 0.00 H new ATOM 560 N PRO A 38 1.856 13.667 -3.137 1.00 0.00 N ATOM 561 CA PRO A 38 1.579 12.425 -3.839 1.00 0.00 C ATOM 562 C PRO A 38 1.900 11.215 -2.960 1.00 0.00 C ATOM 563 O PRO A 38 2.418 11.367 -1.854 1.00 0.00 O ATOM 564 CB PRO A 38 2.429 12.487 -5.097 1.00 0.00 C ATOM 565 CG PRO A 38 3.496 13.536 -4.830 1.00 0.00 C ATOM 566 CD PRO A 38 3.077 14.323 -3.599 1.00 0.00 C ATOM 0 HA PRO A 38 0.525 12.310 -4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.880 11.518 -5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.825 12.757 -5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.465 13.063 -4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.603 14.199 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.852 14.302 -2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.897 15.370 -3.841 1.00 0.00 H new ATOM 574 N HIS A 39 1.578 10.042 -3.484 1.00 0.00 N ATOM 575 CA HIS A 39 1.825 8.806 -2.761 1.00 0.00 C ATOM 576 C HIS A 39 2.500 7.794 -3.689 1.00 0.00 C ATOM 577 O HIS A 39 2.883 8.132 -4.807 1.00 0.00 O ATOM 578 CB HIS A 39 0.533 8.271 -2.141 1.00 0.00 C ATOM 579 CG HIS A 39 -0.133 9.232 -1.184 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.005 9.138 0.190 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.941 10.306 -1.417 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.693 10.115 0.748 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.280 10.838 -0.249 1.00 0.00 N ATOM 0 H HIS A 39 1.148 9.921 -4.401 1.00 0.00 H new ATOM 0 HA HIS A 39 2.506 8.997 -1.931 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.167 8.026 -2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.752 7.343 -1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.252 10.663 -2.388 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.782 10.306 1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.880 11.652 -0.119 1.00 0.00 H new ATOM 591 N ASN A 40 2.625 6.573 -3.190 1.00 0.00 N ATOM 592 CA ASN A 40 3.247 5.509 -3.960 1.00 0.00 C ATOM 593 C ASN A 40 3.029 4.174 -3.245 1.00 0.00 C ATOM 594 O ASN A 40 2.341 4.116 -2.227 1.00 0.00 O ATOM 595 CB ASN A 40 4.754 5.735 -4.092 1.00 0.00 C ATOM 596 CG ASN A 40 5.422 5.799 -2.717 1.00 0.00 C ATOM 597 OD1 ASN A 40 5.401 6.810 -2.034 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.015 4.667 -2.349 1.00 0.00 N ATOM 0 H ASN A 40 2.306 6.297 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 40 2.795 5.501 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.196 4.929 -4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.940 6.662 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.489 4.609 -1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.996 3.857 -2.968 1.00 0.00 H new ATOM 605 N VAL A 41 3.629 3.135 -3.807 1.00 0.00 N ATOM 606 CA VAL A 41 3.510 1.804 -3.237 1.00 0.00 C ATOM 607 C VAL A 41 4.891 1.149 -3.188 1.00 0.00 C ATOM 608 O VAL A 41 5.442 0.775 -4.222 1.00 0.00 O ATOM 609 CB VAL A 41 2.488 0.985 -4.028 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.428 -0.457 -3.520 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.106 1.641 -3.983 1.00 0.00 C ATOM 0 H VAL A 41 4.199 3.188 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 41 3.140 1.859 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 41 2.813 0.960 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.694 -1.017 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.408 -0.922 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.140 -0.461 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.399 1.039 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.771 1.712 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.163 2.640 -4.416 1.00 0.00 H new ATOM 621 N ILE A 42 5.413 1.030 -1.976 1.00 0.00 N ATOM 622 CA ILE A 42 6.719 0.427 -1.778 1.00 0.00 C ATOM 623 C ILE A 42 6.671 -0.495 -0.558 1.00 0.00 C ATOM 624 O ILE A 42 6.677 -0.027 0.579 1.00 0.00 O ATOM 625 CB ILE A 42 7.800 1.507 -1.691 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.990 2.202 -3.040 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.112 0.928 -1.156 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.658 3.568 -2.864 1.00 0.00 C ATOM 0 H ILE A 42 4.954 1.342 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 42 6.987 -0.191 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 42 7.469 2.265 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.599 1.577 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.024 2.326 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.863 1.716 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.949 0.516 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.460 0.139 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.781 4.041 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.034 4.199 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.635 3.438 -2.397 1.00 0.00 H new ATOM 640 N PHE A 43 6.627 -1.790 -0.836 1.00 0.00 N ATOM 641 CA PHE A 43 6.579 -2.782 0.225 1.00 0.00 C ATOM 642 C PHE A 43 7.943 -2.926 0.904 1.00 0.00 C ATOM 643 O PHE A 43 8.951 -2.448 0.385 1.00 0.00 O ATOM 644 CB PHE A 43 6.203 -4.114 -0.426 1.00 0.00 C ATOM 645 CG PHE A 43 4.901 -4.069 -1.229 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.711 -4.299 -0.611 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.933 -3.799 -2.562 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.504 -4.257 -1.356 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.725 -3.757 -3.307 1.00 0.00 C ATOM 650 CZ PHE A 43 2.536 -3.987 -2.688 1.00 0.00 C ATOM 0 H PHE A 43 6.624 -2.175 -1.780 1.00 0.00 H new ATOM 0 HA PHE A 43 5.856 -2.481 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.013 -4.426 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.113 -4.874 0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.685 -4.514 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.877 -3.617 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.560 -4.440 -0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.750 -3.542 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.617 -3.955 -3.255 1.00 0.00 H new ATOM 660 N ASP A 44 7.929 -3.586 2.052 1.00 0.00 N ATOM 661 CA ASP A 44 9.153 -3.800 2.807 1.00 0.00 C ATOM 662 C ASP A 44 9.700 -5.195 2.499 1.00 0.00 C ATOM 663 O ASP A 44 10.856 -5.339 2.105 1.00 0.00 O ATOM 664 CB ASP A 44 8.893 -3.715 4.312 1.00 0.00 C ATOM 665 CG ASP A 44 10.065 -3.187 5.142 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.970 -4.000 5.427 1.00 0.00 O ATOM 667 OD2 ASP A 44 10.029 -1.982 5.472 1.00 0.00 O ATOM 0 H ASP A 44 7.090 -3.980 2.478 1.00 0.00 H new ATOM 0 HA ASP A 44 9.866 -3.027 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.029 -3.072 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.627 -4.707 4.676 1.00 0.00 H new ATOM 672 N LYS A 45 8.843 -6.188 2.691 1.00 0.00 N ATOM 673 CA LYS A 45 9.226 -7.566 2.438 1.00 0.00 C ATOM 674 C LYS A 45 8.059 -8.489 2.796 1.00 0.00 C ATOM 675 O LYS A 45 7.281 -8.189 3.700 1.00 0.00 O ATOM 676 CB LYS A 45 10.525 -7.904 3.173 1.00 0.00 C ATOM 677 CG LYS A 45 11.691 -8.040 2.192 1.00 0.00 C ATOM 678 CD LYS A 45 12.689 -9.097 2.669 1.00 0.00 C ATOM 679 CE LYS A 45 14.130 -8.634 2.438 1.00 0.00 C ATOM 680 NZ LYS A 45 15.084 -9.688 2.849 1.00 0.00 N ATOM 0 H LYS A 45 7.885 -6.065 3.019 1.00 0.00 H new ATOM 0 HA LYS A 45 9.437 -7.715 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.748 -7.125 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.402 -8.834 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.312 -8.311 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.196 -7.080 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.533 -9.298 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.514 -10.033 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.277 -8.393 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.320 -7.722 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.057 -9.358 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.954 -9.899 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.912 -10.549 2.291 1.00 0.00 H new ATOM 694 N VAL A 46 7.975 -9.593 2.068 1.00 0.00 N ATOM 695 CA VAL A 46 6.916 -10.561 2.297 1.00 0.00 C ATOM 696 C VAL A 46 7.525 -11.960 2.403 1.00 0.00 C ATOM 697 O VAL A 46 8.613 -12.208 1.884 1.00 0.00 O ATOM 698 CB VAL A 46 5.859 -10.450 1.197 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.392 -9.003 1.029 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.382 -11.014 -0.126 1.00 0.00 C ATOM 0 H VAL A 46 8.623 -9.838 1.319 1.00 0.00 H new ATOM 0 HA VAL A 46 6.407 -10.356 3.239 1.00 0.00 H new ATOM 0 HB VAL A 46 4.998 -11.047 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.641 -8.952 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.960 -8.649 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.242 -8.375 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.611 -10.923 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.267 -10.457 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.642 -12.065 0.004 1.00 0.00 H new ATOM 710 N PRO A 47 6.778 -12.862 3.095 1.00 0.00 N ATOM 711 CA PRO A 47 7.233 -14.230 3.274 1.00 0.00 C ATOM 712 C PRO A 47 7.071 -15.036 1.984 1.00 0.00 C ATOM 713 O PRO A 47 6.640 -14.501 0.964 1.00 0.00 O ATOM 714 CB PRO A 47 6.399 -14.774 4.423 1.00 0.00 C ATOM 715 CG PRO A 47 5.195 -13.853 4.536 1.00 0.00 C ATOM 716 CD PRO A 47 5.486 -12.602 3.723 1.00 0.00 C ATOM 0 HA PRO A 47 8.296 -14.293 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.089 -15.801 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.971 -14.784 5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.299 -14.350 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.008 -13.596 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.711 -12.425 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.525 -11.717 4.358 1.00 0.00 H new ATOM 756 N SER A 51 8.012 -12.142 -4.601 1.00 0.00 N ATOM 757 CA SER A 51 8.876 -11.035 -4.974 1.00 0.00 C ATOM 758 C SER A 51 8.336 -9.728 -4.392 1.00 0.00 C ATOM 759 O SER A 51 7.781 -8.904 -5.117 1.00 0.00 O ATOM 760 CB SER A 51 9.004 -10.926 -6.496 1.00 0.00 C ATOM 761 OG SER A 51 9.979 -11.827 -7.015 1.00 0.00 O ATOM 0 HA SER A 51 9.868 -11.223 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.038 -11.132 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.274 -9.905 -6.765 1.00 0.00 H new ATOM 0 HG SER A 51 10.030 -11.729 -7.989 1.00 0.00 H new ATOM 767 N ALA A 52 8.519 -9.579 -3.088 1.00 0.00 N ATOM 768 CA ALA A 52 8.057 -8.386 -2.400 1.00 0.00 C ATOM 769 C ALA A 52 8.802 -7.166 -2.945 1.00 0.00 C ATOM 770 O ALA A 52 8.181 -6.183 -3.345 1.00 0.00 O ATOM 771 CB ALA A 52 8.249 -8.560 -0.891 1.00 0.00 C ATOM 0 H ALA A 52 8.981 -10.265 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 52 6.993 -8.229 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.902 -7.665 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.676 -9.422 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.306 -8.718 -0.674 1.00 0.00 H new ATOM 777 N PRO A 53 10.157 -7.274 -2.946 1.00 0.00 N ATOM 778 CA PRO A 53 10.994 -6.192 -3.436 1.00 0.00 C ATOM 779 C PRO A 53 10.965 -6.125 -4.965 1.00 0.00 C ATOM 780 O PRO A 53 12.012 -6.083 -5.608 1.00 0.00 O ATOM 781 CB PRO A 53 12.378 -6.482 -2.881 1.00 0.00 C ATOM 782 CG PRO A 53 12.372 -7.951 -2.492 1.00 0.00 C ATOM 783 CD PRO A 53 10.927 -8.424 -2.480 1.00 0.00 C ATOM 0 HA PRO A 53 10.646 -5.212 -3.110 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.148 -6.278 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.593 -5.851 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.959 -8.536 -3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.827 -8.088 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.787 -9.285 -3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.618 -8.728 -1.480 1.00 0.00 H new ATOM 791 N ALA A 54 9.753 -6.120 -5.501 1.00 0.00 N ATOM 792 CA ALA A 54 9.574 -6.059 -6.942 1.00 0.00 C ATOM 793 C ALA A 54 8.197 -5.469 -7.256 1.00 0.00 C ATOM 794 O ALA A 54 8.073 -4.601 -8.118 1.00 0.00 O ATOM 795 CB ALA A 54 9.758 -7.456 -7.539 1.00 0.00 C ATOM 0 H ALA A 54 8.887 -6.157 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 54 10.323 -5.409 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.624 -7.410 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.761 -7.819 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.021 -8.135 -7.110 1.00 0.00 H new ATOM 801 N LEU A 55 7.198 -5.963 -6.539 1.00 0.00 N ATOM 802 CA LEU A 55 5.837 -5.494 -6.729 1.00 0.00 C ATOM 803 C LEU A 55 5.767 -4.000 -6.413 1.00 0.00 C ATOM 804 O LEU A 55 4.849 -3.310 -6.855 1.00 0.00 O ATOM 805 CB LEU A 55 4.860 -6.342 -5.913 1.00 0.00 C ATOM 806 CG LEU A 55 4.510 -7.713 -6.497 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.688 -8.537 -5.505 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.806 -7.570 -7.847 1.00 0.00 C ATOM 0 H LEU A 55 7.305 -6.684 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 55 5.535 -5.613 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.281 -6.490 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.937 -5.777 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 55 5.438 -8.256 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.453 -9.506 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.262 -8.683 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.763 -8.010 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.568 -8.559 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.886 -7.000 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.461 -7.050 -8.546 1.00 0.00 H new ATOM 820 N SER A 56 6.749 -3.542 -5.651 1.00 0.00 N ATOM 821 CA SER A 56 6.810 -2.141 -5.270 1.00 0.00 C ATOM 822 C SER A 56 6.855 -1.261 -6.521 1.00 0.00 C ATOM 823 O SER A 56 7.453 -1.636 -7.527 1.00 0.00 O ATOM 824 CB SER A 56 8.026 -1.865 -4.383 1.00 0.00 C ATOM 825 OG SER A 56 9.134 -2.693 -4.721 1.00 0.00 O ATOM 0 H SER A 56 7.509 -4.116 -5.287 1.00 0.00 H new ATOM 0 HA SER A 56 5.914 -1.902 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.314 -0.818 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.757 -2.028 -3.339 1.00 0.00 H new ATOM 0 HG SER A 56 9.890 -2.484 -4.133 1.00 0.00 H new ATOM 831 N ASN A 57 6.213 -0.106 -6.415 1.00 0.00 N ATOM 832 CA ASN A 57 6.172 0.831 -7.524 1.00 0.00 C ATOM 833 C ASN A 57 6.428 2.245 -7.002 1.00 0.00 C ATOM 834 O ASN A 57 5.613 2.795 -6.263 1.00 0.00 O ATOM 835 CB ASN A 57 4.802 0.819 -8.204 1.00 0.00 C ATOM 836 CG ASN A 57 4.936 1.037 -9.713 1.00 0.00 C ATOM 837 OD1 ASN A 57 5.924 1.554 -10.207 1.00 0.00 O ATOM 838 ND2 ASN A 57 3.889 0.613 -10.416 1.00 0.00 N ATOM 0 H ASN A 57 5.717 0.201 -5.578 1.00 0.00 H new ATOM 0 HA ASN A 57 6.935 0.535 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.306 -0.133 -8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.172 1.598 -7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.882 0.712 -11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.093 0.189 -9.940 1.00 0.00 H new ATOM 845 N THR A 58 7.564 2.794 -7.406 1.00 0.00 N ATOM 846 CA THR A 58 7.938 4.135 -6.988 1.00 0.00 C ATOM 847 C THR A 58 7.408 5.172 -7.981 1.00 0.00 C ATOM 848 O THR A 58 7.959 6.265 -8.096 1.00 0.00 O ATOM 849 CB THR A 58 9.459 4.172 -6.824 1.00 0.00 C ATOM 850 OG1 THR A 58 9.729 5.506 -6.403 1.00 0.00 O ATOM 851 CG2 THR A 58 10.195 4.046 -8.160 1.00 0.00 C ATOM 0 H THR A 58 8.238 2.335 -8.019 1.00 0.00 H new ATOM 0 HA THR A 58 7.487 4.390 -6.029 1.00 0.00 H new ATOM 0 HB THR A 58 9.773 3.367 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.140 6.126 -6.881 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.271 4.078 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.931 3.100 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.908 4.870 -8.813 1.00 0.00 H new ATOM 859 N LYS A 59 6.346 4.790 -8.675 1.00 0.00 N ATOM 860 CA LYS A 59 5.735 5.672 -9.655 1.00 0.00 C ATOM 861 C LYS A 59 4.737 6.595 -8.952 1.00 0.00 C ATOM 862 O LYS A 59 3.527 6.408 -9.066 1.00 0.00 O ATOM 863 CB LYS A 59 5.123 4.861 -10.798 1.00 0.00 C ATOM 864 CG LYS A 59 5.620 5.364 -12.155 1.00 0.00 C ATOM 865 CD LYS A 59 4.693 4.906 -13.283 1.00 0.00 C ATOM 866 CE LYS A 59 5.177 5.428 -14.637 1.00 0.00 C ATOM 867 NZ LYS A 59 5.104 4.362 -15.660 1.00 0.00 N ATOM 0 H LYS A 59 5.893 3.881 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 59 6.489 6.310 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.380 3.808 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.036 4.930 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.676 6.453 -12.145 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.629 4.994 -12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.650 3.817 -13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.680 5.262 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.567 6.278 -14.945 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.203 5.787 -14.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.436 4.734 -16.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.704 3.563 -15.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.120 4.039 -15.755 1.00 0.00 H new ATOM 881 N LEU A 60 5.282 7.571 -8.240 1.00 0.00 N ATOM 882 CA LEU A 60 4.454 8.523 -7.519 1.00 0.00 C ATOM 883 C LEU A 60 3.410 9.109 -8.472 1.00 0.00 C ATOM 884 O LEU A 60 3.757 9.806 -9.424 1.00 0.00 O ATOM 885 CB LEU A 60 5.324 9.579 -6.835 1.00 0.00 C ATOM 886 CG LEU A 60 6.606 9.974 -7.574 1.00 0.00 C ATOM 887 CD1 LEU A 60 6.738 11.495 -7.667 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.833 9.330 -6.925 1.00 0.00 C ATOM 0 H LEU A 60 6.286 7.723 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 60 3.910 8.024 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.723 10.476 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.597 9.211 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 60 6.544 9.594 -8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.657 11.749 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.883 11.902 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.768 11.920 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.730 9.626 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.911 9.659 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.733 8.245 -6.954 1.00 0.00 H new ATOM 900 N ALA A 61 2.154 8.805 -8.182 1.00 0.00 N ATOM 901 CA ALA A 61 1.058 9.293 -9.002 1.00 0.00 C ATOM 902 C ALA A 61 0.563 10.627 -8.440 1.00 0.00 C ATOM 903 O ALA A 61 -0.025 10.671 -7.361 1.00 0.00 O ATOM 904 CB ALA A 61 -0.048 8.237 -9.057 1.00 0.00 C ATOM 0 H ALA A 61 1.871 8.227 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 61 1.392 9.469 -10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.870 8.603 -9.672 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.348 7.318 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.410 8.037 -8.049 1.00 0.00 H new ATOM 910 N ILE A 62 0.819 11.683 -9.199 1.00 0.00 N ATOM 911 CA ILE A 62 0.407 13.016 -8.790 1.00 0.00 C ATOM 912 C ILE A 62 -1.102 13.164 -8.998 1.00 0.00 C ATOM 913 O ILE A 62 -1.818 13.588 -8.092 1.00 0.00 O ATOM 914 CB ILE A 62 1.235 14.079 -9.515 1.00 0.00 C ATOM 915 CG1 ILE A 62 2.728 13.748 -9.452 1.00 0.00 C ATOM 916 CG2 ILE A 62 0.933 15.475 -8.968 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.290 14.016 -8.054 1.00 0.00 C ATOM 0 H ILE A 62 1.306 11.643 -10.094 1.00 0.00 H new ATOM 0 HA ILE A 62 0.600 13.166 -7.728 1.00 0.00 H new ATOM 0 HB ILE A 62 0.949 14.077 -10.567 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.884 12.702 -9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.268 14.346 -10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.534 16.212 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.124 15.700 -9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.173 15.509 -7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.352 13.773 -8.036 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.154 15.068 -7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.764 13.398 -7.326 1.00 0.00 H new ATOM 929 N ALA A 63 -1.540 12.807 -10.196 1.00 0.00 N ATOM 930 CA ALA A 63 -2.949 12.895 -10.535 1.00 0.00 C ATOM 931 C ALA A 63 -3.743 11.927 -9.655 1.00 0.00 C ATOM 932 O ALA A 63 -3.578 10.712 -9.758 1.00 0.00 O ATOM 933 CB ALA A 63 -3.135 12.612 -12.027 1.00 0.00 C ATOM 0 H ALA A 63 -0.943 12.456 -10.945 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.327 13.900 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.193 12.678 -12.281 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.576 13.345 -12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.769 11.611 -12.256 1.00 0.00 H new ATOM 939 N PRO A 64 -4.608 12.516 -8.787 1.00 0.00 N ATOM 940 CA PRO A 64 -5.426 11.718 -7.889 1.00 0.00 C ATOM 941 C PRO A 64 -6.580 11.055 -8.644 1.00 0.00 C ATOM 942 O PRO A 64 -7.167 11.657 -9.542 1.00 0.00 O ATOM 943 CB PRO A 64 -5.897 12.689 -6.819 1.00 0.00 C ATOM 944 CG PRO A 64 -5.711 14.078 -7.406 1.00 0.00 C ATOM 945 CD PRO A 64 -4.829 13.951 -8.636 1.00 0.00 C ATOM 0 HA PRO A 64 -4.876 10.890 -7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.941 12.510 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.318 12.571 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.675 14.512 -7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.252 14.743 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.315 14.372 -9.517 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.888 14.485 -8.505 1.00 0.00 H new ATOM 953 N GLY A 65 -6.872 9.823 -8.251 1.00 0.00 N ATOM 954 CA GLY A 65 -7.945 9.072 -8.879 1.00 0.00 C ATOM 955 C GLY A 65 -7.948 7.618 -8.404 1.00 0.00 C ATOM 956 O GLY A 65 -8.812 7.216 -7.626 1.00 0.00 O ATOM 0 H GLY A 65 -6.384 9.327 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.903 9.536 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.830 9.104 -9.962 1.00 0.00 H new ATOM 960 N SER A 66 -6.970 6.868 -8.891 1.00 0.00 N ATOM 961 CA SER A 66 -6.849 5.466 -8.525 1.00 0.00 C ATOM 962 C SER A 66 -5.553 4.887 -9.095 1.00 0.00 C ATOM 963 O SER A 66 -5.464 4.612 -10.291 1.00 0.00 O ATOM 964 CB SER A 66 -8.052 4.662 -9.019 1.00 0.00 C ATOM 965 OG SER A 66 -7.847 3.258 -8.889 1.00 0.00 O ATOM 0 H SER A 66 -6.254 7.204 -9.535 1.00 0.00 H new ATOM 0 HA SER A 66 -6.823 5.397 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.938 4.952 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.246 4.905 -10.064 1.00 0.00 H new ATOM 0 HG SER A 66 -8.639 2.780 -9.214 1.00 0.00 H new ATOM 971 N PHE A 67 -4.579 4.720 -8.212 1.00 0.00 N ATOM 972 CA PHE A 67 -3.291 4.178 -8.613 1.00 0.00 C ATOM 973 C PHE A 67 -3.467 2.958 -9.518 1.00 0.00 C ATOM 974 O PHE A 67 -3.328 3.059 -10.736 1.00 0.00 O ATOM 975 CB PHE A 67 -2.569 3.749 -7.334 1.00 0.00 C ATOM 976 CG PHE A 67 -1.360 4.618 -6.981 1.00 0.00 C ATOM 977 CD1 PHE A 67 -1.533 5.930 -6.670 1.00 0.00 C ATOM 978 CD2 PHE A 67 -0.112 4.078 -6.978 1.00 0.00 C ATOM 979 CE1 PHE A 67 -0.412 6.737 -6.342 1.00 0.00 C ATOM 980 CE2 PHE A 67 1.010 4.883 -6.650 1.00 0.00 C ATOM 981 CZ PHE A 67 0.836 6.197 -6.339 1.00 0.00 C ATOM 0 H PHE A 67 -4.656 4.950 -7.221 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.728 4.929 -9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.276 3.773 -6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.241 2.715 -7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.524 6.359 -6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.026 3.036 -7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.550 7.779 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.001 4.454 -6.647 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.689 6.811 -6.090 1.00 0.00 H new ATOM 991 N TYR A 68 -3.771 1.832 -8.889 1.00 0.00 N ATOM 992 CA TYR A 68 -3.967 0.593 -9.622 1.00 0.00 C ATOM 993 C TYR A 68 -4.257 -0.568 -8.670 1.00 0.00 C ATOM 994 O TYR A 68 -4.232 -0.398 -7.452 1.00 0.00 O ATOM 995 CB TYR A 68 -2.650 0.322 -10.352 1.00 0.00 C ATOM 996 CG TYR A 68 -1.408 0.477 -9.472 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.234 -0.339 -8.374 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.460 1.434 -9.778 1.00 0.00 C ATOM 999 CE1 TYR A 68 -0.065 -0.193 -7.546 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.708 1.580 -8.951 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.849 0.759 -7.875 1.00 0.00 C ATOM 1002 OH TYR A 68 1.954 0.897 -7.093 1.00 0.00 O ATOM 0 H TYR A 68 -3.886 1.752 -7.879 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.813 0.681 -10.304 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.672 -0.690 -10.757 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.569 1.003 -11.200 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.975 -1.088 -8.135 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.596 2.073 -10.638 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.083 -0.825 -6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.456 2.325 -9.179 1.00 0.00 H new ATOM 0 HH TYR A 68 2.007 1.817 -6.760 1.00 0.00 H new ATOM 1012 N SER A 69 -4.526 -1.723 -9.261 1.00 0.00 N ATOM 1013 CA SER A 69 -4.820 -2.912 -8.480 1.00 0.00 C ATOM 1014 C SER A 69 -3.796 -4.007 -8.787 1.00 0.00 C ATOM 1015 O SER A 69 -3.137 -3.972 -9.825 1.00 0.00 O ATOM 1016 CB SER A 69 -6.237 -3.418 -8.760 1.00 0.00 C ATOM 1017 OG SER A 69 -6.749 -2.917 -9.992 1.00 0.00 O ATOM 0 H SER A 69 -4.546 -1.860 -10.271 1.00 0.00 H new ATOM 0 HA SER A 69 -4.758 -2.651 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.235 -4.508 -8.785 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.896 -3.119 -7.945 1.00 0.00 H new ATOM 0 HG SER A 69 -7.654 -3.264 -10.135 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.693 -4.952 -7.864 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.760 -6.054 -8.022 1.00 0.00 C ATOM 1025 C VAL A 70 -3.297 -7.282 -7.284 1.00 0.00 C ATOM 1026 O VAL A 70 -3.789 -7.170 -6.162 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.368 -5.634 -7.548 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.712 -4.680 -8.549 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.429 -5.006 -6.154 1.00 0.00 C ATOM 0 H VAL A 70 -4.241 -4.977 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.663 -6.323 -9.074 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.752 -6.531 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.277 -4.397 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.617 -5.175 -9.515 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.328 -3.787 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.426 -4.716 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.070 -4.125 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.835 -5.729 -5.447 1.00 0.00 H new ATOM 1039 N THR A 71 -3.185 -8.425 -7.943 1.00 0.00 N ATOM 1040 CA THR A 71 -3.653 -9.673 -7.363 1.00 0.00 C ATOM 1041 C THR A 71 -2.491 -10.432 -6.720 1.00 0.00 C ATOM 1042 O THR A 71 -1.378 -10.429 -7.243 1.00 0.00 O ATOM 1043 CB THR A 71 -4.364 -10.467 -8.461 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.663 -9.886 -8.525 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.624 -11.920 -8.057 1.00 0.00 C ATOM 0 H THR A 71 -2.777 -8.514 -8.874 1.00 0.00 H new ATOM 0 HA THR A 71 -4.366 -9.492 -6.559 1.00 0.00 H new ATOM 0 HB THR A 71 -3.764 -10.445 -9.371 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.191 -10.341 -9.213 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.130 -12.439 -8.871 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.676 -12.414 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.252 -11.943 -7.166 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.789 -11.063 -5.594 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.783 -11.824 -4.873 1.00 0.00 C ATOM 1055 C LEU A 72 -2.328 -13.221 -4.569 1.00 0.00 C ATOM 1056 O LEU A 72 -3.503 -13.497 -4.803 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.321 -11.060 -3.631 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.444 -9.832 -3.887 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -0.309 -8.982 -2.622 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.918 -10.239 -4.451 1.00 0.00 C ATOM 0 H LEU A 72 -3.713 -11.063 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.892 -11.956 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.203 -10.742 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.770 -11.748 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.933 -9.214 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.319 -8.116 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.295 -8.646 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.146 -9.577 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.521 -9.348 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.427 -10.889 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.778 -10.770 -5.392 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.447 -14.064 -4.051 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.825 -15.426 -3.711 1.00 0.00 C ATOM 1074 C GLY A 73 -1.023 -15.935 -2.512 1.00 0.00 C ATOM 1075 O GLY A 73 -1.596 -16.436 -1.546 1.00 0.00 O ATOM 0 H GLY A 73 -0.473 -13.831 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.890 -15.465 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.658 -16.078 -4.568 1.00 0.00 H new ATOM 1079 N THR A 74 0.289 -15.787 -2.612 1.00 0.00 N ATOM 1080 CA THR A 74 1.175 -16.226 -1.547 1.00 0.00 C ATOM 1081 C THR A 74 0.589 -15.862 -0.182 1.00 0.00 C ATOM 1082 O THR A 74 0.310 -14.695 0.087 1.00 0.00 O ATOM 1083 CB THR A 74 2.556 -15.614 -1.798 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.123 -16.441 -2.809 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.496 -15.784 -0.604 1.00 0.00 C ATOM 0 H THR A 74 0.761 -15.369 -3.414 1.00 0.00 H new ATOM 0 HA THR A 74 1.280 -17.311 -1.542 1.00 0.00 H new ATOM 0 HB THR A 74 2.448 -14.554 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.019 -16.115 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.461 -15.333 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.066 -15.295 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.632 -16.845 -0.396 1.00 0.00 H new ATOM 1093 N PRO A 75 0.413 -16.911 0.666 1.00 0.00 N ATOM 1094 CA PRO A 75 -0.136 -16.714 1.997 1.00 0.00 C ATOM 1095 C PRO A 75 0.901 -16.088 2.931 1.00 0.00 C ATOM 1096 O PRO A 75 2.084 -16.423 2.866 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.583 -18.095 2.446 1.00 0.00 C ATOM 1098 CG PRO A 75 0.150 -19.083 1.552 1.00 0.00 C ATOM 1099 CD PRO A 75 0.731 -18.307 0.381 1.00 0.00 C ATOM 0 HA PRO A 75 -0.973 -16.016 2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.339 -18.262 3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.663 -18.207 2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.942 -19.586 2.107 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.532 -19.856 1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.807 -18.459 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.292 -18.628 -0.564 1.00 0.00 H new ATOM 1107 N GLY A 76 0.423 -15.189 3.778 1.00 0.00 N ATOM 1108 CA GLY A 76 1.295 -14.512 4.724 1.00 0.00 C ATOM 1109 C GLY A 76 0.897 -13.044 4.883 1.00 0.00 C ATOM 1110 O GLY A 76 -0.064 -12.587 4.265 1.00 0.00 O ATOM 0 H GLY A 76 -0.558 -14.913 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.246 -15.012 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.328 -14.577 4.383 1.00 0.00 H new ATOM 1114 N THR A 77 1.655 -12.346 5.715 1.00 0.00 N ATOM 1115 CA THR A 77 1.395 -10.937 5.962 1.00 0.00 C ATOM 1116 C THR A 77 2.409 -10.068 5.217 1.00 0.00 C ATOM 1117 O THR A 77 3.616 -10.260 5.356 1.00 0.00 O ATOM 1118 CB THR A 77 1.399 -10.716 7.476 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.233 -11.397 7.930 1.00 0.00 O ATOM 1120 CG2 THR A 77 1.148 -9.254 7.854 1.00 0.00 C ATOM 0 H THR A 77 2.450 -12.729 6.227 1.00 0.00 H new ATOM 0 HA THR A 77 0.419 -10.641 5.578 1.00 0.00 H new ATOM 0 HB THR A 77 2.355 -11.039 7.888 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.565 -10.904 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.161 -9.151 8.939 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.928 -8.627 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.177 -8.941 7.471 1.00 0.00 H new ATOM 1128 N TYR A 78 1.882 -9.129 4.445 1.00 0.00 N ATOM 1129 CA TYR A 78 2.726 -8.230 3.678 1.00 0.00 C ATOM 1130 C TYR A 78 2.811 -6.855 4.344 1.00 0.00 C ATOM 1131 O TYR A 78 1.798 -6.312 4.784 1.00 0.00 O ATOM 1132 CB TYR A 78 2.053 -8.081 2.312 1.00 0.00 C ATOM 1133 CG TYR A 78 2.186 -9.312 1.414 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.710 -10.534 1.844 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.784 -9.202 0.176 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.836 -11.694 0.999 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.910 -10.362 -0.669 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.430 -11.550 -0.216 1.00 0.00 C ATOM 1139 OH TYR A 78 2.549 -12.644 -1.014 1.00 0.00 O ATOM 0 H TYR A 78 0.880 -8.972 4.334 1.00 0.00 H new ATOM 0 HA TYR A 78 3.739 -8.625 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.995 -7.866 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.484 -7.221 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.243 -10.621 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.158 -8.246 -0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.467 -12.656 1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.376 -10.289 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 78 2.992 -12.392 -1.851 1.00 0.00 H new ATOM 1149 N SER A 79 4.027 -6.332 4.399 1.00 0.00 N ATOM 1150 CA SER A 79 4.256 -5.032 5.004 1.00 0.00 C ATOM 1151 C SER A 79 4.722 -4.034 3.942 1.00 0.00 C ATOM 1152 O SER A 79 5.439 -4.402 3.013 1.00 0.00 O ATOM 1153 CB SER A 79 5.284 -5.124 6.134 1.00 0.00 C ATOM 1154 OG SER A 79 5.072 -6.267 6.958 1.00 0.00 O ATOM 0 H SER A 79 4.864 -6.786 4.034 1.00 0.00 H new ATOM 0 HA SER A 79 3.316 -4.684 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.287 -5.165 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.233 -4.223 6.745 1.00 0.00 H new ATOM 0 HG SER A 79 5.749 -6.290 7.666 1.00 0.00 H new ATOM 1160 N PHE A 80 4.296 -2.792 4.115 1.00 0.00 N ATOM 1161 CA PHE A 80 4.661 -1.739 3.183 1.00 0.00 C ATOM 1162 C PHE A 80 4.583 -0.364 3.850 1.00 0.00 C ATOM 1163 O PHE A 80 4.232 -0.259 5.024 1.00 0.00 O ATOM 1164 CB PHE A 80 3.655 -1.792 2.032 1.00 0.00 C ATOM 1165 CG PHE A 80 2.204 -1.979 2.482 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.723 -3.228 2.724 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.397 -0.897 2.639 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.377 -3.402 3.142 1.00 0.00 C ATOM 1169 CE2 PHE A 80 0.050 -1.070 3.057 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.431 -2.318 3.299 1.00 0.00 C ATOM 0 H PHE A 80 3.701 -2.491 4.887 1.00 0.00 H new ATOM 0 HA PHE A 80 5.684 -1.887 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.730 -0.870 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.926 -2.609 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.365 -4.088 2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.779 0.094 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.005 -4.394 3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.591 -0.210 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.455 -2.450 3.616 1.00 0.00 H new ATOM 1180 N TYR A 81 4.915 0.656 3.072 1.00 0.00 N ATOM 1181 CA TYR A 81 4.887 2.019 3.573 1.00 0.00 C ATOM 1182 C TYR A 81 4.692 3.019 2.431 1.00 0.00 C ATOM 1183 O TYR A 81 4.487 2.624 1.284 1.00 0.00 O ATOM 1184 CB TYR A 81 6.254 2.259 4.218 1.00 0.00 C ATOM 1185 CG TYR A 81 7.426 1.678 3.426 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.844 0.383 3.663 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.067 2.445 2.476 1.00 0.00 C ATOM 1188 CE1 TYR A 81 8.947 -0.165 2.919 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.171 1.897 1.731 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.556 0.619 1.989 1.00 0.00 C ATOM 1191 OH TYR A 81 10.599 0.101 1.286 1.00 0.00 O ATOM 0 H TYR A 81 5.205 0.565 2.098 1.00 0.00 H new ATOM 0 HA TYR A 81 4.064 2.153 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.405 3.332 4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.254 1.825 5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.343 -0.218 4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.741 3.458 2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.284 -1.176 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.681 2.488 0.985 1.00 0.00 H new ATOM 0 HH TYR A 81 10.316 -0.725 0.841 1.00 0.00 H new ATOM 1201 N CYS A 82 4.763 4.294 2.785 1.00 0.00 N ATOM 1202 CA CYS A 82 4.596 5.352 1.803 1.00 0.00 C ATOM 1203 C CYS A 82 5.740 6.354 1.979 1.00 0.00 C ATOM 1204 O CYS A 82 5.705 7.189 2.883 1.00 0.00 O ATOM 1205 CB CYS A 82 3.227 6.024 1.922 1.00 0.00 C ATOM 1206 SG CYS A 82 3.045 7.573 0.964 1.00 0.00 S ATOM 0 H CYS A 82 4.934 4.618 3.737 1.00 0.00 H new ATOM 0 HA CYS A 82 4.634 4.929 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.463 5.319 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.034 6.239 2.973 1.00 0.00 H new ATOM 0 HG CYS A 82 3.509 8.570 1.658 1.00 0.00 H new ATOM 1211 N THR A 83 6.727 6.238 1.103 1.00 0.00 N ATOM 1212 CA THR A 83 7.878 7.123 1.150 1.00 0.00 C ATOM 1213 C THR A 83 7.470 8.501 1.676 1.00 0.00 C ATOM 1214 O THR A 83 7.982 8.955 2.698 1.00 0.00 O ATOM 1215 CB THR A 83 8.499 7.165 -0.247 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.659 6.344 -0.138 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.053 8.547 -0.601 1.00 0.00 C ATOM 0 H THR A 83 6.753 5.544 0.356 1.00 0.00 H new ATOM 0 HA THR A 83 8.632 6.755 1.846 1.00 0.00 H new ATOM 0 HB THR A 83 7.751 6.874 -0.984 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.121 6.315 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.482 8.521 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.248 9.281 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.824 8.825 0.117 1.00 0.00 H new ATOM 1225 N PRO A 84 6.529 9.144 0.934 1.00 0.00 N ATOM 1226 CA PRO A 84 6.047 10.461 1.315 1.00 0.00 C ATOM 1227 C PRO A 84 5.095 10.372 2.509 1.00 0.00 C ATOM 1228 O PRO A 84 4.142 9.595 2.491 1.00 0.00 O ATOM 1229 CB PRO A 84 5.383 11.013 0.065 1.00 0.00 C ATOM 1230 CG PRO A 84 5.105 9.812 -0.826 1.00 0.00 C ATOM 1231 CD PRO A 84 5.901 8.636 -0.283 1.00 0.00 C ATOM 0 HA PRO A 84 6.847 11.122 1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.460 11.537 0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.032 11.730 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.040 9.581 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.393 10.025 -1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.254 7.785 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.647 8.297 -1.002 1.00 0.00 H new ATOM 1239 N HIS A 85 5.386 11.178 3.519 1.00 0.00 N ATOM 1240 CA HIS A 85 4.567 11.200 4.719 1.00 0.00 C ATOM 1241 C HIS A 85 5.064 10.135 5.698 1.00 0.00 C ATOM 1242 O HIS A 85 4.545 10.016 6.807 1.00 0.00 O ATOM 1243 CB HIS A 85 3.087 11.041 4.370 1.00 0.00 C ATOM 1244 CG HIS A 85 2.703 11.639 3.037 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.063 10.913 2.047 1.00 0.00 N ATOM 1246 CD2 HIS A 85 2.872 12.898 2.543 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.863 11.710 1.008 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.366 12.940 1.317 1.00 0.00 N ATOM 0 H HIS A 85 6.178 11.821 3.531 1.00 0.00 H new ATOM 0 HA HIS A 85 4.661 12.168 5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.837 9.980 4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.488 11.507 5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.339 13.722 3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.386 11.434 0.079 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.355 13.757 0.706 1.00 0.00 H new ATOM 1256 N ARG A 86 6.063 9.387 5.253 1.00 0.00 N ATOM 1257 CA ARG A 86 6.635 8.336 6.077 1.00 0.00 C ATOM 1258 C ARG A 86 6.704 8.784 7.537 1.00 0.00 C ATOM 1259 O ARG A 86 6.221 8.086 8.428 1.00 0.00 O ATOM 1260 CB ARG A 86 8.039 7.963 5.597 1.00 0.00 C ATOM 1261 CG ARG A 86 8.070 6.538 5.042 1.00 0.00 C ATOM 1262 CD ARG A 86 9.446 6.204 4.463 1.00 0.00 C ATOM 1263 NE ARG A 86 10.141 5.234 5.338 1.00 0.00 N ATOM 1264 CZ ARG A 86 10.895 5.579 6.391 1.00 0.00 C ATOM 1265 NH1 ARG A 86 11.055 6.870 6.707 1.00 0.00 N ATOM 1266 NH2 ARG A 86 11.489 4.631 7.129 1.00 0.00 N ATOM 0 H ARG A 86 6.491 9.488 4.333 1.00 0.00 H new ATOM 0 HA ARG A 86 5.990 7.461 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.362 8.664 4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.744 8.050 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.823 5.830 5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.310 6.429 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.337 5.789 3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.041 7.113 4.369 1.00 0.00 H new ATOM 0 HE ARG A 86 10.040 4.241 5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.603 7.592 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.629 7.131 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.367 3.647 6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.063 4.893 7.930 1.00 0.00 H new ATOM 1280 N GLY A 87 7.309 9.945 7.739 1.00 0.00 N ATOM 1281 CA GLY A 87 7.448 10.494 9.077 1.00 0.00 C ATOM 1282 C GLY A 87 6.089 10.908 9.644 1.00 0.00 C ATOM 1283 O GLY A 87 5.849 10.788 10.844 1.00 0.00 O ATOM 0 H GLY A 87 7.709 10.521 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.909 9.754 9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.114 11.357 9.053 1.00 0.00 H new ATOM 1287 N ALA A 88 5.232 11.387 8.753 1.00 0.00 N ATOM 1288 CA ALA A 88 3.903 11.819 9.149 1.00 0.00 C ATOM 1289 C ALA A 88 3.139 10.629 9.736 1.00 0.00 C ATOM 1290 O ALA A 88 2.106 10.807 10.379 1.00 0.00 O ATOM 1291 CB ALA A 88 3.187 12.436 7.946 1.00 0.00 C ATOM 0 H ALA A 88 5.433 11.485 7.758 1.00 0.00 H new ATOM 0 HA ALA A 88 3.962 12.586 9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.190 12.760 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.755 13.294 7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.106 11.694 7.151 1.00 0.00 H new ATOM 1297 N GLY A 89 3.677 9.443 9.492 1.00 0.00 N ATOM 1298 CA GLY A 89 3.059 8.225 9.988 1.00 0.00 C ATOM 1299 C GLY A 89 2.088 7.645 8.959 1.00 0.00 C ATOM 1300 O GLY A 89 0.908 7.994 8.946 1.00 0.00 O ATOM 0 H GLY A 89 4.534 9.300 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.830 7.490 10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.528 8.434 10.917 1.00 0.00 H new ATOM 1304 N MET A 90 2.618 6.767 8.120 1.00 0.00 N ATOM 1305 CA MET A 90 1.813 6.135 7.089 1.00 0.00 C ATOM 1306 C MET A 90 2.308 4.716 6.799 1.00 0.00 C ATOM 1307 O MET A 90 3.208 4.524 5.983 1.00 0.00 O ATOM 1308 CB MET A 90 1.876 6.970 5.808 1.00 0.00 C ATOM 1309 CG MET A 90 0.867 6.465 4.775 1.00 0.00 C ATOM 1310 SD MET A 90 0.094 7.847 3.950 1.00 0.00 S ATOM 1311 CE MET A 90 -0.402 7.060 2.427 1.00 0.00 C ATOM 0 H MET A 90 3.596 6.478 8.133 1.00 0.00 H new ATOM 0 HA MET A 90 0.784 6.075 7.444 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.672 8.015 6.040 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.882 6.927 5.391 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.369 5.829 4.045 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.109 5.853 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.237 7.608 1.989 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.436 7.057 1.730 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.708 6.034 2.631 1.00 0.00 H new ATOM 1321 N VAL A 91 1.699 3.760 7.484 1.00 0.00 N ATOM 1322 CA VAL A 91 2.066 2.365 7.310 1.00 0.00 C ATOM 1323 C VAL A 91 0.799 1.525 7.143 1.00 0.00 C ATOM 1324 O VAL A 91 -0.240 1.842 7.720 1.00 0.00 O ATOM 1325 CB VAL A 91 2.940 1.905 8.479 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.370 2.426 8.334 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.333 2.332 9.817 1.00 0.00 C ATOM 0 H VAL A 91 0.954 3.924 8.161 1.00 0.00 H new ATOM 0 HA VAL A 91 2.661 2.236 6.406 1.00 0.00 H new ATOM 0 HB VAL A 91 2.978 0.816 8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.969 2.084 9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.802 2.050 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.360 3.516 8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.973 1.993 10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.250 3.418 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.343 1.889 9.925 1.00 0.00 H new ATOM 1337 N GLY A 92 0.927 0.471 6.352 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.197 -0.418 6.102 1.00 0.00 C ATOM 1339 C GLY A 92 0.277 -1.861 5.916 1.00 0.00 C ATOM 1340 O GLY A 92 1.419 -2.098 5.524 1.00 0.00 O ATOM 0 H GLY A 92 1.791 0.211 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.899 -0.366 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.734 -0.090 5.212 1.00 0.00 H new ATOM 1344 N THR A 93 -0.625 -2.788 6.206 1.00 0.00 N ATOM 1345 CA THR A 93 -0.313 -4.201 6.076 1.00 0.00 C ATOM 1346 C THR A 93 -1.379 -4.906 5.235 1.00 0.00 C ATOM 1347 O THR A 93 -2.500 -4.417 5.110 1.00 0.00 O ATOM 1348 CB THR A 93 -0.165 -4.784 7.483 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.387 -3.714 8.245 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.901 -5.880 7.553 1.00 0.00 C ATOM 0 H THR A 93 -1.571 -2.588 6.530 1.00 0.00 H new ATOM 0 HA THR A 93 0.627 -4.352 5.546 1.00 0.00 H new ATOM 0 HB THR A 93 -1.123 -5.187 7.812 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.515 -4.005 9.172 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.966 -6.260 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.631 -6.693 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.866 -5.468 7.257 1.00 0.00 H new ATOM 1358 N ILE A 94 -0.991 -6.045 4.680 1.00 0.00 N ATOM 1359 CA ILE A 94 -1.899 -6.824 3.855 1.00 0.00 C ATOM 1360 C ILE A 94 -1.656 -8.314 4.101 1.00 0.00 C ATOM 1361 O ILE A 94 -0.537 -8.799 3.941 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.772 -6.414 2.386 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.294 -4.992 2.167 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.465 -7.427 1.473 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -1.790 -4.424 0.838 1.00 0.00 C ATOM 0 H ILE A 94 -0.060 -6.447 4.786 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.934 -6.621 4.131 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.715 -6.413 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.384 -4.995 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.970 -4.351 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.360 -7.112 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.007 -8.407 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.523 -7.484 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.175 -3.413 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.700 -4.400 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.136 -5.054 0.019 1.00 0.00 H new ATOM 1377 N THR A 95 -2.722 -8.998 4.489 1.00 0.00 N ATOM 1378 CA THR A 95 -2.639 -10.424 4.758 1.00 0.00 C ATOM 1379 C THR A 95 -3.367 -11.216 3.671 1.00 0.00 C ATOM 1380 O THR A 95 -4.370 -10.754 3.129 1.00 0.00 O ATOM 1381 CB THR A 95 -3.190 -10.672 6.164 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.341 -9.901 7.010 1.00 0.00 O ATOM 1383 CG2 THR A 95 -2.974 -12.113 6.632 1.00 0.00 C ATOM 0 H THR A 95 -3.648 -8.592 4.624 1.00 0.00 H new ATOM 0 HA THR A 95 -1.606 -10.772 4.732 1.00 0.00 H new ATOM 0 HB THR A 95 -4.255 -10.440 6.183 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.628 -10.002 7.942 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.383 -12.235 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.478 -12.797 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.907 -12.335 6.646 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.835 -12.396 3.386 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.422 -13.257 2.373 1.00 0.00 C ATOM 1393 C VAL A 96 -3.662 -14.646 2.969 1.00 0.00 C ATOM 1394 O VAL A 96 -2.917 -15.583 2.688 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.532 -13.285 1.130 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.780 -14.550 0.306 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.735 -12.029 0.281 1.00 0.00 C ATOM 0 H VAL A 96 -2.004 -12.776 3.839 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.389 -12.868 2.054 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.494 -13.300 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.134 -14.545 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.560 -15.428 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.823 -14.580 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.090 -12.075 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.776 -11.969 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.484 -11.147 0.870 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.706 -14.735 3.780 1.00 0.00 N ATOM 1408 CA GLU A 97 -5.054 -15.994 4.417 1.00 0.00 C ATOM 1409 C GLU A 97 -5.738 -16.925 3.413 1.00 0.00 C ATOM 1410 O GLU A 97 -6.184 -18.013 3.775 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.939 -15.762 5.642 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.268 -16.291 6.912 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.859 -15.632 8.160 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -6.092 -14.404 8.097 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -6.065 -16.369 9.148 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.800 -16.463 2.173 1.00 0.00 O ATOM 0 H GLU A 97 -5.322 -13.956 4.011 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.136 -16.472 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.143 -14.697 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.899 -16.258 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.396 -17.372 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.196 -16.099 6.868 1.00 0.00 H new