USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 27 GLN : amide:sc= -1.74! C(o=-1.7!,f=-3.5!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.019 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -150:sc= -0.925 USER MOD Single : A 36 CYS SG : rot -70:sc= -0.414 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 41 SER OG : rot -43:sc= 1.34 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.48) USER MOD Single : A 49 GLN : amide:sc= -1.85! C(o=-1.8!,f=-6.5!) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= -1.28 (180deg=-1.43) USER MOD Single : A 59 SER OG : rot -55:sc= 0.198 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.28) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 54:sc= -0.186 USER MOD Single : A 80 ASN : amide:sc= -0.221 K(o=-0.22,f=-0.88) USER MOD Single : A 83 THR OG1 : rot -93:sc= 0.511 USER MOD Single : A 87 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.0012) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.24) USER MOD Single : A 98 HIS :FLIP no HD1:sc=-0.000949 F(o=-0.7,f=-0.00095) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 111 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -14.608 -13.543 2.467 1.00 0.00 N ATOM 2 CA MET A 9 -15.622 -13.827 1.413 1.00 0.00 C ATOM 3 C MET A 9 -14.986 -13.828 0.029 1.00 0.00 C ATOM 4 O MET A 9 -14.218 -12.925 -0.308 1.00 0.00 O ATOM 5 CB MET A 9 -16.727 -12.764 1.486 1.00 0.00 C ATOM 6 CG MET A 9 -17.555 -12.830 2.762 1.00 0.00 C ATOM 7 SD MET A 9 -17.135 -11.526 3.934 1.00 0.00 S ATOM 8 CE MET A 9 -16.570 -12.495 5.332 1.00 0.00 C ATOM 0 HA MET A 9 -16.046 -14.816 1.585 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.274 -11.776 1.408 1.00 0.00 H new ATOM 0 HB3 MET A 9 -17.388 -12.880 0.627 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.612 -12.757 2.508 1.00 0.00 H new ATOM 0 HG3 MET A 9 -17.407 -13.800 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.274 -11.828 6.141 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.376 -13.145 5.674 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.716 -13.103 5.032 1.00 0.00 H new ATOM 18 N SER A 10 -15.316 -14.839 -0.774 1.00 0.00 N ATOM 19 CA SER A 10 -14.782 -14.949 -2.132 1.00 0.00 C ATOM 20 C SER A 10 -15.057 -13.678 -2.934 1.00 0.00 C ATOM 21 O SER A 10 -14.265 -13.303 -3.800 1.00 0.00 O ATOM 22 CB SER A 10 -15.386 -16.154 -2.855 1.00 0.00 C ATOM 23 OG SER A 10 -16.803 -16.120 -2.807 1.00 0.00 O ATOM 0 H SER A 10 -15.950 -15.593 -0.509 1.00 0.00 H new ATOM 0 HA SER A 10 -13.704 -15.086 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.054 -16.163 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.025 -17.075 -2.397 1.00 0.00 H new ATOM 0 HG SER A 10 -17.165 -16.900 -3.277 1.00 0.00 H new ATOM 29 N ALA A 11 -16.182 -13.019 -2.633 1.00 0.00 N ATOM 30 CA ALA A 11 -16.565 -11.785 -3.319 1.00 0.00 C ATOM 31 C ALA A 11 -15.463 -10.727 -3.236 1.00 0.00 C ATOM 32 O ALA A 11 -15.349 -9.875 -4.115 1.00 0.00 O ATOM 33 CB ALA A 11 -17.867 -11.238 -2.748 1.00 0.00 C ATOM 0 H ALA A 11 -16.842 -13.322 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.714 -12.028 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.136 -10.320 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.659 -11.975 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -17.738 -11.027 -1.686 1.00 0.00 H new ATOM 39 N PHE A 12 -14.649 -10.789 -2.180 1.00 0.00 N ATOM 40 CA PHE A 12 -13.554 -9.842 -2.002 1.00 0.00 C ATOM 41 C PHE A 12 -12.200 -10.511 -2.247 1.00 0.00 C ATOM 42 O PHE A 12 -11.301 -9.901 -2.826 1.00 0.00 O ATOM 43 CB PHE A 12 -13.588 -9.235 -0.596 1.00 0.00 C ATOM 44 CG PHE A 12 -14.236 -7.878 -0.535 1.00 0.00 C ATOM 45 CD1 PHE A 12 -13.758 -6.825 -1.303 1.00 0.00 C ATOM 46 CD2 PHE A 12 -15.322 -7.654 0.297 1.00 0.00 C ATOM 47 CE1 PHE A 12 -14.353 -5.579 -1.243 1.00 0.00 C ATOM 48 CE2 PHE A 12 -15.919 -6.408 0.360 1.00 0.00 C ATOM 49 CZ PHE A 12 -15.434 -5.369 -0.411 1.00 0.00 C ATOM 0 H PHE A 12 -14.730 -11.485 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.683 -9.046 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -14.123 -9.913 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.568 -9.157 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.911 -6.981 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.706 -8.461 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.972 -4.769 -1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.765 -6.247 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.899 -4.396 -0.363 1.00 0.00 H new ATOM 59 N VAL A 13 -12.052 -11.765 -1.806 1.00 0.00 N ATOM 60 CA VAL A 13 -10.797 -12.502 -1.983 1.00 0.00 C ATOM 61 C VAL A 13 -10.465 -12.684 -3.465 1.00 0.00 C ATOM 62 O VAL A 13 -9.400 -12.270 -3.926 1.00 0.00 O ATOM 63 CB VAL A 13 -10.845 -13.892 -1.301 1.00 0.00 C ATOM 64 CG1 VAL A 13 -9.482 -14.569 -1.362 1.00 0.00 C ATOM 65 CG2 VAL A 13 -11.321 -13.773 0.141 1.00 0.00 C ATOM 0 H VAL A 13 -12.783 -12.289 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.018 -11.905 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.559 -14.510 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.538 -15.544 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.186 -14.698 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.745 -13.951 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.346 -14.762 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.637 -13.133 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.321 -13.339 0.160 1.00 0.00 H new ATOM 75 N THR A 14 -11.384 -13.305 -4.206 1.00 0.00 N ATOM 76 CA THR A 14 -11.189 -13.544 -5.635 1.00 0.00 C ATOM 77 C THR A 14 -11.130 -12.229 -6.414 1.00 0.00 C ATOM 78 O THR A 14 -10.248 -12.039 -7.250 1.00 0.00 O ATOM 79 CB THR A 14 -12.308 -14.428 -6.195 1.00 0.00 C ATOM 80 OG1 THR A 14 -12.572 -15.519 -5.329 1.00 0.00 O ATOM 81 CG2 THR A 14 -11.995 -14.993 -7.566 1.00 0.00 C ATOM 0 H THR A 14 -12.271 -13.651 -3.839 1.00 0.00 H new ATOM 0 HA THR A 14 -10.236 -14.059 -5.754 1.00 0.00 H new ATOM 0 HB THR A 14 -13.176 -13.774 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.291 -16.069 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.828 -15.609 -7.904 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.839 -14.175 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.092 -15.601 -7.511 1.00 0.00 H new ATOM 89 N LYS A 15 -12.076 -11.328 -6.134 1.00 0.00 N ATOM 90 CA LYS A 15 -12.128 -10.032 -6.815 1.00 0.00 C ATOM 91 C LYS A 15 -10.849 -9.227 -6.570 1.00 0.00 C ATOM 92 O LYS A 15 -10.394 -8.494 -7.450 1.00 0.00 O ATOM 93 CB LYS A 15 -13.351 -9.226 -6.363 1.00 0.00 C ATOM 94 CG LYS A 15 -14.670 -9.762 -6.902 1.00 0.00 C ATOM 95 CD LYS A 15 -14.841 -9.445 -8.379 1.00 0.00 C ATOM 96 CE LYS A 15 -16.306 -9.240 -8.737 1.00 0.00 C ATOM 97 NZ LYS A 15 -16.519 -8.008 -9.548 1.00 0.00 N ATOM 0 H LYS A 15 -12.813 -11.471 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.213 -10.226 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.389 -9.220 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.232 -8.191 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.713 -10.841 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.497 -9.330 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.275 -8.547 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.429 -10.258 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.667 -10.106 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.897 -9.178 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.530 -7.908 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.199 -7.178 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.977 -8.077 -10.433 1.00 0.00 H new ATOM 111 N ALA A 16 -10.269 -9.374 -5.376 1.00 0.00 N ATOM 112 CA ALA A 16 -9.036 -8.668 -5.029 1.00 0.00 C ATOM 113 C ALA A 16 -7.894 -9.101 -5.941 1.00 0.00 C ATOM 114 O ALA A 16 -7.137 -8.267 -6.437 1.00 0.00 O ATOM 115 CB ALA A 16 -8.664 -8.908 -3.572 1.00 0.00 C ATOM 0 H ALA A 16 -10.633 -9.974 -4.636 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.210 -7.601 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.744 -8.373 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.466 -8.549 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.515 -9.975 -3.405 1.00 0.00 H new ATOM 121 N GLU A 17 -7.788 -10.412 -6.164 1.00 0.00 N ATOM 122 CA GLU A 17 -6.744 -10.966 -7.029 1.00 0.00 C ATOM 123 C GLU A 17 -6.837 -10.384 -8.439 1.00 0.00 C ATOM 124 O GLU A 17 -5.822 -10.179 -9.102 1.00 0.00 O ATOM 125 CB GLU A 17 -6.855 -12.491 -7.090 1.00 0.00 C ATOM 126 CG GLU A 17 -6.700 -13.170 -5.737 1.00 0.00 C ATOM 127 CD GLU A 17 -7.186 -14.607 -5.745 1.00 0.00 C ATOM 128 OE1 GLU A 17 -6.669 -15.406 -6.555 1.00 0.00 O ATOM 129 OE2 GLU A 17 -8.084 -14.934 -4.940 1.00 0.00 O ATOM 0 H GLU A 17 -8.412 -11.110 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.778 -10.695 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.823 -12.759 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.094 -12.875 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.651 -13.147 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.255 -12.607 -4.987 1.00 0.00 H new ATOM 136 N GLU A 18 -8.063 -10.114 -8.887 1.00 0.00 N ATOM 137 CA GLU A 18 -8.286 -9.544 -10.212 1.00 0.00 C ATOM 138 C GLU A 18 -7.810 -8.089 -10.264 1.00 0.00 C ATOM 139 O GLU A 18 -7.277 -7.641 -11.281 1.00 0.00 O ATOM 140 CB GLU A 18 -9.769 -9.631 -10.587 1.00 0.00 C ATOM 141 CG GLU A 18 -10.317 -11.051 -10.593 1.00 0.00 C ATOM 142 CD GLU A 18 -10.626 -11.546 -11.993 1.00 0.00 C ATOM 143 OE1 GLU A 18 -9.670 -11.874 -12.730 1.00 0.00 O ATOM 144 OE2 GLU A 18 -11.821 -11.606 -12.351 1.00 0.00 O ATOM 0 H GLU A 18 -8.915 -10.281 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.707 -10.121 -10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.348 -9.031 -9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.911 -9.192 -11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.593 -11.719 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.223 -11.090 -9.988 1.00 0.00 H new ATOM 151 N MET A 19 -8.002 -7.360 -9.160 1.00 0.00 N ATOM 152 CA MET A 19 -7.588 -5.958 -9.077 1.00 0.00 C ATOM 153 C MET A 19 -6.064 -5.834 -9.061 1.00 0.00 C ATOM 154 O MET A 19 -5.495 -5.014 -9.782 1.00 0.00 O ATOM 155 CB MET A 19 -8.177 -5.298 -7.827 1.00 0.00 C ATOM 156 CG MET A 19 -8.555 -3.839 -8.029 1.00 0.00 C ATOM 157 SD MET A 19 -9.990 -3.636 -9.103 1.00 0.00 S ATOM 158 CE MET A 19 -11.167 -2.899 -7.972 1.00 0.00 C ATOM 0 H MET A 19 -8.441 -7.719 -8.312 1.00 0.00 H new ATOM 0 HA MET A 19 -7.966 -5.446 -9.962 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.061 -5.854 -7.515 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.454 -5.368 -7.014 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.763 -3.384 -7.061 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.707 -3.304 -8.457 1.00 0.00 H new ATOM 0 HE1 MET A 19 -12.106 -2.715 -8.493 1.00 0.00 H new ATOM 0 HE2 MET A 19 -11.343 -3.577 -7.137 1.00 0.00 H new ATOM 0 HE3 MET A 19 -10.769 -1.956 -7.596 1.00 0.00 H new ATOM 168 N ILE A 20 -5.407 -6.660 -8.240 1.00 0.00 N ATOM 169 CA ILE A 20 -3.953 -6.651 -8.137 1.00 0.00 C ATOM 170 C ILE A 20 -3.299 -7.260 -9.378 1.00 0.00 C ATOM 171 O ILE A 20 -2.095 -7.107 -9.587 1.00 0.00 O ATOM 172 CB ILE A 20 -3.464 -7.408 -6.883 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.105 -8.799 -6.790 1.00 0.00 C ATOM 174 CG2 ILE A 20 -3.752 -6.599 -5.626 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.141 -9.882 -6.359 1.00 0.00 C ATOM 0 H ILE A 20 -5.865 -7.343 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.657 -5.605 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.386 -7.542 -6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.935 -8.761 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.524 -9.063 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.401 -7.147 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.236 -5.640 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.825 -6.429 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.663 -10.838 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.323 -9.948 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.741 -9.642 -5.374 1.00 0.00 H new ATOM 187 N LYS A 21 -4.091 -7.953 -10.202 1.00 0.00 N ATOM 188 CA LYS A 21 -3.577 -8.576 -11.414 1.00 0.00 C ATOM 189 C LYS A 21 -3.039 -7.522 -12.382 1.00 0.00 C ATOM 190 O LYS A 21 -1.844 -7.493 -12.678 1.00 0.00 O ATOM 191 CB LYS A 21 -4.670 -9.400 -12.096 1.00 0.00 C ATOM 192 CG LYS A 21 -4.138 -10.624 -12.829 1.00 0.00 C ATOM 193 CD LYS A 21 -4.771 -11.907 -12.311 1.00 0.00 C ATOM 194 CE LYS A 21 -6.201 -12.073 -12.811 1.00 0.00 C ATOM 195 NZ LYS A 21 -6.281 -12.959 -14.007 1.00 0.00 N ATOM 0 H LYS A 21 -5.089 -8.094 -10.047 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.758 -9.238 -11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.393 -9.721 -11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.204 -8.766 -12.804 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.337 -10.525 -13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.056 -10.678 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.173 -12.761 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.765 -11.901 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.817 -12.487 -12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.614 -11.095 -13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.272 -13.043 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.715 -12.552 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.912 -13.901 -13.766 1.00 0.00 H new ATOM 209 N SER A 22 -3.930 -6.652 -12.865 1.00 0.00 N ATOM 210 CA SER A 22 -3.546 -5.588 -13.794 1.00 0.00 C ATOM 211 C SER A 22 -3.057 -4.353 -13.039 1.00 0.00 C ATOM 212 O SER A 22 -2.301 -3.546 -13.584 1.00 0.00 O ATOM 213 CB SER A 22 -4.723 -5.215 -14.704 1.00 0.00 C ATOM 214 OG SER A 22 -4.270 -4.665 -15.932 1.00 0.00 O ATOM 0 H SER A 22 -4.922 -6.664 -12.628 1.00 0.00 H new ATOM 0 HA SER A 22 -2.729 -5.962 -14.411 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.328 -6.100 -14.900 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.365 -4.496 -14.196 1.00 0.00 H new ATOM 0 HG SER A 22 -5.041 -4.438 -16.493 1.00 0.00 H new ATOM 220 N HIS A 23 -3.486 -4.215 -11.783 1.00 0.00 N ATOM 221 CA HIS A 23 -3.081 -3.082 -10.957 1.00 0.00 C ATOM 222 C HIS A 23 -2.360 -3.560 -9.695 1.00 0.00 C ATOM 223 O HIS A 23 -2.811 -3.305 -8.576 1.00 0.00 O ATOM 224 CB HIS A 23 -4.297 -2.229 -10.582 1.00 0.00 C ATOM 225 CG HIS A 23 -5.133 -1.816 -11.755 1.00 0.00 C ATOM 226 ND1 HIS A 23 -4.609 -1.211 -12.879 1.00 0.00 N ATOM 227 CD2 HIS A 23 -6.463 -1.925 -11.973 1.00 0.00 C ATOM 228 CE1 HIS A 23 -5.583 -0.963 -13.735 1.00 0.00 C ATOM 229 NE2 HIS A 23 -6.717 -1.386 -13.212 1.00 0.00 N ATOM 0 H HIS A 23 -4.112 -4.873 -11.319 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.390 -2.470 -11.537 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.919 -2.788 -9.883 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.955 -1.336 -10.059 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.190 -2.355 -11.300 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.470 -0.493 -14.701 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.634 -1.324 -13.655 1.00 0.00 H new ATOM 238 N PRO A 24 -1.221 -4.262 -9.860 1.00 0.00 N ATOM 239 CA PRO A 24 -0.434 -4.778 -8.731 1.00 0.00 C ATOM 240 C PRO A 24 0.239 -3.669 -7.916 1.00 0.00 C ATOM 241 O PRO A 24 0.667 -3.902 -6.785 1.00 0.00 O ATOM 242 CB PRO A 24 0.619 -5.661 -9.402 1.00 0.00 C ATOM 243 CG PRO A 24 0.750 -5.121 -10.783 1.00 0.00 C ATOM 244 CD PRO A 24 -0.611 -4.610 -11.159 1.00 0.00 C ATOM 0 HA PRO A 24 -1.063 -5.306 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.569 -5.617 -8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.308 -6.706 -9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.491 -4.322 -10.821 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.081 -5.896 -11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.546 -3.743 -11.817 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.192 -5.367 -11.685 1.00 0.00 H new ATOM 252 N TYR A 25 0.327 -2.468 -8.492 1.00 0.00 N ATOM 253 CA TYR A 25 0.942 -1.334 -7.813 1.00 0.00 C ATOM 254 C TYR A 25 -0.101 -0.569 -7.000 1.00 0.00 C ATOM 255 O TYR A 25 -0.439 0.573 -7.317 1.00 0.00 O ATOM 256 CB TYR A 25 1.608 -0.406 -8.836 1.00 0.00 C ATOM 257 CG TYR A 25 3.020 -0.815 -9.209 1.00 0.00 C ATOM 258 CD1 TYR A 25 3.978 -1.057 -8.229 1.00 0.00 C ATOM 259 CD2 TYR A 25 3.395 -0.954 -10.540 1.00 0.00 C ATOM 260 CE1 TYR A 25 5.267 -1.427 -8.567 1.00 0.00 C ATOM 261 CE2 TYR A 25 4.681 -1.324 -10.885 1.00 0.00 C ATOM 262 CZ TYR A 25 5.613 -1.558 -9.895 1.00 0.00 C ATOM 263 OH TYR A 25 6.897 -1.927 -10.234 1.00 0.00 O ATOM 0 H TYR A 25 -0.021 -2.259 -9.428 1.00 0.00 H new ATOM 0 HA TYR A 25 1.705 -1.707 -7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.998 -0.379 -9.739 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.628 0.607 -8.434 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.711 -0.954 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.669 -0.770 -11.318 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.999 -1.612 -7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.955 -1.429 -11.924 1.00 0.00 H new ATOM 0 HH TYR A 25 6.977 -1.975 -11.210 1.00 0.00 H new ATOM 273 N PHE A 26 -0.616 -1.216 -5.953 1.00 0.00 N ATOM 274 CA PHE A 26 -1.633 -0.613 -5.094 1.00 0.00 C ATOM 275 C PHE A 26 -1.051 -0.232 -3.731 1.00 0.00 C ATOM 276 O PHE A 26 -0.284 -0.996 -3.139 1.00 0.00 O ATOM 277 CB PHE A 26 -2.807 -1.582 -4.909 1.00 0.00 C ATOM 278 CG PHE A 26 -4.032 -1.218 -5.706 1.00 0.00 C ATOM 279 CD1 PHE A 26 -3.928 -0.814 -7.030 1.00 0.00 C ATOM 280 CD2 PHE A 26 -5.290 -1.283 -5.129 1.00 0.00 C ATOM 281 CE1 PHE A 26 -5.056 -0.484 -7.758 1.00 0.00 C ATOM 282 CE2 PHE A 26 -6.420 -0.955 -5.853 1.00 0.00 C ATOM 283 CZ PHE A 26 -6.302 -0.553 -7.169 1.00 0.00 C ATOM 0 H PHE A 26 -0.344 -2.160 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.988 0.297 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.486 -2.584 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.071 -1.619 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.956 -0.757 -7.496 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.389 -1.594 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.962 -0.172 -8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.394 -1.013 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.184 -0.293 -7.736 1.00 0.00 H new ATOM 293 N GLN A 27 -1.427 0.949 -3.238 1.00 0.00 N ATOM 294 CA GLN A 27 -0.948 1.433 -1.941 1.00 0.00 C ATOM 295 C GLN A 27 -2.048 2.203 -1.206 1.00 0.00 C ATOM 296 O GLN A 27 -2.361 3.341 -1.555 1.00 0.00 O ATOM 297 CB GLN A 27 0.286 2.319 -2.132 1.00 0.00 C ATOM 298 CG GLN A 27 1.601 1.564 -2.006 1.00 0.00 C ATOM 299 CD GLN A 27 2.520 1.786 -3.195 1.00 0.00 C ATOM 300 OE1 GLN A 27 2.236 1.331 -4.303 1.00 0.00 O ATOM 301 NE2 GLN A 27 3.628 2.482 -2.970 1.00 0.00 N ATOM 0 H GLN A 27 -2.062 1.588 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.673 0.571 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.238 2.788 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.265 3.121 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.110 1.878 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.395 0.498 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.824 2.841 -2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.283 2.658 -3.732 1.00 0.00 H new ATOM 310 N LEU A 28 -2.633 1.567 -0.189 1.00 0.00 N ATOM 311 CA LEU A 28 -3.709 2.177 0.597 1.00 0.00 C ATOM 312 C LEU A 28 -3.158 3.173 1.619 1.00 0.00 C ATOM 313 O LEU A 28 -2.293 2.832 2.428 1.00 0.00 O ATOM 314 CB LEU A 28 -4.520 1.087 1.310 1.00 0.00 C ATOM 315 CG LEU A 28 -5.460 0.279 0.408 1.00 0.00 C ATOM 316 CD1 LEU A 28 -4.664 -0.608 -0.540 1.00 0.00 C ATOM 317 CD2 LEU A 28 -6.419 -0.558 1.246 1.00 0.00 C ATOM 0 H LEU A 28 -2.379 0.626 0.111 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.358 2.723 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.827 0.399 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.111 1.553 2.099 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.046 0.978 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.350 -1.173 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.022 0.012 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.050 -1.299 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.078 -1.124 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.850 -1.247 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.016 0.098 1.880 1.00 0.00 H new ATOM 329 N SER A 29 -3.670 4.406 1.575 1.00 0.00 N ATOM 330 CA SER A 29 -3.234 5.459 2.495 1.00 0.00 C ATOM 331 C SER A 29 -4.377 6.427 2.813 1.00 0.00 C ATOM 332 O SER A 29 -5.510 6.239 2.363 1.00 0.00 O ATOM 333 CB SER A 29 -2.047 6.226 1.902 1.00 0.00 C ATOM 334 OG SER A 29 -1.008 5.345 1.509 1.00 0.00 O ATOM 0 H SER A 29 -4.387 4.699 0.912 1.00 0.00 H new ATOM 0 HA SER A 29 -2.923 4.983 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.380 6.806 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.666 6.936 2.637 1.00 0.00 H new ATOM 0 HG SER A 29 -0.265 5.862 1.133 1.00 0.00 H new ATOM 340 N ALA A 30 -4.067 7.465 3.593 1.00 0.00 N ATOM 341 CA ALA A 30 -5.053 8.471 3.982 1.00 0.00 C ATOM 342 C ALA A 30 -4.381 9.816 4.270 1.00 0.00 C ATOM 343 O ALA A 30 -3.153 9.918 4.254 1.00 0.00 O ATOM 344 CB ALA A 30 -5.833 8.003 5.204 1.00 0.00 C ATOM 0 H ALA A 30 -3.133 7.630 3.969 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.744 8.605 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.564 8.763 5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.349 7.071 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.145 7.840 6.034 1.00 0.00 H new ATOM 350 N SER A 31 -5.192 10.841 4.540 1.00 0.00 N ATOM 351 CA SER A 31 -4.669 12.175 4.843 1.00 0.00 C ATOM 352 C SER A 31 -4.908 12.545 6.310 1.00 0.00 C ATOM 353 O SER A 31 -5.128 13.714 6.640 1.00 0.00 O ATOM 354 CB SER A 31 -5.311 13.216 3.921 1.00 0.00 C ATOM 355 OG SER A 31 -4.358 14.172 3.491 1.00 0.00 O ATOM 0 H SER A 31 -6.210 10.774 4.555 1.00 0.00 H new ATOM 0 HA SER A 31 -3.593 12.163 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.749 12.719 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.124 13.718 4.445 1.00 0.00 H new ATOM 0 HG SER A 31 -4.792 14.825 2.903 1.00 0.00 H new ATOM 361 N TRP A 32 -4.855 11.543 7.191 1.00 0.00 N ATOM 362 CA TRP A 32 -5.060 11.765 8.623 1.00 0.00 C ATOM 363 C TRP A 32 -4.001 11.039 9.454 1.00 0.00 C ATOM 364 O TRP A 32 -3.417 11.622 10.368 1.00 0.00 O ATOM 365 CB TRP A 32 -6.462 11.309 9.041 1.00 0.00 C ATOM 366 CG TRP A 32 -7.393 12.444 9.344 1.00 0.00 C ATOM 367 CD1 TRP A 32 -8.087 13.197 8.441 1.00 0.00 C ATOM 368 CD2 TRP A 32 -7.733 12.957 10.639 1.00 0.00 C ATOM 369 NE1 TRP A 32 -8.840 14.143 9.093 1.00 0.00 N ATOM 370 CE2 TRP A 32 -8.641 14.017 10.443 1.00 0.00 C ATOM 371 CE3 TRP A 32 -7.361 12.624 11.945 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -9.179 14.743 11.502 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -7.899 13.345 12.996 1.00 0.00 C ATOM 374 CH2 TRP A 32 -8.799 14.393 12.768 1.00 0.00 C ATOM 0 H TRP A 32 -4.672 10.572 6.938 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.965 12.834 8.811 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.890 10.701 8.244 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.381 10.671 9.921 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -8.049 13.068 7.369 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -9.449 14.828 8.645 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -6.666 11.818 12.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -9.872 15.554 11.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.620 13.095 14.009 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.202 14.936 13.610 1.00 0.00 H new ATOM 385 N CYS A 33 -3.758 9.764 9.132 1.00 0.00 N ATOM 386 CA CYS A 33 -2.767 8.960 9.853 1.00 0.00 C ATOM 387 C CYS A 33 -1.379 9.601 9.784 1.00 0.00 C ATOM 388 O CYS A 33 -1.005 10.182 8.762 1.00 0.00 O ATOM 389 CB CYS A 33 -2.712 7.540 9.276 1.00 0.00 C ATOM 390 SG CYS A 33 -2.990 6.232 10.495 1.00 0.00 S ATOM 0 H CYS A 33 -4.233 9.268 8.378 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.072 8.912 10.898 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.459 7.451 8.488 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.738 7.387 8.811 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.342 5.163 10.140 1.00 0.00 H new ATOM 396 N PRO A 34 -0.590 9.500 10.876 1.00 0.00 N ATOM 397 CA PRO A 34 0.763 10.071 10.932 1.00 0.00 C ATOM 398 C PRO A 34 1.731 9.367 9.983 1.00 0.00 C ATOM 399 O PRO A 34 2.567 10.010 9.350 1.00 0.00 O ATOM 400 CB PRO A 34 1.188 9.860 12.388 1.00 0.00 C ATOM 401 CG PRO A 34 0.352 8.726 12.875 1.00 0.00 C ATOM 402 CD PRO A 34 -0.955 8.822 12.136 1.00 0.00 C ATOM 0 HA PRO A 34 0.773 11.116 10.623 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.250 9.626 12.459 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.019 10.758 12.982 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.840 7.771 12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.196 8.791 13.952 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.385 7.838 11.952 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.694 9.392 12.699 1.00 0.00 H new ATOM 410 N ASP A 35 1.614 8.040 9.888 1.00 0.00 N ATOM 411 CA ASP A 35 2.482 7.254 9.015 1.00 0.00 C ATOM 412 C ASP A 35 2.148 7.492 7.545 1.00 0.00 C ATOM 413 O ASP A 35 3.037 7.484 6.691 1.00 0.00 O ATOM 414 CB ASP A 35 2.366 5.762 9.338 1.00 0.00 C ATOM 415 CG ASP A 35 3.025 5.395 10.652 1.00 0.00 C ATOM 416 OD1 ASP A 35 4.272 5.403 10.713 1.00 0.00 O ATOM 417 OD2 ASP A 35 2.294 5.101 11.620 1.00 0.00 O ATOM 0 H ASP A 35 0.927 7.491 10.405 1.00 0.00 H new ATOM 0 HA ASP A 35 3.507 7.578 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.313 5.483 9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.821 5.184 8.534 1.00 0.00 H new ATOM 422 N CYS A 36 0.864 7.709 7.252 1.00 0.00 N ATOM 423 CA CYS A 36 0.420 7.954 5.882 1.00 0.00 C ATOM 424 C CYS A 36 1.094 9.200 5.307 1.00 0.00 C ATOM 425 O CYS A 36 1.504 9.211 4.146 1.00 0.00 O ATOM 426 CB CYS A 36 -1.102 8.106 5.829 1.00 0.00 C ATOM 427 SG CYS A 36 -2.006 6.568 6.134 1.00 0.00 S ATOM 0 H CYS A 36 0.116 7.720 7.945 1.00 0.00 H new ATOM 0 HA CYS A 36 0.707 7.095 5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.409 8.848 6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.384 8.493 4.850 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.846 5.763 5.126 1.00 0.00 H new ATOM 433 N VAL A 37 1.221 10.241 6.131 1.00 0.00 N ATOM 434 CA VAL A 37 1.864 11.482 5.701 1.00 0.00 C ATOM 435 C VAL A 37 3.323 11.230 5.311 1.00 0.00 C ATOM 436 O VAL A 37 3.829 11.824 4.357 1.00 0.00 O ATOM 437 CB VAL A 37 1.805 12.571 6.796 1.00 0.00 C ATOM 438 CG1 VAL A 37 2.305 13.901 6.252 1.00 0.00 C ATOM 439 CG2 VAL A 37 0.391 12.706 7.348 1.00 0.00 C ATOM 0 H VAL A 37 0.889 10.249 7.095 1.00 0.00 H new ATOM 0 HA VAL A 37 1.312 11.841 4.832 1.00 0.00 H new ATOM 0 HB VAL A 37 2.458 12.271 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.256 14.656 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.336 13.792 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.681 14.209 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.373 13.478 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.290 12.981 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.077 11.756 7.780 1.00 0.00 H new ATOM 449 N TYR A 38 3.991 10.333 6.045 1.00 0.00 N ATOM 450 CA TYR A 38 5.385 9.991 5.767 1.00 0.00 C ATOM 451 C TYR A 38 5.503 9.166 4.483 1.00 0.00 C ATOM 452 O TYR A 38 6.459 9.321 3.723 1.00 0.00 O ATOM 453 CB TYR A 38 5.989 9.215 6.943 1.00 0.00 C ATOM 454 CG TYR A 38 7.458 8.887 6.770 1.00 0.00 C ATOM 455 CD1 TYR A 38 8.442 9.802 7.130 1.00 0.00 C ATOM 456 CD2 TYR A 38 7.861 7.664 6.248 1.00 0.00 C ATOM 457 CE1 TYR A 38 9.783 9.504 6.975 1.00 0.00 C ATOM 458 CE2 TYR A 38 9.199 7.361 6.088 1.00 0.00 C ATOM 459 CZ TYR A 38 10.156 8.283 6.454 1.00 0.00 C ATOM 460 OH TYR A 38 11.490 7.985 6.298 1.00 0.00 O ATOM 0 H TYR A 38 3.586 9.832 6.836 1.00 0.00 H new ATOM 0 HA TYR A 38 5.938 10.921 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.862 9.799 7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.433 8.287 7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.154 10.760 7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.115 6.937 5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.535 10.224 7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.494 6.406 5.678 1.00 0.00 H new ATOM 0 HH TYR A 38 11.582 7.086 5.920 1.00 0.00 H new ATOM 470 N ALA A 39 4.527 8.289 4.241 1.00 0.00 N ATOM 471 CA ALA A 39 4.535 7.449 3.043 1.00 0.00 C ATOM 472 C ALA A 39 4.377 8.294 1.778 1.00 0.00 C ATOM 473 O ALA A 39 5.057 8.059 0.776 1.00 0.00 O ATOM 474 CB ALA A 39 3.434 6.397 3.115 1.00 0.00 C ATOM 0 H ALA A 39 3.726 8.143 4.855 1.00 0.00 H new ATOM 0 HA ALA A 39 5.499 6.943 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.458 5.783 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.591 5.765 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.465 6.889 3.193 1.00 0.00 H new ATOM 480 N ASN A 40 3.485 9.284 1.833 1.00 0.00 N ATOM 481 CA ASN A 40 3.240 10.161 0.694 1.00 0.00 C ATOM 482 C ASN A 40 4.361 11.179 0.519 1.00 0.00 C ATOM 483 O ASN A 40 4.636 11.619 -0.597 1.00 0.00 O ATOM 484 CB ASN A 40 1.899 10.881 0.855 1.00 0.00 C ATOM 485 CG ASN A 40 0.737 10.072 0.307 1.00 0.00 C ATOM 486 OD1 ASN A 40 0.927 9.142 -0.476 1.00 0.00 O ATOM 487 ND2 ASN A 40 -0.478 10.424 0.715 1.00 0.00 N ATOM 0 H ASN A 40 2.921 9.496 2.656 1.00 0.00 H new ATOM 0 HA ASN A 40 3.208 9.539 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.727 11.090 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.942 11.842 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.296 9.917 0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.592 11.201 1.365 1.00 0.00 H new ATOM 494 N SER A 41 5.006 11.558 1.623 1.00 0.00 N ATOM 495 CA SER A 41 6.092 12.530 1.570 1.00 0.00 C ATOM 496 C SER A 41 7.246 12.021 0.707 1.00 0.00 C ATOM 497 O SER A 41 7.814 12.773 -0.089 1.00 0.00 O ATOM 498 CB SER A 41 6.584 12.871 2.981 1.00 0.00 C ATOM 499 OG SER A 41 7.333 11.805 3.544 1.00 0.00 O ATOM 0 H SER A 41 4.795 11.208 2.558 1.00 0.00 H new ATOM 0 HA SER A 41 5.704 13.439 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.199 13.770 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.730 13.094 3.621 1.00 0.00 H new ATOM 0 HG SER A 41 6.889 10.954 3.348 1.00 0.00 H new ATOM 505 N ILE A 42 7.591 10.742 0.866 1.00 0.00 N ATOM 506 CA ILE A 42 8.675 10.139 0.096 1.00 0.00 C ATOM 507 C ILE A 42 8.313 10.038 -1.383 1.00 0.00 C ATOM 508 O ILE A 42 9.068 10.492 -2.244 1.00 0.00 O ATOM 509 CB ILE A 42 9.043 8.736 0.622 1.00 0.00 C ATOM 510 CG1 ILE A 42 9.313 8.783 2.130 1.00 0.00 C ATOM 511 CG2 ILE A 42 10.254 8.194 -0.126 1.00 0.00 C ATOM 512 CD1 ILE A 42 10.492 9.653 2.512 1.00 0.00 C ATOM 0 H ILE A 42 7.135 10.106 1.521 1.00 0.00 H new ATOM 0 HA ILE A 42 9.538 10.794 0.213 1.00 0.00 H new ATOM 0 HB ILE A 42 8.202 8.065 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.422 9.151 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.489 7.769 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.503 7.204 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.025 8.127 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.102 8.863 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.621 9.637 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.395 9.273 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.310 10.676 2.184 1.00 0.00 H new ATOM 524 N TRP A 43 7.155 9.441 -1.674 1.00 0.00 N ATOM 525 CA TRP A 43 6.701 9.287 -3.057 1.00 0.00 C ATOM 526 C TRP A 43 6.538 10.648 -3.742 1.00 0.00 C ATOM 527 O TRP A 43 6.817 10.787 -4.935 1.00 0.00 O ATOM 528 CB TRP A 43 5.386 8.507 -3.106 1.00 0.00 C ATOM 529 CG TRP A 43 5.581 7.051 -3.405 1.00 0.00 C ATOM 530 CD1 TRP A 43 5.333 6.417 -4.589 1.00 0.00 C ATOM 531 CD2 TRP A 43 6.069 6.047 -2.506 1.00 0.00 C ATOM 532 NE1 TRP A 43 5.638 5.082 -4.482 1.00 0.00 N ATOM 533 CE2 TRP A 43 6.089 4.830 -3.214 1.00 0.00 C ATOM 534 CE3 TRP A 43 6.489 6.056 -1.173 1.00 0.00 C ATOM 535 CZ2 TRP A 43 6.516 3.637 -2.633 1.00 0.00 C ATOM 536 CZ3 TRP A 43 6.911 4.873 -0.599 1.00 0.00 C ATOM 537 CH2 TRP A 43 6.921 3.677 -1.328 1.00 0.00 C ATOM 0 H TRP A 43 6.518 9.059 -0.975 1.00 0.00 H new ATOM 0 HA TRP A 43 7.463 8.725 -3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.872 8.611 -2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.738 8.945 -3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.953 6.895 -5.479 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.544 4.391 -5.226 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.484 6.972 -0.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.526 2.714 -3.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.239 4.870 0.430 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.255 2.768 -0.850 1.00 0.00 H new ATOM 548 N ASN A 44 6.097 11.650 -2.977 1.00 0.00 N ATOM 549 CA ASN A 44 5.906 13.004 -3.502 1.00 0.00 C ATOM 550 C ASN A 44 7.251 13.652 -3.843 1.00 0.00 C ATOM 551 O ASN A 44 7.349 14.426 -4.796 1.00 0.00 O ATOM 552 CB ASN A 44 5.153 13.867 -2.484 1.00 0.00 C ATOM 553 CG ASN A 44 4.705 15.199 -3.057 1.00 0.00 C ATOM 554 OD1 ASN A 44 5.330 16.231 -2.818 1.00 0.00 O ATOM 555 ND2 ASN A 44 3.611 15.183 -3.814 1.00 0.00 N ATOM 0 H ASN A 44 5.865 11.548 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 44 5.315 12.933 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.281 13.320 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.795 14.046 -1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.260 16.050 -4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.123 14.304 -3.987 1.00 0.00 H new ATOM 562 N LYS A 45 8.283 13.325 -3.065 1.00 0.00 N ATOM 563 CA LYS A 45 9.620 13.867 -3.287 1.00 0.00 C ATOM 564 C LYS A 45 10.322 13.133 -4.428 1.00 0.00 C ATOM 565 O LYS A 45 11.139 13.717 -5.141 1.00 0.00 O ATOM 566 CB LYS A 45 10.454 13.760 -2.005 1.00 0.00 C ATOM 567 CG LYS A 45 11.830 14.406 -2.106 1.00 0.00 C ATOM 568 CD LYS A 45 12.889 13.592 -1.379 1.00 0.00 C ATOM 569 CE LYS A 45 13.206 12.297 -2.114 1.00 0.00 C ATOM 570 NZ LYS A 45 14.398 11.609 -1.543 1.00 0.00 N ATOM 0 H LYS A 45 8.216 12.685 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 45 9.520 14.917 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.905 14.225 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.576 12.707 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.107 14.509 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.792 15.411 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.798 14.185 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.544 13.363 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.344 11.631 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.382 12.512 -3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.579 10.732 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.226 12.234 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.221 11.380 -0.544 1.00 0.00 H new ATOM 584 N LEU A 46 10.006 11.847 -4.592 1.00 0.00 N ATOM 585 CA LEU A 46 10.613 11.040 -5.645 1.00 0.00 C ATOM 586 C LEU A 46 9.941 11.266 -7.007 1.00 0.00 C ATOM 587 O LEU A 46 10.422 10.769 -8.026 1.00 0.00 O ATOM 588 CB LEU A 46 10.549 9.552 -5.283 1.00 0.00 C ATOM 589 CG LEU A 46 11.650 9.058 -4.341 1.00 0.00 C ATOM 590 CD1 LEU A 46 11.317 7.669 -3.817 1.00 0.00 C ATOM 591 CD2 LEU A 46 13.002 9.055 -5.045 1.00 0.00 C ATOM 0 H LEU A 46 9.335 11.346 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 46 11.653 11.354 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.582 9.349 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.593 8.969 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 46 11.709 9.742 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.110 7.332 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.373 7.702 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.229 6.976 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.770 8.701 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.959 8.396 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.245 10.067 -5.370 1.00 0.00 H new ATOM 603 N ASN A 47 8.831 12.017 -7.022 1.00 0.00 N ATOM 604 CA ASN A 47 8.104 12.299 -8.258 1.00 0.00 C ATOM 605 C ASN A 47 7.713 10.995 -8.960 1.00 0.00 C ATOM 606 O ASN A 47 7.925 10.828 -10.165 1.00 0.00 O ATOM 607 CB ASN A 47 8.956 13.184 -9.174 1.00 0.00 C ATOM 608 CG ASN A 47 8.226 13.607 -10.438 1.00 0.00 C ATOM 609 OD1 ASN A 47 8.675 13.325 -11.547 1.00 0.00 O ATOM 610 ND2 ASN A 47 7.094 14.287 -10.276 1.00 0.00 N ATOM 0 H ASN A 47 8.420 12.438 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 47 7.187 12.836 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.266 14.073 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.864 12.646 -9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.563 14.595 -11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.757 14.500 -9.337 1.00 0.00 H new ATOM 617 N VAL A 48 7.141 10.070 -8.193 1.00 0.00 N ATOM 618 CA VAL A 48 6.716 8.780 -8.729 1.00 0.00 C ATOM 619 C VAL A 48 5.270 8.473 -8.330 1.00 0.00 C ATOM 620 O VAL A 48 4.932 7.331 -8.015 1.00 0.00 O ATOM 621 CB VAL A 48 7.640 7.634 -8.253 1.00 0.00 C ATOM 622 CG1 VAL A 48 9.040 7.792 -8.827 1.00 0.00 C ATOM 623 CG2 VAL A 48 7.682 7.569 -6.730 1.00 0.00 C ATOM 0 H VAL A 48 6.961 10.191 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 48 6.781 8.847 -9.815 1.00 0.00 H new ATOM 0 HB VAL A 48 7.229 6.694 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.671 6.974 -8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.991 7.773 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.463 8.742 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.338 6.756 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.061 8.512 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.677 7.393 -6.346 1.00 0.00 H new ATOM 633 N GLN A 49 4.420 9.503 -8.352 1.00 0.00 N ATOM 634 CA GLN A 49 3.008 9.349 -7.996 1.00 0.00 C ATOM 635 C GLN A 49 2.130 9.224 -9.245 1.00 0.00 C ATOM 636 O GLN A 49 0.953 9.590 -9.224 1.00 0.00 O ATOM 637 CB GLN A 49 2.544 10.538 -7.147 1.00 0.00 C ATOM 638 CG GLN A 49 2.826 10.378 -5.662 1.00 0.00 C ATOM 639 CD GLN A 49 1.665 9.752 -4.910 1.00 0.00 C ATOM 640 OE1 GLN A 49 1.585 8.531 -4.783 1.00 0.00 O ATOM 641 NE2 GLN A 49 0.761 10.585 -4.407 1.00 0.00 N ATOM 0 H GLN A 49 4.686 10.453 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 49 2.906 8.431 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.036 11.442 -7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.473 10.679 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.715 9.761 -5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.049 11.354 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.867 11.591 -4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.039 10.218 -3.891 1.00 0.00 H new ATOM 650 N ASP A 50 2.707 8.698 -10.329 1.00 0.00 N ATOM 651 CA ASP A 50 1.975 8.520 -11.584 1.00 0.00 C ATOM 652 C ASP A 50 2.034 7.066 -12.041 1.00 0.00 C ATOM 653 O ASP A 50 1.008 6.466 -12.360 1.00 0.00 O ATOM 654 CB ASP A 50 2.542 9.429 -12.680 1.00 0.00 C ATOM 655 CG ASP A 50 2.712 10.867 -12.225 1.00 0.00 C ATOM 656 OD1 ASP A 50 1.700 11.493 -11.843 1.00 0.00 O ATOM 657 OD2 ASP A 50 3.857 11.365 -12.251 1.00 0.00 O ATOM 0 H ASP A 50 3.678 8.388 -10.362 1.00 0.00 H new ATOM 0 HA ASP A 50 0.935 8.793 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.507 9.040 -13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.880 9.403 -13.545 1.00 0.00 H new ATOM 662 N LYS A 51 3.244 6.503 -12.060 1.00 0.00 N ATOM 663 CA LYS A 51 3.444 5.112 -12.468 1.00 0.00 C ATOM 664 C LYS A 51 2.838 4.136 -11.449 1.00 0.00 C ATOM 665 O LYS A 51 2.601 2.969 -11.768 1.00 0.00 O ATOM 666 CB LYS A 51 4.938 4.824 -12.642 1.00 0.00 C ATOM 667 CG LYS A 51 5.560 5.527 -13.840 1.00 0.00 C ATOM 668 CD LYS A 51 6.986 5.972 -13.551 1.00 0.00 C ATOM 669 CE LYS A 51 7.020 7.202 -12.655 1.00 0.00 C ATOM 670 NZ LYS A 51 8.401 7.516 -12.193 1.00 0.00 N ATOM 0 H LYS A 51 4.101 6.990 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 51 2.934 4.966 -13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.466 5.129 -11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.082 3.749 -12.748 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.555 4.856 -14.699 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.955 6.393 -14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.532 5.158 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.496 6.191 -14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.616 8.057 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.376 7.039 -11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.388 8.389 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.759 6.732 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.021 7.647 -13.017 1.00 0.00 H new ATOM 684 N VAL A 52 2.586 4.620 -10.229 1.00 0.00 N ATOM 685 CA VAL A 52 2.009 3.796 -9.173 1.00 0.00 C ATOM 686 C VAL A 52 0.543 4.170 -8.945 1.00 0.00 C ATOM 687 O VAL A 52 0.115 5.267 -9.309 1.00 0.00 O ATOM 688 CB VAL A 52 2.796 3.958 -7.850 1.00 0.00 C ATOM 689 CG1 VAL A 52 2.361 2.919 -6.827 1.00 0.00 C ATOM 690 CG2 VAL A 52 4.296 3.869 -8.102 1.00 0.00 C ATOM 0 H VAL A 52 2.775 5.583 -9.952 1.00 0.00 H new ATOM 0 HA VAL A 52 2.071 2.755 -9.491 1.00 0.00 H new ATOM 0 HB VAL A 52 2.574 4.945 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.929 3.055 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.298 3.037 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.544 1.920 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.831 3.985 -7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.535 2.899 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.597 4.659 -8.790 1.00 0.00 H new ATOM 700 N PHE A 53 -0.221 3.260 -8.340 1.00 0.00 N ATOM 701 CA PHE A 53 -1.626 3.511 -8.069 1.00 0.00 C ATOM 702 C PHE A 53 -1.876 3.517 -6.566 1.00 0.00 C ATOM 703 O PHE A 53 -1.789 2.486 -5.897 1.00 0.00 O ATOM 704 CB PHE A 53 -2.509 2.455 -8.749 1.00 0.00 C ATOM 705 CG PHE A 53 -2.317 2.359 -10.241 1.00 0.00 C ATOM 706 CD1 PHE A 53 -1.138 1.857 -10.774 1.00 0.00 C ATOM 707 CD2 PHE A 53 -3.317 2.768 -11.109 1.00 0.00 C ATOM 708 CE1 PHE A 53 -0.963 1.767 -12.142 1.00 0.00 C ATOM 709 CE2 PHE A 53 -3.148 2.679 -12.477 1.00 0.00 C ATOM 710 CZ PHE A 53 -1.969 2.179 -12.996 1.00 0.00 C ATOM 0 H PHE A 53 0.113 2.347 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.886 4.488 -8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.301 1.482 -8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.554 2.684 -8.542 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.348 1.533 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.240 3.161 -10.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.040 1.375 -12.544 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.937 3.000 -13.141 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.834 2.110 -14.065 1.00 0.00 H new ATOM 720 N VAL A 54 -2.185 4.696 -6.050 1.00 0.00 N ATOM 721 CA VAL A 54 -2.452 4.877 -4.623 1.00 0.00 C ATOM 722 C VAL A 54 -3.955 4.896 -4.332 1.00 0.00 C ATOM 723 O VAL A 54 -4.728 5.535 -5.048 1.00 0.00 O ATOM 724 CB VAL A 54 -1.819 6.185 -4.094 1.00 0.00 C ATOM 725 CG1 VAL A 54 -1.922 6.264 -2.576 1.00 0.00 C ATOM 726 CG2 VAL A 54 -0.367 6.302 -4.541 1.00 0.00 C ATOM 0 H VAL A 54 -2.259 5.552 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.001 4.027 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.375 7.023 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.470 7.193 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.971 6.238 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.399 5.417 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.058 7.230 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.202 5.456 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.321 6.305 -5.630 1.00 0.00 H new ATOM 736 N PHE A 55 -4.355 4.194 -3.271 1.00 0.00 N ATOM 737 CA PHE A 55 -5.757 4.125 -2.871 1.00 0.00 C ATOM 738 C PHE A 55 -6.035 5.052 -1.690 1.00 0.00 C ATOM 739 O PHE A 55 -5.567 4.812 -0.575 1.00 0.00 O ATOM 740 CB PHE A 55 -6.140 2.688 -2.500 1.00 0.00 C ATOM 741 CG PHE A 55 -7.516 2.287 -2.960 1.00 0.00 C ATOM 742 CD1 PHE A 55 -8.601 3.134 -2.786 1.00 0.00 C ATOM 743 CD2 PHE A 55 -7.721 1.059 -3.566 1.00 0.00 C ATOM 744 CE1 PHE A 55 -9.863 2.762 -3.210 1.00 0.00 C ATOM 745 CE2 PHE A 55 -8.980 0.682 -3.991 1.00 0.00 C ATOM 746 CZ PHE A 55 -10.053 1.534 -3.814 1.00 0.00 C ATOM 0 H PHE A 55 -3.723 3.663 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.361 4.449 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.409 2.004 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.082 2.574 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.458 4.095 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.887 0.388 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.699 3.430 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.126 -0.279 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.038 1.241 -4.147 1.00 0.00 H new ATOM 756 N ASP A 56 -6.807 6.107 -1.942 1.00 0.00 N ATOM 757 CA ASP A 56 -7.162 7.067 -0.903 1.00 0.00 C ATOM 758 C ASP A 56 -8.486 6.681 -0.252 1.00 0.00 C ATOM 759 O ASP A 56 -9.493 6.498 -0.940 1.00 0.00 O ATOM 760 CB ASP A 56 -7.266 8.478 -1.491 1.00 0.00 C ATOM 761 CG ASP A 56 -7.497 9.535 -0.428 1.00 0.00 C ATOM 762 OD1 ASP A 56 -6.502 10.042 0.133 1.00 0.00 O ATOM 763 OD2 ASP A 56 -8.673 9.854 -0.151 1.00 0.00 O ATOM 0 H ASP A 56 -7.199 6.318 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.378 7.056 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.351 8.709 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.083 8.508 -2.212 1.00 0.00 H new ATOM 768 N ILE A 57 -8.483 6.563 1.074 1.00 0.00 N ATOM 769 CA ILE A 57 -9.692 6.205 1.813 1.00 0.00 C ATOM 770 C ILE A 57 -10.519 7.454 2.121 1.00 0.00 C ATOM 771 O ILE A 57 -10.707 7.822 3.283 1.00 0.00 O ATOM 772 CB ILE A 57 -9.357 5.456 3.123 1.00 0.00 C ATOM 773 CG1 ILE A 57 -8.374 4.313 2.844 1.00 0.00 C ATOM 774 CG2 ILE A 57 -10.626 4.922 3.774 1.00 0.00 C ATOM 775 CD1 ILE A 57 -7.731 3.743 4.090 1.00 0.00 C ATOM 0 H ILE A 57 -7.659 6.710 1.658 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.276 5.535 1.182 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.888 6.157 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.899 3.515 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.592 4.673 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.370 4.398 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -11.294 5.752 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.123 4.233 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.049 2.939 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.177 4.528 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.504 3.351 4.751 1.00 0.00 H new ATOM 787 N GLY A 58 -11.006 8.102 1.062 1.00 0.00 N ATOM 788 CA GLY A 58 -11.805 9.307 1.221 1.00 0.00 C ATOM 789 C GLY A 58 -13.168 9.208 0.553 1.00 0.00 C ATOM 790 O GLY A 58 -13.773 10.227 0.224 1.00 0.00 O ATOM 0 H GLY A 58 -10.860 7.812 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.941 9.509 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.262 10.154 0.803 1.00 0.00 H new ATOM 794 N SER A 59 -13.652 7.979 0.356 1.00 0.00 N ATOM 795 CA SER A 59 -14.955 7.751 -0.271 1.00 0.00 C ATOM 796 C SER A 59 -15.529 6.396 0.151 1.00 0.00 C ATOM 797 O SER A 59 -16.176 5.708 -0.642 1.00 0.00 O ATOM 798 CB SER A 59 -14.835 7.829 -1.799 1.00 0.00 C ATOM 799 OG SER A 59 -16.112 7.939 -2.407 1.00 0.00 O ATOM 0 H SER A 59 -13.160 7.126 0.622 1.00 0.00 H new ATOM 0 HA SER A 59 -15.638 8.532 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.222 8.687 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.326 6.940 -2.173 1.00 0.00 H new ATOM 0 HG SER A 59 -16.680 7.198 -2.110 1.00 0.00 H new ATOM 805 N LEU A 60 -15.285 6.019 1.405 1.00 0.00 N ATOM 806 CA LEU A 60 -15.772 4.749 1.934 1.00 0.00 C ATOM 807 C LEU A 60 -15.819 4.779 3.463 1.00 0.00 C ATOM 808 O LEU A 60 -14.800 4.580 4.125 1.00 0.00 O ATOM 809 CB LEU A 60 -14.884 3.592 1.454 1.00 0.00 C ATOM 810 CG LEU A 60 -13.372 3.844 1.530 1.00 0.00 C ATOM 811 CD1 LEU A 60 -12.690 2.737 2.321 1.00 0.00 C ATOM 812 CD2 LEU A 60 -12.775 3.952 0.133 1.00 0.00 C ATOM 0 H LEU A 60 -14.752 6.576 2.073 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.784 4.592 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.118 2.708 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.145 3.361 0.421 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.205 4.790 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.618 2.930 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.097 2.709 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.866 1.779 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.702 4.131 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.951 3.024 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.244 4.779 -0.400 1.00 0.00 H new ATOM 824 N PRO A 61 -17.012 5.036 4.042 1.00 0.00 N ATOM 825 CA PRO A 61 -17.201 5.099 5.501 1.00 0.00 C ATOM 826 C PRO A 61 -16.781 3.808 6.206 1.00 0.00 C ATOM 827 O PRO A 61 -16.432 2.822 5.554 1.00 0.00 O ATOM 828 CB PRO A 61 -18.711 5.329 5.660 1.00 0.00 C ATOM 829 CG PRO A 61 -19.155 5.909 4.361 1.00 0.00 C ATOM 830 CD PRO A 61 -18.273 5.292 3.314 1.00 0.00 C ATOM 0 HA PRO A 61 -16.587 5.879 5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.232 4.395 5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -18.921 6.007 6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.204 5.684 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -19.058 6.995 4.364 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.702 4.372 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.121 5.964 2.469 1.00 0.00 H new ATOM 838 N ARG A 62 -16.821 3.823 7.545 1.00 0.00 N ATOM 839 CA ARG A 62 -16.447 2.654 8.350 1.00 0.00 C ATOM 840 C ARG A 62 -17.103 1.373 7.824 1.00 0.00 C ATOM 841 O ARG A 62 -16.521 0.293 7.916 1.00 0.00 O ATOM 842 CB ARG A 62 -16.811 2.868 9.828 1.00 0.00 C ATOM 843 CG ARG A 62 -18.251 3.310 10.069 1.00 0.00 C ATOM 844 CD ARG A 62 -18.316 4.504 11.015 1.00 0.00 C ATOM 845 NE ARG A 62 -19.272 4.300 12.105 1.00 0.00 N ATOM 846 CZ ARG A 62 -19.261 4.989 13.252 1.00 0.00 C ATOM 847 NH1 ARG A 62 -18.352 5.940 13.467 1.00 0.00 N ATOM 848 NH2 ARG A 62 -20.165 4.730 14.189 1.00 0.00 N ATOM 0 H ARG A 62 -17.109 4.633 8.094 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.366 2.537 8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.634 1.939 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.140 3.616 10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.717 3.571 9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.822 2.481 10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.326 4.687 11.433 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.595 5.395 10.453 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.992 3.588 11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.654 6.149 12.753 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.354 6.458 14.346 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.867 4.006 14.034 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.158 5.255 15.064 1.00 0.00 H new ATOM 862 N ASN A 63 -18.308 1.503 7.261 1.00 0.00 N ATOM 863 CA ASN A 63 -19.031 0.358 6.710 1.00 0.00 C ATOM 864 C ASN A 63 -18.180 -0.382 5.675 1.00 0.00 C ATOM 865 O ASN A 63 -18.047 -1.605 5.731 1.00 0.00 O ATOM 866 CB ASN A 63 -20.349 0.811 6.076 1.00 0.00 C ATOM 867 CG ASN A 63 -21.549 0.117 6.692 1.00 0.00 C ATOM 868 OD1 ASN A 63 -21.710 -1.096 6.566 1.00 0.00 O ATOM 869 ND2 ASN A 63 -22.399 0.886 7.365 1.00 0.00 N ATOM 0 H ASN A 63 -18.802 2.391 7.176 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.249 -0.326 7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -20.455 1.889 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -20.324 0.608 5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -23.223 0.474 7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -22.227 1.888 7.445 1.00 0.00 H new ATOM 876 N GLU A 64 -17.600 0.369 4.736 1.00 0.00 N ATOM 877 CA GLU A 64 -16.757 -0.217 3.695 1.00 0.00 C ATOM 878 C GLU A 64 -15.364 -0.532 4.235 1.00 0.00 C ATOM 879 O GLU A 64 -14.777 -1.559 3.889 1.00 0.00 O ATOM 880 CB GLU A 64 -16.649 0.726 2.493 1.00 0.00 C ATOM 881 CG GLU A 64 -17.510 0.305 1.313 1.00 0.00 C ATOM 882 CD GLU A 64 -18.114 1.483 0.569 1.00 0.00 C ATOM 883 OE1 GLU A 64 -17.347 2.297 0.016 1.00 0.00 O ATOM 884 OE2 GLU A 64 -19.357 1.587 0.539 1.00 0.00 O ATOM 0 H GLU A 64 -17.699 1.382 4.676 1.00 0.00 H new ATOM 0 HA GLU A 64 -17.224 -1.148 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.937 1.731 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.608 0.777 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.907 -0.283 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -18.311 -0.343 1.668 1.00 0.00 H new ATOM 891 N GLN A 65 -14.839 0.352 5.086 1.00 0.00 N ATOM 892 CA GLN A 65 -13.516 0.155 5.672 1.00 0.00 C ATOM 893 C GLN A 65 -13.456 -1.157 6.453 1.00 0.00 C ATOM 894 O GLN A 65 -12.460 -1.876 6.390 1.00 0.00 O ATOM 895 CB GLN A 65 -13.148 1.326 6.589 1.00 0.00 C ATOM 896 CG GLN A 65 -12.382 2.438 5.886 1.00 0.00 C ATOM 897 CD GLN A 65 -11.563 3.279 6.846 1.00 0.00 C ATOM 898 OE1 GLN A 65 -12.101 4.115 7.572 1.00 0.00 O ATOM 899 NE2 GLN A 65 -10.252 3.063 6.855 1.00 0.00 N ATOM 0 H GLN A 65 -15.309 1.207 5.382 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.795 0.108 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.060 1.741 7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.548 0.952 7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.722 2.002 5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.086 3.080 5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.847 2.360 6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.651 3.600 7.480 1.00 0.00 H new ATOM 908 N GLU A 66 -14.528 -1.467 7.185 1.00 0.00 N ATOM 909 CA GLU A 66 -14.592 -2.699 7.969 1.00 0.00 C ATOM 910 C GLU A 66 -14.477 -3.926 7.067 1.00 0.00 C ATOM 911 O GLU A 66 -13.764 -4.879 7.389 1.00 0.00 O ATOM 912 CB GLU A 66 -15.898 -2.761 8.767 1.00 0.00 C ATOM 913 CG GLU A 66 -15.694 -2.743 10.273 1.00 0.00 C ATOM 914 CD GLU A 66 -15.523 -4.134 10.851 1.00 0.00 C ATOM 915 OE1 GLU A 66 -16.519 -4.888 10.890 1.00 0.00 O ATOM 916 OE2 GLU A 66 -14.393 -4.469 11.266 1.00 0.00 O ATOM 0 H GLU A 66 -15.361 -0.882 7.250 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.752 -2.698 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.527 -1.917 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.438 -3.667 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.815 -2.144 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.548 -2.258 10.747 1.00 0.00 H new ATOM 923 N LYS A 67 -15.176 -3.890 5.932 1.00 0.00 N ATOM 924 CA LYS A 67 -15.149 -4.996 4.975 1.00 0.00 C ATOM 925 C LYS A 67 -13.745 -5.173 4.393 1.00 0.00 C ATOM 926 O LYS A 67 -13.261 -6.297 4.251 1.00 0.00 O ATOM 927 CB LYS A 67 -16.157 -4.761 3.841 1.00 0.00 C ATOM 928 CG LYS A 67 -17.558 -4.401 4.317 1.00 0.00 C ATOM 929 CD LYS A 67 -18.413 -5.640 4.534 1.00 0.00 C ATOM 930 CE LYS A 67 -18.675 -5.889 6.013 1.00 0.00 C ATOM 931 NZ LYS A 67 -20.095 -6.262 6.276 1.00 0.00 N ATOM 0 H LYS A 67 -15.768 -3.107 5.653 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.427 -5.905 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.786 -3.961 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.213 -5.660 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.493 -3.836 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.036 -3.752 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.362 -5.524 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.914 -6.507 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.020 -6.685 6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.425 -4.993 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.229 -6.422 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.720 -5.493 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.328 -7.132 5.755 1.00 0.00 H new ATOM 945 N TRP A 68 -13.094 -4.054 4.069 1.00 0.00 N ATOM 946 CA TRP A 68 -11.743 -4.083 3.512 1.00 0.00 C ATOM 947 C TRP A 68 -10.721 -4.525 4.562 1.00 0.00 C ATOM 948 O TRP A 68 -9.742 -5.191 4.234 1.00 0.00 O ATOM 949 CB TRP A 68 -11.356 -2.708 2.957 1.00 0.00 C ATOM 950 CG TRP A 68 -11.429 -2.624 1.461 1.00 0.00 C ATOM 951 CD1 TRP A 68 -10.877 -3.493 0.563 1.00 0.00 C ATOM 952 CD2 TRP A 68 -12.088 -1.614 0.688 1.00 0.00 C ATOM 953 NE1 TRP A 68 -11.153 -3.084 -0.720 1.00 0.00 N ATOM 954 CE2 TRP A 68 -11.897 -1.933 -0.669 1.00 0.00 C ATOM 955 CE3 TRP A 68 -12.826 -0.471 1.014 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -12.410 -1.149 -1.698 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -13.335 0.306 -0.010 1.00 0.00 C ATOM 958 CH2 TRP A 68 -13.128 -0.037 -1.351 1.00 0.00 C ATOM 0 H TRP A 68 -13.482 -3.117 4.183 1.00 0.00 H new ATOM 0 HA TRP A 68 -11.738 -4.808 2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -12.014 -1.953 3.388 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -10.342 -2.468 3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -10.307 -4.373 0.823 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -10.853 -3.559 -1.571 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -12.995 -0.201 2.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -12.247 -1.409 -2.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -13.902 1.193 0.229 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -13.543 0.588 -2.127 1.00 0.00 H new ATOM 969 N ARG A 69 -10.953 -4.149 5.822 1.00 0.00 N ATOM 970 CA ARG A 69 -10.047 -4.512 6.912 1.00 0.00 C ATOM 971 C ARG A 69 -9.879 -6.028 7.003 1.00 0.00 C ATOM 972 O ARG A 69 -8.762 -6.527 7.144 1.00 0.00 O ATOM 973 CB ARG A 69 -10.564 -3.963 8.249 1.00 0.00 C ATOM 974 CG ARG A 69 -9.471 -3.389 9.138 1.00 0.00 C ATOM 975 CD ARG A 69 -9.928 -2.117 9.835 1.00 0.00 C ATOM 976 NE ARG A 69 -10.528 -2.391 11.141 1.00 0.00 N ATOM 977 CZ ARG A 69 -9.827 -2.614 12.256 1.00 0.00 C ATOM 978 NH1 ARG A 69 -8.494 -2.609 12.231 1.00 0.00 N ATOM 979 NH2 ARG A 69 -10.460 -2.851 13.400 1.00 0.00 N ATOM 0 H ARG A 69 -11.759 -3.595 6.111 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.075 -4.068 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.304 -3.187 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.075 -4.762 8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.181 -4.129 9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.586 -3.178 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.077 -1.447 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.651 -1.599 9.206 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.546 -2.413 11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.001 -2.434 11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.967 -2.780 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.480 -2.862 13.426 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.926 -3.022 14.252 1.00 0.00 H new ATOM 993 N ILE A 70 -10.994 -6.753 6.918 1.00 0.00 N ATOM 994 CA ILE A 70 -10.968 -8.213 6.986 1.00 0.00 C ATOM 995 C ILE A 70 -10.440 -8.813 5.682 1.00 0.00 C ATOM 996 O ILE A 70 -9.670 -9.776 5.701 1.00 0.00 O ATOM 997 CB ILE A 70 -12.369 -8.794 7.289 1.00 0.00 C ATOM 998 CG1 ILE A 70 -12.999 -8.080 8.491 1.00 0.00 C ATOM 999 CG2 ILE A 70 -12.275 -10.294 7.545 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -14.505 -8.222 8.563 1.00 0.00 C ATOM 0 H ILE A 70 -11.925 -6.353 6.802 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.297 -8.481 7.802 1.00 0.00 H new ATOM 0 HB ILE A 70 -13.008 -8.630 6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.561 -8.476 9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.744 -7.021 8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.268 -10.690 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.868 -10.789 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.622 -10.477 8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.879 -7.691 9.439 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.954 -7.800 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -14.768 -9.277 8.639 1.00 0.00 H new ATOM 1012 N ALA A 71 -10.856 -8.237 4.551 1.00 0.00 N ATOM 1013 CA ALA A 71 -10.425 -8.714 3.237 1.00 0.00 C ATOM 1014 C ALA A 71 -8.909 -8.611 3.081 1.00 0.00 C ATOM 1015 O ALA A 71 -8.246 -9.600 2.772 1.00 0.00 O ATOM 1016 CB ALA A 71 -11.132 -7.945 2.128 1.00 0.00 C ATOM 0 H ALA A 71 -11.491 -7.439 4.520 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.699 -9.766 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.798 -8.315 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.209 -8.085 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.896 -6.884 2.213 1.00 0.00 H new ATOM 1022 N PHE A 72 -8.367 -7.411 3.303 1.00 0.00 N ATOM 1023 CA PHE A 72 -6.925 -7.180 3.191 1.00 0.00 C ATOM 1024 C PHE A 72 -6.149 -8.095 4.137 1.00 0.00 C ATOM 1025 O PHE A 72 -5.100 -8.622 3.775 1.00 0.00 O ATOM 1026 CB PHE A 72 -6.585 -5.715 3.486 1.00 0.00 C ATOM 1027 CG PHE A 72 -5.862 -5.021 2.362 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -6.382 -5.021 1.074 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -4.659 -4.369 2.592 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -5.717 -4.386 0.043 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -3.992 -3.732 1.561 1.00 0.00 C ATOM 1032 CZ PHE A 72 -4.521 -3.742 0.287 1.00 0.00 C ATOM 0 H PHE A 72 -8.905 -6.584 3.561 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.631 -7.410 2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.506 -5.174 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.970 -5.668 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.317 -5.523 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.239 -4.359 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.133 -4.394 -0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.057 -3.227 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.000 -3.246 -0.519 1.00 0.00 H new ATOM 1042 N GLN A 73 -6.674 -8.289 5.349 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.026 -9.153 6.333 1.00 0.00 C ATOM 1044 C GLN A 73 -6.027 -10.614 5.871 1.00 0.00 C ATOM 1045 O GLN A 73 -5.140 -11.386 6.234 1.00 0.00 O ATOM 1046 CB GLN A 73 -6.720 -9.035 7.693 1.00 0.00 C ATOM 1047 CG GLN A 73 -5.766 -9.130 8.872 1.00 0.00 C ATOM 1048 CD GLN A 73 -6.259 -10.078 9.948 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -7.078 -9.709 10.788 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -5.760 -11.311 9.928 1.00 0.00 N ATOM 0 H GLN A 73 -7.542 -7.861 5.670 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.992 -8.824 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.249 -8.083 7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.470 -9.821 7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.790 -9.464 8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.627 -8.138 9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.082 -11.575 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.055 -11.992 10.628 1.00 0.00 H new ATOM 1059 N LYS A 74 -7.027 -10.987 5.068 1.00 0.00 N ATOM 1060 CA LYS A 74 -7.136 -12.350 4.558 1.00 0.00 C ATOM 1061 C LYS A 74 -6.238 -12.561 3.336 1.00 0.00 C ATOM 1062 O LYS A 74 -5.754 -13.669 3.100 1.00 0.00 O ATOM 1063 CB LYS A 74 -8.590 -12.657 4.190 1.00 0.00 C ATOM 1064 CG LYS A 74 -9.091 -13.995 4.722 1.00 0.00 C ATOM 1065 CD LYS A 74 -9.955 -14.722 3.697 1.00 0.00 C ATOM 1066 CE LYS A 74 -10.236 -16.158 4.119 1.00 0.00 C ATOM 1067 NZ LYS A 74 -11.676 -16.524 3.961 1.00 0.00 N ATOM 0 H LYS A 74 -7.771 -10.362 4.759 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.807 -13.030 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.228 -11.862 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.690 -12.648 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.240 -14.621 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.667 -13.832 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.897 -14.188 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.454 -14.718 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.624 -16.836 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.941 -16.293 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.819 -17.510 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.260 -15.896 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.953 -16.422 2.964 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.027 -11.498 2.554 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.198 -11.583 1.354 1.00 0.00 C ATOM 1083 C VAL A 75 -3.716 -11.399 1.681 1.00 0.00 C ATOM 1084 O VAL A 75 -2.876 -12.184 1.239 1.00 0.00 O ATOM 1085 CB VAL A 75 -5.616 -10.536 0.294 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -4.867 -10.765 -1.012 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -7.123 -10.573 0.066 1.00 0.00 C ATOM 0 H VAL A 75 -6.418 -10.573 2.732 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.352 -12.582 0.945 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.353 -9.547 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.175 -10.018 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.795 -10.680 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.094 -11.761 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.396 -9.829 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.414 -11.564 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.638 -10.353 1.001 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.399 -10.360 2.453 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.014 -10.084 2.825 1.00 0.00 C ATOM 1099 C VAL A 76 -1.792 -10.182 4.336 1.00 0.00 C ATOM 1100 O VAL A 76 -0.771 -10.711 4.781 1.00 0.00 O ATOM 1101 CB VAL A 76 -1.544 -8.696 2.332 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -1.218 -8.740 0.846 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -2.586 -7.624 2.625 1.00 0.00 C ATOM 0 H VAL A 76 -4.079 -9.700 2.830 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.419 -10.852 2.332 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.637 -8.435 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.889 -7.755 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.424 -9.466 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.107 -9.031 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.226 -6.659 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.518 -7.875 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.760 -7.570 3.700 1.00 0.00 H new ATOM 1113 N GLY A 77 -2.741 -9.670 5.118 1.00 0.00 N ATOM 1114 CA GLY A 77 -2.617 -9.714 6.567 1.00 0.00 C ATOM 1115 C GLY A 77 -2.270 -8.365 7.173 1.00 0.00 C ATOM 1116 O GLY A 77 -1.435 -8.285 8.076 1.00 0.00 O ATOM 0 H GLY A 77 -3.593 -9.226 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.554 -10.069 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.848 -10.437 6.839 1.00 0.00 H new ATOM 1120 N SER A 78 -2.914 -7.305 6.683 1.00 0.00 N ATOM 1121 CA SER A 78 -2.669 -5.958 7.186 1.00 0.00 C ATOM 1122 C SER A 78 -3.985 -5.222 7.420 1.00 0.00 C ATOM 1123 O SER A 78 -4.610 -4.728 6.478 1.00 0.00 O ATOM 1124 CB SER A 78 -1.787 -5.166 6.210 1.00 0.00 C ATOM 1125 OG SER A 78 -1.993 -5.583 4.870 1.00 0.00 O ATOM 0 H SER A 78 -3.609 -7.356 5.938 1.00 0.00 H new ATOM 0 HA SER A 78 -2.144 -6.044 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.007 -4.102 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.738 -5.298 6.476 1.00 0.00 H new ATOM 0 HG SER A 78 -2.948 -5.537 4.656 1.00 0.00 H new ATOM 1131 N ARG A 79 -4.399 -5.146 8.685 1.00 0.00 N ATOM 1132 CA ARG A 79 -5.639 -4.462 9.050 1.00 0.00 C ATOM 1133 C ARG A 79 -5.359 -3.014 9.464 1.00 0.00 C ATOM 1134 O ARG A 79 -5.986 -2.488 10.390 1.00 0.00 O ATOM 1135 CB ARG A 79 -6.355 -5.215 10.181 1.00 0.00 C ATOM 1136 CG ARG A 79 -5.448 -5.603 11.341 1.00 0.00 C ATOM 1137 CD ARG A 79 -6.240 -5.817 12.622 1.00 0.00 C ATOM 1138 NE ARG A 79 -6.128 -4.678 13.533 1.00 0.00 N ATOM 1139 CZ ARG A 79 -6.877 -4.518 14.625 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -7.802 -5.418 14.951 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -6.706 -3.450 15.395 1.00 0.00 N ATOM 0 H ARG A 79 -3.894 -5.550 9.474 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.290 -4.447 8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.166 -4.593 10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.809 -6.117 9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.906 -6.515 11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.703 -4.823 11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.289 -5.983 12.376 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.884 -6.718 13.122 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.434 -3.962 13.320 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.943 -6.240 14.364 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.369 -5.286 15.788 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.002 -2.753 15.151 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.278 -3.327 16.230 1.00 0.00 H new ATOM 1155 N ASN A 80 -4.411 -2.376 8.773 1.00 0.00 N ATOM 1156 CA ASN A 80 -4.035 -0.992 9.062 1.00 0.00 C ATOM 1157 C ASN A 80 -3.296 -0.356 7.877 1.00 0.00 C ATOM 1158 O ASN A 80 -3.155 -0.976 6.820 1.00 0.00 O ATOM 1159 CB ASN A 80 -3.159 -0.945 10.321 1.00 0.00 C ATOM 1160 CG ASN A 80 -3.458 0.255 11.202 1.00 0.00 C ATOM 1161 OD1 ASN A 80 -4.612 0.656 11.355 1.00 0.00 O ATOM 1162 ND2 ASN A 80 -2.418 0.835 11.790 1.00 0.00 N ATOM 0 H ASN A 80 -3.888 -2.799 8.006 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.946 -0.418 9.233 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.309 -1.859 10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.110 -0.922 10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.560 1.644 12.395 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.477 0.471 11.637 1.00 0.00 H new ATOM 1169 N LEU A 81 -2.827 0.884 8.060 1.00 0.00 N ATOM 1170 CA LEU A 81 -2.103 1.609 7.008 1.00 0.00 C ATOM 1171 C LEU A 81 -0.892 2.349 7.588 1.00 0.00 C ATOM 1172 O LEU A 81 -0.788 2.513 8.806 1.00 0.00 O ATOM 1173 CB LEU A 81 -3.021 2.608 6.274 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.303 3.047 7.006 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -5.309 1.907 7.068 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -3.988 3.573 8.404 1.00 0.00 C ATOM 0 H LEU A 81 -2.936 1.408 8.929 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.756 0.868 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.438 3.501 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.310 2.165 5.321 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.749 3.862 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.206 2.241 7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.571 1.598 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.871 1.064 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.913 3.875 8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.506 2.789 8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.320 4.431 8.328 1.00 0.00 H new ATOM 1188 N PRO A 82 0.045 2.806 6.726 1.00 0.00 N ATOM 1189 CA PRO A 82 -0.034 2.635 5.267 1.00 0.00 C ATOM 1190 C PRO A 82 0.171 1.186 4.832 1.00 0.00 C ATOM 1191 O PRO A 82 0.939 0.444 5.448 1.00 0.00 O ATOM 1192 CB PRO A 82 1.105 3.515 4.724 1.00 0.00 C ATOM 1193 CG PRO A 82 1.556 4.344 5.881 1.00 0.00 C ATOM 1194 CD PRO A 82 1.261 3.534 7.109 1.00 0.00 C ATOM 0 HA PRO A 82 -1.019 2.912 4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.921 2.905 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.758 4.143 3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.620 4.569 5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.029 5.298 5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.079 2.857 7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.098 4.166 7.982 1.00 0.00 H new ATOM 1202 N THR A 83 -0.522 0.796 3.765 1.00 0.00 N ATOM 1203 CA THR A 83 -0.428 -0.561 3.239 1.00 0.00 C ATOM 1204 C THR A 83 0.146 -0.553 1.819 1.00 0.00 C ATOM 1205 O THR A 83 -0.538 -0.168 0.869 1.00 0.00 O ATOM 1206 CB THR A 83 -1.809 -1.236 3.248 1.00 0.00 C ATOM 1207 OG1 THR A 83 -2.771 -0.440 3.926 1.00 0.00 O ATOM 1208 CG2 THR A 83 -1.805 -2.601 3.903 1.00 0.00 C ATOM 0 H THR A 83 -1.157 1.404 3.247 1.00 0.00 H new ATOM 0 HA THR A 83 0.245 -1.129 3.881 1.00 0.00 H new ATOM 0 HB THR A 83 -2.070 -1.350 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.811 -0.707 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.811 -3.021 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.122 -3.260 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.480 -2.506 4.939 1.00 0.00 H new ATOM 1216 N ILE A 84 1.405 -0.985 1.684 1.00 0.00 N ATOM 1217 CA ILE A 84 2.065 -1.028 0.380 1.00 0.00 C ATOM 1218 C ILE A 84 2.094 -2.456 -0.166 1.00 0.00 C ATOM 1219 O ILE A 84 2.796 -3.320 0.365 1.00 0.00 O ATOM 1220 CB ILE A 84 3.511 -0.480 0.451 1.00 0.00 C ATOM 1221 CG1 ILE A 84 3.540 0.884 1.152 1.00 0.00 C ATOM 1222 CG2 ILE A 84 4.111 -0.375 -0.949 1.00 0.00 C ATOM 1223 CD1 ILE A 84 3.828 0.799 2.638 1.00 0.00 C ATOM 0 H ILE A 84 1.983 -1.308 2.460 1.00 0.00 H new ATOM 0 HA ILE A 84 1.486 -0.393 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 84 4.113 -1.177 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.297 1.510 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.580 1.379 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.128 0.012 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.128 -1.361 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.506 0.300 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.833 1.802 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.058 0.201 3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.801 0.333 2.794 1.00 0.00 H new ATOM 1235 N VAL A 85 1.327 -2.692 -1.230 1.00 0.00 N ATOM 1236 CA VAL A 85 1.258 -4.011 -1.856 1.00 0.00 C ATOM 1237 C VAL A 85 1.755 -3.956 -3.300 1.00 0.00 C ATOM 1238 O VAL A 85 1.160 -3.288 -4.144 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.183 -4.572 -1.840 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.212 -6.003 -2.359 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.783 -4.495 -0.441 1.00 0.00 C ATOM 0 H VAL A 85 0.744 -1.985 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 85 1.900 -4.672 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.790 -3.956 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.236 -6.377 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.163 -6.027 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.416 -6.632 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.797 -4.896 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.173 -5.078 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.809 -3.456 -0.113 1.00 0.00 H new ATOM 1251 N VAL A 86 2.848 -4.668 -3.573 1.00 0.00 N ATOM 1252 CA VAL A 86 3.427 -4.710 -4.912 1.00 0.00 C ATOM 1253 C VAL A 86 3.352 -6.121 -5.490 1.00 0.00 C ATOM 1254 O VAL A 86 3.647 -7.100 -4.800 1.00 0.00 O ATOM 1255 CB VAL A 86 4.894 -4.228 -4.910 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.771 -5.141 -4.065 1.00 0.00 C ATOM 1257 CG2 VAL A 86 5.428 -4.126 -6.333 1.00 0.00 C ATOM 0 H VAL A 86 3.350 -5.224 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 86 2.843 -4.035 -5.537 1.00 0.00 H new ATOM 0 HB VAL A 86 4.921 -3.234 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.798 -4.777 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.406 -5.148 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.738 -6.153 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.463 -3.785 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.379 -5.104 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.824 -3.416 -6.898 1.00 0.00 H new ATOM 1267 N ASN A 87 2.940 -6.220 -6.754 1.00 0.00 N ATOM 1268 CA ASN A 87 2.807 -7.511 -7.427 1.00 0.00 C ATOM 1269 C ASN A 87 1.840 -8.424 -6.666 1.00 0.00 C ATOM 1270 O ASN A 87 2.009 -9.644 -6.642 1.00 0.00 O ATOM 1271 CB ASN A 87 4.175 -8.188 -7.569 1.00 0.00 C ATOM 1272 CG ASN A 87 4.220 -9.159 -8.735 1.00 0.00 C ATOM 1273 OD1 ASN A 87 4.279 -8.751 -9.894 1.00 0.00 O ATOM 1274 ND2 ASN A 87 4.190 -10.453 -8.434 1.00 0.00 N ATOM 0 H ASN A 87 2.692 -5.418 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 87 2.401 -7.333 -8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.943 -7.426 -7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.412 -8.719 -6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.216 -11.150 -9.178 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.141 -10.749 -7.459 1.00 0.00 H new ATOM 1281 N GLY A 88 0.828 -7.818 -6.038 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.147 -8.580 -5.276 1.00 0.00 C ATOM 1283 C GLY A 88 0.452 -9.231 -4.038 1.00 0.00 C ATOM 1284 O GLY A 88 0.014 -10.308 -3.627 1.00 0.00 O ATOM 0 H GLY A 88 0.669 -6.810 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.962 -7.922 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.578 -9.351 -5.914 1.00 0.00 H new ATOM 1288 N LYS A 89 1.447 -8.571 -3.439 1.00 0.00 N ATOM 1289 CA LYS A 89 2.104 -9.072 -2.241 1.00 0.00 C ATOM 1290 C LYS A 89 2.566 -7.913 -1.365 1.00 0.00 C ATOM 1291 O LYS A 89 3.179 -6.955 -1.844 1.00 0.00 O ATOM 1292 CB LYS A 89 3.302 -9.961 -2.591 1.00 0.00 C ATOM 1293 CG LYS A 89 3.065 -10.888 -3.774 1.00 0.00 C ATOM 1294 CD LYS A 89 3.986 -12.098 -3.736 1.00 0.00 C ATOM 1295 CE LYS A 89 3.370 -13.250 -2.951 1.00 0.00 C ATOM 1296 NZ LYS A 89 2.635 -14.204 -3.831 1.00 0.00 N ATOM 0 H LYS A 89 1.814 -7.680 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 89 1.378 -9.673 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.161 -9.326 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.562 -10.562 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.027 -11.221 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.223 -10.340 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.200 -12.424 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.937 -11.817 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.156 -13.784 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.687 -12.852 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.233 -14.970 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.868 -13.702 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.290 -14.606 -4.531 1.00 0.00 H new ATOM 1310 N PHE A 90 2.257 -8.014 -0.083 1.00 0.00 N ATOM 1311 CA PHE A 90 2.620 -6.989 0.899 1.00 0.00 C ATOM 1312 C PHE A 90 4.131 -6.917 1.095 1.00 0.00 C ATOM 1313 O PHE A 90 4.717 -7.734 1.809 1.00 0.00 O ATOM 1314 CB PHE A 90 1.933 -7.273 2.240 1.00 0.00 C ATOM 1315 CG PHE A 90 1.732 -6.050 3.092 1.00 0.00 C ATOM 1316 CD1 PHE A 90 1.165 -4.903 2.560 1.00 0.00 C ATOM 1317 CD2 PHE A 90 2.106 -6.052 4.426 1.00 0.00 C ATOM 1318 CE1 PHE A 90 0.978 -3.782 3.343 1.00 0.00 C ATOM 1319 CE2 PHE A 90 1.921 -4.933 5.212 1.00 0.00 C ATOM 1320 CZ PHE A 90 1.355 -3.796 4.671 1.00 0.00 C ATOM 0 H PHE A 90 1.748 -8.805 0.312 1.00 0.00 H new ATOM 0 HA PHE A 90 2.281 -6.026 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.964 -7.735 2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.528 -7.997 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.866 -4.886 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.547 -6.939 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.537 -2.893 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.219 -4.947 6.250 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.208 -2.920 5.285 1.00 0.00 H new ATOM 1330 N TRP A 91 4.752 -5.928 0.457 1.00 0.00 N ATOM 1331 CA TRP A 91 6.195 -5.735 0.555 1.00 0.00 C ATOM 1332 C TRP A 91 6.538 -4.588 1.511 1.00 0.00 C ATOM 1333 O TRP A 91 7.578 -4.620 2.171 1.00 0.00 O ATOM 1334 CB TRP A 91 6.790 -5.457 -0.832 1.00 0.00 C ATOM 1335 CG TRP A 91 8.244 -5.814 -0.948 1.00 0.00 C ATOM 1336 CD1 TRP A 91 9.287 -5.226 -0.289 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.819 -6.836 -1.775 1.00 0.00 C ATOM 1338 NE1 TRP A 91 10.472 -5.818 -0.653 1.00 0.00 N ATOM 1339 CE2 TRP A 91 10.212 -6.809 -1.566 1.00 0.00 C ATOM 1340 CE3 TRP A 91 8.293 -7.773 -2.670 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 11.082 -7.680 -2.217 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 9.158 -8.635 -3.318 1.00 0.00 C ATOM 1343 CH2 TRP A 91 10.539 -8.585 -3.089 1.00 0.00 C ATOM 0 H TRP A 91 4.276 -5.247 -0.135 1.00 0.00 H new ATOM 0 HA TRP A 91 6.629 -6.652 0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 91 6.227 -6.018 -1.578 1.00 0.00 H new ATOM 0 HB3 TRP A 91 6.665 -4.400 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 91 9.193 -4.413 0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 91 11.395 -5.563 -0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 91 7.230 -7.822 -2.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 12.147 -7.643 -2.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.762 -9.360 -4.013 1.00 0.00 H new ATOM 0 HH2 TRP A 91 11.188 -9.273 -3.610 1.00 0.00 H new ATOM 1354 N GLY A 92 5.666 -3.574 1.584 1.00 0.00 N ATOM 1355 CA GLY A 92 5.924 -2.438 2.462 1.00 0.00 C ATOM 1356 C GLY A 92 4.909 -2.308 3.581 1.00 0.00 C ATOM 1357 O GLY A 92 3.719 -2.550 3.380 1.00 0.00 O ATOM 0 H GLY A 92 4.795 -3.521 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.920 -2.539 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.923 -1.522 1.871 1.00 0.00 H new ATOM 1361 N THR A 93 5.386 -1.919 4.768 1.00 0.00 N ATOM 1362 CA THR A 93 4.518 -1.755 5.936 1.00 0.00 C ATOM 1363 C THR A 93 4.692 -0.373 6.578 1.00 0.00 C ATOM 1364 O THR A 93 5.378 0.493 6.032 1.00 0.00 O ATOM 1365 CB THR A 93 4.809 -2.855 6.966 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.017 -2.594 7.663 1.00 0.00 O ATOM 1367 CG2 THR A 93 4.922 -4.236 6.355 1.00 0.00 C ATOM 0 H THR A 93 6.369 -1.712 4.944 1.00 0.00 H new ATOM 0 HA THR A 93 3.485 -1.838 5.599 1.00 0.00 H new ATOM 0 HB THR A 93 3.955 -2.842 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.180 -3.308 8.315 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.128 -4.965 7.139 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.986 -4.492 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.733 -4.247 5.627 1.00 0.00 H new ATOM 1375 N GLU A 94 4.069 -0.178 7.748 1.00 0.00 N ATOM 1376 CA GLU A 94 4.159 1.096 8.470 1.00 0.00 C ATOM 1377 C GLU A 94 5.391 1.133 9.381 1.00 0.00 C ATOM 1378 O GLU A 94 5.298 1.486 10.558 1.00 0.00 O ATOM 1379 CB GLU A 94 2.880 1.342 9.290 1.00 0.00 C ATOM 1380 CG GLU A 94 2.619 0.302 10.377 1.00 0.00 C ATOM 1381 CD GLU A 94 2.207 0.920 11.704 1.00 0.00 C ATOM 1382 OE1 GLU A 94 2.842 1.908 12.131 1.00 0.00 O ATOM 1383 OE2 GLU A 94 1.246 0.411 12.319 1.00 0.00 O ATOM 0 H GLU A 94 3.499 -0.885 8.213 1.00 0.00 H new ATOM 0 HA GLU A 94 4.262 1.891 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.944 2.326 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.027 1.364 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.837 -0.378 10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.519 -0.295 10.524 1.00 0.00 H new ATOM 1390 N SER A 95 6.548 0.776 8.823 1.00 0.00 N ATOM 1391 CA SER A 95 7.807 0.773 9.573 1.00 0.00 C ATOM 1392 C SER A 95 8.991 0.495 8.650 1.00 0.00 C ATOM 1393 O SER A 95 10.030 1.148 8.751 1.00 0.00 O ATOM 1394 CB SER A 95 7.769 -0.265 10.701 1.00 0.00 C ATOM 1395 OG SER A 95 8.386 0.235 11.877 1.00 0.00 O ATOM 0 H SER A 95 6.641 0.484 7.850 1.00 0.00 H new ATOM 0 HA SER A 95 7.932 1.763 10.013 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.735 -0.535 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.276 -1.175 10.379 1.00 0.00 H new ATOM 0 HG SER A 95 8.347 -0.445 12.581 1.00 0.00 H new ATOM 1401 N GLN A 96 8.821 -0.473 7.747 1.00 0.00 N ATOM 1402 CA GLN A 96 9.870 -0.834 6.800 1.00 0.00 C ATOM 1403 C GLN A 96 10.385 0.392 6.038 1.00 0.00 C ATOM 1404 O GLN A 96 11.566 0.462 5.695 1.00 0.00 O ATOM 1405 CB GLN A 96 9.351 -1.878 5.811 1.00 0.00 C ATOM 1406 CG GLN A 96 10.393 -2.907 5.410 1.00 0.00 C ATOM 1407 CD GLN A 96 9.875 -3.887 4.378 1.00 0.00 C ATOM 1408 OE1 GLN A 96 9.525 -5.020 4.705 1.00 0.00 O ATOM 1409 NE2 GLN A 96 9.825 -3.457 3.123 1.00 0.00 N ATOM 0 H GLN A 96 7.965 -1.020 7.654 1.00 0.00 H new ATOM 0 HA GLN A 96 10.700 -1.253 7.369 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.497 -2.391 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.990 -1.371 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.270 -2.395 5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.718 -3.454 6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.125 -2.509 2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.486 -4.075 2.385 1.00 0.00 H new ATOM 1418 N LEU A 97 9.496 1.355 5.780 1.00 0.00 N ATOM 1419 CA LEU A 97 9.870 2.575 5.061 1.00 0.00 C ATOM 1420 C LEU A 97 10.993 3.303 5.794 1.00 0.00 C ATOM 1421 O LEU A 97 12.056 3.551 5.227 1.00 0.00 O ATOM 1422 CB LEU A 97 8.662 3.511 4.903 1.00 0.00 C ATOM 1423 CG LEU A 97 7.376 2.849 4.397 1.00 0.00 C ATOM 1424 CD1 LEU A 97 6.151 3.565 4.952 1.00 0.00 C ATOM 1425 CD2 LEU A 97 7.346 2.832 2.872 1.00 0.00 C ATOM 0 H LEU A 97 8.515 1.314 6.057 1.00 0.00 H new ATOM 0 HA LEU A 97 10.219 2.286 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.456 3.975 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.933 4.312 4.215 1.00 0.00 H new ATOM 0 HG LEU A 97 7.358 1.818 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.248 3.081 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.166 3.521 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.162 4.607 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.425 2.358 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.389 3.854 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.203 2.272 2.497 1.00 0.00 H new ATOM 1437 N HIS A 98 10.750 3.632 7.062 1.00 0.00 N ATOM 1438 CA HIS A 98 11.744 4.325 7.883 1.00 0.00 C ATOM 1439 C HIS A 98 13.016 3.490 8.016 1.00 0.00 C ATOM 1440 O HIS A 98 14.123 4.019 7.922 1.00 0.00 O ATOM 1441 CB HIS A 98 11.175 4.633 9.272 1.00 0.00 C ATOM 1442 CG HIS A 98 11.950 5.673 10.028 1.00 0.00 C ATOM 1443 ND1 HIS A 98 13.271 5.762 10.318 1.00 0.00 N flip ATOM 1444 CD2 HIS A 98 11.362 6.786 10.594 1.00 0.00 C flip ATOM 1445 CE1 HIS A 98 13.453 6.913 11.043 1.00 0.00 C flip ATOM 1446 NE2 HIS A 98 12.287 7.513 11.198 1.00 0.00 N flip ATOM 0 H HIS A 98 9.874 3.430 7.544 1.00 0.00 H new ATOM 0 HA HIS A 98 11.993 5.263 7.387 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.143 4.968 9.165 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.152 3.714 9.857 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.310 7.026 10.550 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.398 7.270 11.425 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.127 8.388 11.698 1.00 0.00 H new ATOM 1455 N ARG A 99 12.852 2.182 8.231 1.00 0.00 N ATOM 1456 CA ARG A 99 13.992 1.278 8.377 1.00 0.00 C ATOM 1457 C ARG A 99 14.894 1.312 7.141 1.00 0.00 C ATOM 1458 O ARG A 99 16.121 1.286 7.259 1.00 0.00 O ATOM 1459 CB ARG A 99 13.511 -0.154 8.634 1.00 0.00 C ATOM 1460 CG ARG A 99 13.327 -0.484 10.109 1.00 0.00 C ATOM 1461 CD ARG A 99 14.649 -0.851 10.769 1.00 0.00 C ATOM 1462 NE ARG A 99 15.400 0.332 11.197 1.00 0.00 N ATOM 1463 CZ ARG A 99 16.695 0.318 11.529 1.00 0.00 C ATOM 1464 NH1 ARG A 99 17.386 -0.819 11.509 1.00 0.00 N ATOM 1465 NH2 ARG A 99 17.298 1.444 11.889 1.00 0.00 N ATOM 0 H ARG A 99 11.942 1.728 8.307 1.00 0.00 H new ATOM 0 HA ARG A 99 14.575 1.618 9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.565 -0.308 8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.228 -0.852 8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.888 0.372 10.622 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.625 -1.312 10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.458 -1.490 11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.253 -1.430 10.071 1.00 0.00 H new ATOM 0 HE ARG A 99 14.904 1.222 11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 99 16.928 -1.689 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 99 18.374 -0.820 11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.774 2.319 11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.286 1.435 12.143 1.00 0.00 H new ATOM 1479 N PHE A 100 14.281 1.373 5.958 1.00 0.00 N ATOM 1480 CA PHE A 100 15.032 1.414 4.703 1.00 0.00 C ATOM 1481 C PHE A 100 15.547 2.825 4.421 1.00 0.00 C ATOM 1482 O PHE A 100 16.712 3.007 4.061 1.00 0.00 O ATOM 1483 CB PHE A 100 14.161 0.935 3.535 1.00 0.00 C ATOM 1484 CG PHE A 100 14.189 -0.554 3.325 1.00 0.00 C ATOM 1485 CD1 PHE A 100 15.385 -1.209 3.074 1.00 0.00 C ATOM 1486 CD2 PHE A 100 13.021 -1.298 3.376 1.00 0.00 C ATOM 1487 CE1 PHE A 100 15.415 -2.576 2.878 1.00 0.00 C ATOM 1488 CE2 PHE A 100 13.045 -2.666 3.181 1.00 0.00 C ATOM 1489 CZ PHE A 100 14.244 -3.306 2.932 1.00 0.00 C ATOM 0 H PHE A 100 13.268 1.395 5.843 1.00 0.00 H new ATOM 0 HA PHE A 100 15.886 0.745 4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 100 13.132 1.248 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.493 1.427 2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 100 16.304 -0.644 3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 100 12.081 -0.803 3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 100 16.353 -3.073 2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 100 12.128 -3.234 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 100 14.265 -4.375 2.780 1.00 0.00 H new ATOM 1499 N GLU A 101 14.671 3.819 4.584 1.00 0.00 N ATOM 1500 CA GLU A 101 15.035 5.218 4.344 1.00 0.00 C ATOM 1501 C GLU A 101 16.166 5.662 5.270 1.00 0.00 C ATOM 1502 O GLU A 101 17.094 6.351 4.843 1.00 0.00 O ATOM 1503 CB GLU A 101 13.818 6.129 4.537 1.00 0.00 C ATOM 1504 CG GLU A 101 13.769 7.299 3.562 1.00 0.00 C ATOM 1505 CD GLU A 101 12.819 7.064 2.402 1.00 0.00 C ATOM 1506 OE1 GLU A 101 11.683 6.597 2.644 1.00 0.00 O ATOM 1507 OE2 GLU A 101 13.208 7.352 1.250 1.00 0.00 O ATOM 0 H GLU A 101 13.705 3.682 4.881 1.00 0.00 H new ATOM 0 HA GLU A 101 15.382 5.298 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.910 5.536 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.823 6.516 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.465 8.198 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.770 7.483 3.173 1.00 0.00 H new ATOM 1514 N ALA A 102 16.082 5.257 6.537 1.00 0.00 N ATOM 1515 CA ALA A 102 17.097 5.604 7.531 1.00 0.00 C ATOM 1516 C ALA A 102 18.463 5.052 7.132 1.00 0.00 C ATOM 1517 O ALA A 102 19.468 5.756 7.199 1.00 0.00 O ATOM 1518 CB ALA A 102 16.695 5.085 8.905 1.00 0.00 C ATOM 0 H ALA A 102 15.319 4.686 6.900 1.00 0.00 H new ATOM 0 HA ALA A 102 17.170 6.691 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.461 5.352 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 102 15.745 5.531 9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.591 4.001 8.868 1.00 0.00 H new ATOM 1524 N LYS A 103 18.488 3.786 6.711 1.00 0.00 N ATOM 1525 CA LYS A 103 19.724 3.137 6.291 1.00 0.00 C ATOM 1526 C LYS A 103 20.227 3.707 4.964 1.00 0.00 C ATOM 1527 O LYS A 103 21.426 3.676 4.683 1.00 0.00 O ATOM 1528 CB LYS A 103 19.507 1.631 6.151 1.00 0.00 C ATOM 1529 CG LYS A 103 19.471 0.892 7.478 1.00 0.00 C ATOM 1530 CD LYS A 103 19.822 -0.577 7.307 1.00 0.00 C ATOM 1531 CE LYS A 103 18.643 -1.474 7.644 1.00 0.00 C ATOM 1532 NZ LYS A 103 19.051 -2.901 7.777 1.00 0.00 N ATOM 0 H LYS A 103 17.662 3.191 6.653 1.00 0.00 H new ATOM 0 HA LYS A 103 20.477 3.328 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 103 18.570 1.456 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 103 20.304 1.214 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 103 20.171 1.356 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.478 0.981 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 103 20.137 -0.760 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.666 -0.828 7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.186 -1.139 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 103 17.884 -1.384 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 18.218 -3.480 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.464 -3.229 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.756 -2.991 8.536 1.00 0.00 H new ATOM 1546 N GLY A 104 19.302 4.217 4.148 1.00 0.00 N ATOM 1547 CA GLY A 104 19.666 4.775 2.855 1.00 0.00 C ATOM 1548 C GLY A 104 19.586 3.749 1.735 1.00 0.00 C ATOM 1549 O GLY A 104 20.256 3.894 0.711 1.00 0.00 O ATOM 0 H GLY A 104 18.305 4.253 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.006 5.611 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 104 20.679 5.173 2.907 1.00 0.00 H new ATOM 1553 N THR A 105 18.768 2.711 1.931 1.00 0.00 N ATOM 1554 CA THR A 105 18.602 1.655 0.931 1.00 0.00 C ATOM 1555 C THR A 105 17.187 1.651 0.336 1.00 0.00 C ATOM 1556 O THR A 105 16.759 0.656 -0.253 1.00 0.00 O ATOM 1557 CB THR A 105 18.920 0.289 1.552 1.00 0.00 C ATOM 1558 OG1 THR A 105 18.364 0.181 2.854 1.00 0.00 O ATOM 1559 CG2 THR A 105 20.406 0.018 1.666 1.00 0.00 C ATOM 0 H THR A 105 18.210 2.580 2.775 1.00 0.00 H new ATOM 0 HA THR A 105 19.300 1.854 0.118 1.00 0.00 H new ATOM 0 HB THR A 105 18.480 -0.443 0.875 1.00 0.00 H new ATOM 0 HG1 THR A 105 18.578 -0.699 3.229 1.00 0.00 H new ATOM 0 HG21 THR A 105 20.564 -0.964 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 105 20.857 0.042 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.868 0.780 2.293 1.00 0.00 H new ATOM 1567 N LEU A 106 16.468 2.771 0.477 1.00 0.00 N ATOM 1568 CA LEU A 106 15.112 2.889 -0.063 1.00 0.00 C ATOM 1569 C LEU A 106 15.142 2.860 -1.592 1.00 0.00 C ATOM 1570 O LEU A 106 14.335 2.174 -2.221 1.00 0.00 O ATOM 1571 CB LEU A 106 14.443 4.180 0.426 1.00 0.00 C ATOM 1572 CG LEU A 106 12.930 4.093 0.678 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.188 3.693 -0.587 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.627 3.119 1.806 1.00 0.00 C ATOM 0 H LEU A 106 16.803 3.605 0.959 1.00 0.00 H new ATOM 0 HA LEU A 106 14.529 2.040 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.929 4.492 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.626 4.963 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 106 12.582 5.082 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.119 3.639 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.370 4.434 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.542 2.719 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.550 3.073 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.997 2.129 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.117 3.456 2.719 1.00 0.00 H new ATOM 1586 N GLU A 107 16.083 3.604 -2.183 1.00 0.00 N ATOM 1587 CA GLU A 107 16.220 3.653 -3.638 1.00 0.00 C ATOM 1588 C GLU A 107 16.379 2.247 -4.213 1.00 0.00 C ATOM 1589 O GLU A 107 15.741 1.901 -5.209 1.00 0.00 O ATOM 1590 CB GLU A 107 17.413 4.524 -4.045 1.00 0.00 C ATOM 1591 CG GLU A 107 17.040 5.972 -4.330 1.00 0.00 C ATOM 1592 CD GLU A 107 18.129 6.728 -5.070 1.00 0.00 C ATOM 1593 OE1 GLU A 107 18.520 6.286 -6.171 1.00 0.00 O ATOM 1594 OE2 GLU A 107 18.587 7.767 -4.548 1.00 0.00 O ATOM 0 H GLU A 107 16.757 4.178 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 107 15.311 4.097 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.158 4.499 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.879 4.096 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.123 5.997 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.828 6.479 -3.389 1.00 0.00 H new ATOM 1601 N GLU A 108 17.221 1.434 -3.570 1.00 0.00 N ATOM 1602 CA GLU A 108 17.451 0.060 -4.011 1.00 0.00 C ATOM 1603 C GLU A 108 16.149 -0.741 -3.987 1.00 0.00 C ATOM 1604 O GLU A 108 15.896 -1.553 -4.879 1.00 0.00 O ATOM 1605 CB GLU A 108 18.501 -0.621 -3.130 1.00 0.00 C ATOM 1606 CG GLU A 108 19.207 -1.782 -3.817 1.00 0.00 C ATOM 1607 CD GLU A 108 20.709 -1.760 -3.612 1.00 0.00 C ATOM 1608 OE1 GLU A 108 21.378 -0.896 -4.217 1.00 0.00 O ATOM 1609 OE2 GLU A 108 21.217 -2.606 -2.845 1.00 0.00 O ATOM 0 H GLU A 108 17.753 1.705 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 108 17.822 0.093 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.243 0.117 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.021 -0.984 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 108 18.807 -2.721 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.990 -1.753 -4.885 1.00 0.00 H new ATOM 1616 N GLU A 109 15.322 -0.503 -2.965 1.00 0.00 N ATOM 1617 CA GLU A 109 14.042 -1.198 -2.832 1.00 0.00 C ATOM 1618 C GLU A 109 13.181 -0.989 -4.079 1.00 0.00 C ATOM 1619 O GLU A 109 12.543 -1.925 -4.562 1.00 0.00 O ATOM 1620 CB GLU A 109 13.287 -0.710 -1.592 1.00 0.00 C ATOM 1621 CG GLU A 109 12.234 -1.690 -1.094 1.00 0.00 C ATOM 1622 CD GLU A 109 10.840 -1.362 -1.601 1.00 0.00 C ATOM 1623 OE1 GLU A 109 10.337 -0.263 -1.288 1.00 0.00 O ATOM 1624 OE2 GLU A 109 10.252 -2.208 -2.308 1.00 0.00 O ATOM 0 H GLU A 109 15.517 0.165 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 109 14.249 -2.263 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.003 -0.521 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.807 0.241 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.503 -2.698 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.229 -1.689 -0.004 1.00 0.00 H new ATOM 1631 N LEU A 110 13.172 0.242 -4.600 1.00 0.00 N ATOM 1632 CA LEU A 110 12.394 0.570 -5.796 1.00 0.00 C ATOM 1633 C LEU A 110 13.099 0.096 -7.072 1.00 0.00 C ATOM 1634 O LEU A 110 12.456 -0.095 -8.107 1.00 0.00 O ATOM 1635 CB LEU A 110 12.133 2.078 -5.870 1.00 0.00 C ATOM 1636 CG LEU A 110 10.721 2.512 -5.465 1.00 0.00 C ATOM 1637 CD1 LEU A 110 10.759 3.824 -4.695 1.00 0.00 C ATOM 1638 CD2 LEU A 110 9.827 2.636 -6.692 1.00 0.00 C ATOM 0 H LEU A 110 13.695 1.027 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 110 11.441 0.046 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.851 2.588 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.322 2.414 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 110 10.304 1.746 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.745 4.113 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.360 3.700 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.199 4.600 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.828 2.945 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.244 3.379 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.769 1.673 -7.199 1.00 0.00 H new ATOM 1650 N THR A 111 14.418 -0.099 -6.997 1.00 0.00 N ATOM 1651 CA THR A 111 15.195 -0.557 -8.148 1.00 0.00 C ATOM 1652 C THR A 111 15.024 -2.065 -8.370 1.00 0.00 C ATOM 1653 O THR A 111 15.171 -2.549 -9.493 1.00 0.00 O ATOM 1654 CB THR A 111 16.681 -0.218 -7.970 1.00 0.00 C ATOM 1655 OG1 THR A 111 16.844 1.138 -7.594 1.00 0.00 O ATOM 1656 CG2 THR A 111 17.504 -0.445 -9.221 1.00 0.00 C ATOM 0 H THR A 111 14.968 0.053 -6.152 1.00 0.00 H new ATOM 0 HA THR A 111 14.817 -0.036 -9.028 1.00 0.00 H new ATOM 0 HB THR A 111 17.038 -0.893 -7.192 1.00 0.00 H new ATOM 0 HG1 THR A 111 16.479 1.274 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 111 18.544 -0.185 -9.024 1.00 0.00 H new ATOM 0 HG22 THR A 111 17.440 -1.493 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.120 0.180 -10.027 1.00 0.00 H new ATOM 1664 N LYS A 112 14.721 -2.805 -7.297 1.00 0.00 N ATOM 1665 CA LYS A 112 14.540 -4.259 -7.383 1.00 0.00 C ATOM 1666 C LYS A 112 13.425 -4.646 -8.366 1.00 0.00 C ATOM 1667 O LYS A 112 13.424 -5.757 -8.899 1.00 0.00 O ATOM 1668 CB LYS A 112 14.232 -4.832 -5.994 1.00 0.00 C ATOM 1669 CG LYS A 112 14.868 -6.188 -5.730 1.00 0.00 C ATOM 1670 CD LYS A 112 14.006 -7.039 -4.809 1.00 0.00 C ATOM 1671 CE LYS A 112 14.799 -7.568 -3.621 1.00 0.00 C ATOM 1672 NZ LYS A 112 14.935 -6.550 -2.538 1.00 0.00 N ATOM 0 H LYS A 112 14.596 -2.422 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 112 15.471 -4.682 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.576 -4.127 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.152 -4.920 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.018 -6.711 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.852 -6.048 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.164 -6.447 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.591 -7.876 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.307 -8.456 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.790 -7.876 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.481 -6.952 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.428 -5.712 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.991 -6.275 -2.200 1.00 0.00 H new ATOM 1686 N ILE A 113 12.486 -3.728 -8.613 1.00 0.00 N ATOM 1687 CA ILE A 113 11.381 -3.986 -9.543 1.00 0.00 C ATOM 1688 C ILE A 113 11.600 -3.297 -10.892 1.00 0.00 C ATOM 1689 O ILE A 113 11.045 -3.725 -11.907 1.00 0.00 O ATOM 1690 CB ILE A 113 10.006 -3.545 -8.978 1.00 0.00 C ATOM 1691 CG1 ILE A 113 10.120 -2.239 -8.176 1.00 0.00 C ATOM 1692 CG2 ILE A 113 9.403 -4.655 -8.128 1.00 0.00 C ATOM 1693 CD1 ILE A 113 10.564 -2.430 -6.740 1.00 0.00 C ATOM 0 H ILE A 113 12.468 -2.803 -8.184 1.00 0.00 H new ATOM 0 HA ILE A 113 11.370 -5.067 -9.682 1.00 0.00 H new ATOM 0 HB ILE A 113 9.341 -3.352 -9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.826 -1.578 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.153 -1.736 -8.182 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.438 -4.331 -7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.267 -5.548 -8.739 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.072 -4.882 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.619 -1.461 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.847 -3.064 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.546 -2.903 -6.723 1.00 0.00 H new ATOM 1705 N GLY A 114 12.407 -2.233 -10.905 1.00 0.00 N ATOM 1706 CA GLY A 114 12.674 -1.513 -12.141 1.00 0.00 C ATOM 1707 C GLY A 114 11.869 -0.227 -12.271 1.00 0.00 C ATOM 1708 O GLY A 114 11.643 0.252 -13.383 1.00 0.00 O ATOM 0 H GLY A 114 12.879 -1.859 -10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.737 -1.276 -12.194 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.450 -2.162 -12.988 1.00 0.00 H new ATOM 1712 N LEU A 115 11.441 0.335 -11.140 1.00 0.00 N ATOM 1713 CA LEU A 115 10.664 1.574 -11.142 1.00 0.00 C ATOM 1714 C LEU A 115 11.578 2.792 -10.975 1.00 0.00 C ATOM 1715 O LEU A 115 11.359 3.832 -11.598 1.00 0.00 O ATOM 1716 CB LEU A 115 9.611 1.544 -10.024 1.00 0.00 C ATOM 1717 CG LEU A 115 8.216 2.052 -10.411 1.00 0.00 C ATOM 1718 CD1 LEU A 115 8.264 3.521 -10.804 1.00 0.00 C ATOM 1719 CD2 LEU A 115 7.632 1.215 -11.542 1.00 0.00 C ATOM 0 H LEU A 115 11.619 -0.048 -10.212 1.00 0.00 H new ATOM 0 HA LEU A 115 10.157 1.656 -12.103 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.518 0.519 -9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.977 2.142 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 115 7.568 1.953 -9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.263 3.858 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.631 4.111 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.932 3.648 -11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.643 1.592 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.283 1.277 -12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.552 0.176 -11.222 1.00 0.00 H new ATOM 1731 N LEU A 116 12.604 2.654 -10.130 1.00 0.00 N ATOM 1732 CA LEU A 116 13.554 3.736 -9.880 1.00 0.00 C ATOM 1733 C LEU A 116 14.990 3.256 -10.083 1.00 0.00 C ATOM 1734 O LEU A 116 15.321 2.120 -9.741 1.00 0.00 O ATOM 1735 CB LEU A 116 13.383 4.268 -8.455 1.00 0.00 C ATOM 1736 CG LEU A 116 13.465 5.791 -8.309 1.00 0.00 C ATOM 1737 CD1 LEU A 116 12.287 6.313 -7.500 1.00 0.00 C ATOM 1738 CD2 LEU A 116 14.781 6.194 -7.660 1.00 0.00 C ATOM 0 H LEU A 116 12.796 1.800 -9.607 1.00 0.00 H new ATOM 0 HA LEU A 116 13.352 4.537 -10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.418 3.935 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 116 14.148 3.817 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 116 13.422 6.236 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.362 7.396 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.356 6.056 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.298 5.861 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.822 7.279 -7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.854 5.739 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.611 5.853 -8.278 1.00 0.00 H new ATOM 1750 N PRO A 117 15.865 4.114 -10.646 1.00 0.00 N ATOM 1751 CA PRO A 117 17.267 3.760 -10.887 1.00 0.00 C ATOM 1752 C PRO A 117 18.110 3.792 -9.611 1.00 0.00 C ATOM 1753 O PRO A 117 19.144 3.091 -9.569 1.00 0.00 O ATOM 1754 CB PRO A 117 17.733 4.836 -11.869 1.00 0.00 C ATOM 1755 CG PRO A 117 16.884 6.023 -11.561 1.00 0.00 C ATOM 1756 CD PRO A 117 15.555 5.489 -11.089 1.00 0.00 C ATOM 1757 OXT PRO A 117 17.730 4.513 -8.662 1.00 0.00 O ATOM 0 HA PRO A 117 17.373 2.742 -11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 117 18.791 5.061 -11.737 1.00 0.00 H new ATOM 0 HB3 PRO A 117 17.602 4.513 -12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 117 17.348 6.643 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 117 16.759 6.650 -12.444 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.149 6.090 -10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.815 5.494 -11.889 1.00 0.00 H new TER 1765 PRO A 117