USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 33 MET CE :methyl 153:sc= -2.31 (180deg=-2.8!) USER MOD Set 2.2: A 39 HIS : no HD1:sc= -8.94! C(o=-13!,f=-20!) USER MOD Set 2.3: A 82 CYS SG : rot -153:sc= -1.47 USER MOD Set 2.4: A 85 HIS : no HD1:sc= -0.378 X(o=-13,f=-14) USER MOD Set 3.1: A 28 THR OG1 : rot -121:sc= 0.899 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 2 SER OG : rot 26:sc= 0.124 USER MOD Single : A 4 GLN : amide:sc= -1.62 K(o=-1.6,f=-5.4!) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc=-0.00459 (180deg=-0.194) USER MOD Single : A 7 MET CE :methyl -162:sc= -1.74 (180deg=-3.1!) USER MOD Single : A 9 THR OG1 : rot -74:sc= -5.76! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 39:sc= 0.0292 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -3.51! C(o=-3.5!,f=-12!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -7.48! C(o=-7.5!,f=-15!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 33:sc= -0.473 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00234 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 58 THR OG1 : rot -58:sc= 0.862 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -2.18 USER MOD Single : A 69 SER OG : rot 169:sc= -1.84! USER MOD Single : A 74 THR OG1 : rot 1:sc= 0.623 USER MOD Single : A 78 TYR OH : rot -13:sc= 1.02 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -170:sc= -0.342 USER MOD Single : A 90 MET CE :methyl 147:sc= -0.75! (180deg=-4.43!) USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.000118 USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -13.061 -8.293 -3.559 1.00 0.00 N ATOM 12 CA SER A 2 -11.788 -7.596 -3.644 1.00 0.00 C ATOM 13 C SER A 2 -11.776 -6.408 -2.681 1.00 0.00 C ATOM 14 O SER A 2 -12.814 -5.799 -2.427 1.00 0.00 O ATOM 15 CB SER A 2 -11.515 -7.122 -5.074 1.00 0.00 C ATOM 16 OG SER A 2 -11.681 -8.171 -6.024 1.00 0.00 O ATOM 0 HA SER A 2 -10.998 -8.292 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.189 -6.301 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.500 -6.731 -5.139 1.00 0.00 H new ATOM 0 HG SER A 2 -12.309 -8.835 -5.671 1.00 0.00 H new ATOM 22 N VAL A 3 -10.589 -6.114 -2.169 1.00 0.00 N ATOM 23 CA VAL A 3 -10.429 -5.009 -1.239 1.00 0.00 C ATOM 24 C VAL A 3 -9.657 -3.880 -1.923 1.00 0.00 C ATOM 25 O VAL A 3 -9.240 -4.015 -3.073 1.00 0.00 O ATOM 26 CB VAL A 3 -9.757 -5.501 0.045 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.573 -6.618 0.698 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.323 -5.957 -0.227 1.00 0.00 C ATOM 0 H VAL A 3 -9.730 -6.622 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.401 -4.609 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.716 -4.665 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.073 -6.949 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.567 -6.246 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.661 -7.456 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.868 -6.302 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.331 -6.772 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.746 -5.123 -0.626 1.00 0.00 H new ATOM 38 N GLN A 4 -9.490 -2.790 -1.188 1.00 0.00 N ATOM 39 CA GLN A 4 -8.775 -1.638 -1.710 1.00 0.00 C ATOM 40 C GLN A 4 -7.988 -0.951 -0.592 1.00 0.00 C ATOM 41 O GLN A 4 -8.308 -1.108 0.585 1.00 0.00 O ATOM 42 CB GLN A 4 -9.735 -0.657 -2.387 1.00 0.00 C ATOM 43 CG GLN A 4 -10.984 -0.435 -1.532 1.00 0.00 C ATOM 44 CD GLN A 4 -11.080 1.021 -1.069 1.00 0.00 C ATOM 45 OE1 GLN A 4 -10.400 1.456 -0.154 1.00 0.00 O ATOM 46 NE2 GLN A 4 -11.960 1.748 -1.752 1.00 0.00 N ATOM 0 H GLN A 4 -9.838 -2.681 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.069 -1.984 -2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.230 0.295 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.023 -1.041 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.873 -0.697 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.958 -1.095 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.497 1.322 -2.507 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.098 2.732 -1.521 1.00 0.00 H new ATOM 55 N ILE A 5 -6.971 -0.204 -1.000 1.00 0.00 N ATOM 56 CA ILE A 5 -6.135 0.507 -0.048 1.00 0.00 C ATOM 57 C ILE A 5 -6.191 2.006 -0.348 1.00 0.00 C ATOM 58 O ILE A 5 -5.773 2.444 -1.418 1.00 0.00 O ATOM 59 CB ILE A 5 -4.718 -0.068 -0.045 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.632 -1.314 0.839 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.695 0.995 0.361 1.00 0.00 C ATOM 62 CD1 ILE A 5 -5.068 -1.000 2.272 1.00 0.00 C ATOM 0 H ILE A 5 -6.708 -0.076 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.511 0.370 0.966 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.474 -0.378 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.264 -2.101 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.610 -1.693 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.696 0.559 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.733 1.825 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.926 1.359 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.998 -1.902 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.419 -0.230 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.098 -0.644 2.269 1.00 0.00 H new ATOM 74 N LYS A 6 -6.710 2.751 0.617 1.00 0.00 N ATOM 75 CA LYS A 6 -6.825 4.192 0.470 1.00 0.00 C ATOM 76 C LYS A 6 -5.624 4.866 1.136 1.00 0.00 C ATOM 77 O LYS A 6 -5.195 4.456 2.212 1.00 0.00 O ATOM 78 CB LYS A 6 -8.175 4.678 1.001 1.00 0.00 C ATOM 79 CG LYS A 6 -9.140 4.978 -0.148 1.00 0.00 C ATOM 80 CD LYS A 6 -10.474 5.508 0.382 1.00 0.00 C ATOM 81 CE LYS A 6 -11.456 4.363 0.640 1.00 0.00 C ATOM 82 NZ LYS A 6 -11.439 3.978 2.068 1.00 0.00 N ATOM 0 H LYS A 6 -7.056 2.384 1.504 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.803 4.470 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.607 3.920 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.031 5.575 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.694 5.711 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.310 4.073 -0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.308 6.064 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.904 6.205 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.462 4.667 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.193 3.504 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.305 3.449 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.609 3.380 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.391 4.833 2.658 1.00 0.00 H new ATOM 96 N MET A 7 -5.114 5.890 0.465 1.00 0.00 N ATOM 97 CA MET A 7 -3.970 6.624 0.978 1.00 0.00 C ATOM 98 C MET A 7 -4.363 8.053 1.362 1.00 0.00 C ATOM 99 O MET A 7 -4.679 8.867 0.497 1.00 0.00 O ATOM 100 CB MET A 7 -2.871 6.665 -0.086 1.00 0.00 C ATOM 101 CG MET A 7 -2.279 5.273 -0.317 1.00 0.00 C ATOM 102 SD MET A 7 -1.205 5.296 -1.741 1.00 0.00 S ATOM 103 CE MET A 7 -2.120 4.222 -2.836 1.00 0.00 C ATOM 0 H MET A 7 -5.472 6.228 -0.428 1.00 0.00 H new ATOM 0 HA MET A 7 -3.605 6.115 1.870 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.279 7.050 -1.021 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.084 7.352 0.225 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.722 4.955 0.564 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.080 4.548 -0.467 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.464 3.868 -3.631 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.502 3.369 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.954 4.772 -3.272 1.00 0.00 H new ATOM 113 N GLY A 8 -4.331 8.312 2.660 1.00 0.00 N ATOM 114 CA GLY A 8 -4.679 9.627 3.170 1.00 0.00 C ATOM 115 C GLY A 8 -6.125 9.656 3.670 1.00 0.00 C ATOM 116 O GLY A 8 -7.005 9.037 3.072 1.00 0.00 O ATOM 0 H GLY A 8 -4.069 7.633 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.004 9.896 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.547 10.372 2.385 1.00 0.00 H new ATOM 120 N THR A 9 -6.326 10.382 4.760 1.00 0.00 N ATOM 121 CA THR A 9 -7.651 10.499 5.347 1.00 0.00 C ATOM 122 C THR A 9 -8.281 11.842 4.974 1.00 0.00 C ATOM 123 O THR A 9 -7.574 12.801 4.670 1.00 0.00 O ATOM 124 CB THR A 9 -7.519 10.287 6.857 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.273 10.895 7.185 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.325 8.815 7.226 1.00 0.00 C ATOM 0 H THR A 9 -5.594 10.895 5.252 1.00 0.00 H new ATOM 0 HA THR A 9 -8.327 9.739 4.956 1.00 0.00 H new ATOM 0 HB THR A 9 -8.407 10.672 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.539 10.326 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.237 8.720 8.308 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.182 8.237 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.418 8.438 6.754 1.00 0.00 H new ATOM 134 N ASP A 10 -9.606 11.869 5.012 1.00 0.00 N ATOM 135 CA ASP A 10 -10.340 13.077 4.682 1.00 0.00 C ATOM 136 C ASP A 10 -9.834 14.230 5.552 1.00 0.00 C ATOM 137 O ASP A 10 -10.033 15.397 5.219 1.00 0.00 O ATOM 138 CB ASP A 10 -11.836 12.904 4.951 1.00 0.00 C ATOM 139 CG ASP A 10 -12.757 13.644 3.979 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.376 13.732 2.792 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.822 14.104 4.445 1.00 0.00 O ATOM 0 H ASP A 10 -10.189 11.072 5.267 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.186 13.286 3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.075 11.841 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.050 13.247 5.963 1.00 0.00 H new ATOM 146 N LYS A 11 -9.188 13.861 6.650 1.00 0.00 N ATOM 147 CA LYS A 11 -8.652 14.849 7.569 1.00 0.00 C ATOM 148 C LYS A 11 -7.226 15.209 7.150 1.00 0.00 C ATOM 149 O LYS A 11 -6.346 15.367 7.997 1.00 0.00 O ATOM 150 CB LYS A 11 -8.762 14.353 9.013 1.00 0.00 C ATOM 151 CG LYS A 11 -9.987 14.952 9.707 1.00 0.00 C ATOM 152 CD LYS A 11 -9.569 15.868 10.860 1.00 0.00 C ATOM 153 CE LYS A 11 -10.463 15.649 12.084 1.00 0.00 C ATOM 154 NZ LYS A 11 -9.647 15.592 13.317 1.00 0.00 N ATOM 0 H LYS A 11 -9.025 12.892 6.922 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.238 15.767 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.829 13.265 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.860 14.622 9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.579 15.516 8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.623 14.152 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.529 15.675 11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.629 16.909 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.191 16.457 12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.026 14.722 11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.268 15.443 14.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.969 14.806 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.129 16.487 13.432 1.00 0.00 H new ATOM 168 N TYR A 12 -7.039 15.329 5.844 1.00 0.00 N ATOM 169 CA TYR A 12 -5.734 15.667 5.302 1.00 0.00 C ATOM 170 C TYR A 12 -4.619 14.955 6.071 1.00 0.00 C ATOM 171 O TYR A 12 -3.501 15.459 6.160 1.00 0.00 O ATOM 172 CB TYR A 12 -5.580 17.178 5.487 1.00 0.00 C ATOM 173 CG TYR A 12 -6.703 18.000 4.852 1.00 0.00 C ATOM 174 CD1 TYR A 12 -6.664 18.300 3.505 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.756 18.443 5.626 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.720 19.073 2.907 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.813 19.217 5.029 1.00 0.00 C ATOM 178 CZ TYR A 12 -8.744 19.494 3.699 1.00 0.00 C ATOM 179 OH TYR A 12 -9.742 20.225 3.135 1.00 0.00 O ATOM 0 H TYR A 12 -7.770 15.198 5.145 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.662 15.363 4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.539 17.401 6.553 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.628 17.491 5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.840 17.954 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.787 18.209 6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.701 19.314 1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.642 19.570 5.624 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.405 20.455 3.819 1.00 0.00 H new ATOM 189 N ALA A 13 -4.964 13.794 6.607 1.00 0.00 N ATOM 190 CA ALA A 13 -4.005 13.007 7.366 1.00 0.00 C ATOM 191 C ALA A 13 -3.453 11.890 6.478 1.00 0.00 C ATOM 192 O ALA A 13 -4.207 11.054 5.983 1.00 0.00 O ATOM 193 CB ALA A 13 -4.676 12.468 8.631 1.00 0.00 C ATOM 0 H ALA A 13 -5.893 13.379 6.531 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.164 13.625 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.958 11.878 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.026 13.301 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.523 11.840 8.354 1.00 0.00 H new ATOM 199 N PRO A 14 -2.105 11.912 6.300 1.00 0.00 N ATOM 200 CA PRO A 14 -1.442 10.912 5.479 1.00 0.00 C ATOM 201 C PRO A 14 -1.356 9.572 6.213 1.00 0.00 C ATOM 202 O PRO A 14 -0.524 9.397 7.102 1.00 0.00 O ATOM 203 CB PRO A 14 -0.078 11.504 5.164 1.00 0.00 C ATOM 204 CG PRO A 14 0.150 12.598 6.194 1.00 0.00 C ATOM 205 CD PRO A 14 -1.180 12.887 6.870 1.00 0.00 C ATOM 0 HA PRO A 14 -1.987 10.691 4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.701 10.744 5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.052 11.909 4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.891 12.282 6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.538 13.497 5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.106 12.777 7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.510 13.907 6.675 1.00 0.00 H new ATOM 213 N LEU A 15 -2.230 8.658 5.813 1.00 0.00 N ATOM 214 CA LEU A 15 -2.263 7.339 6.421 1.00 0.00 C ATOM 215 C LEU A 15 -3.045 6.386 5.514 1.00 0.00 C ATOM 216 O LEU A 15 -3.960 6.805 4.808 1.00 0.00 O ATOM 217 CB LEU A 15 -2.812 7.420 7.846 1.00 0.00 C ATOM 218 CG LEU A 15 -4.222 7.998 7.991 1.00 0.00 C ATOM 219 CD1 LEU A 15 -5.252 6.884 8.188 1.00 0.00 C ATOM 220 CD2 LEU A 15 -4.277 9.034 9.115 1.00 0.00 C ATOM 0 H LEU A 15 -2.920 8.806 5.076 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.254 6.936 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.806 6.417 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.130 8.025 8.443 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.477 8.514 7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.246 7.321 8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.235 6.216 7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.011 6.320 9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.290 9.429 9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.994 8.564 10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.587 9.848 8.893 1.00 0.00 H new ATOM 232 N TYR A 16 -2.655 5.120 5.564 1.00 0.00 N ATOM 233 CA TYR A 16 -3.307 4.103 4.757 1.00 0.00 C ATOM 234 C TYR A 16 -4.623 3.656 5.397 1.00 0.00 C ATOM 235 O TYR A 16 -4.666 3.357 6.590 1.00 0.00 O ATOM 236 CB TYR A 16 -2.343 2.916 4.715 1.00 0.00 C ATOM 237 CG TYR A 16 -1.287 3.011 3.614 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.656 2.889 2.289 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.037 3.220 3.944 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.660 2.979 1.253 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.034 3.309 2.907 1.00 0.00 C ATOM 242 CZ TYR A 16 0.635 3.185 1.612 1.00 0.00 C ATOM 243 OH TYR A 16 1.575 3.269 0.634 1.00 0.00 O ATOM 0 H TYR A 16 -1.895 4.776 6.151 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.537 4.489 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.841 2.834 5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.917 2.000 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.692 2.726 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.326 3.317 4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.936 2.885 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.073 3.470 3.152 1.00 0.00 H new ATOM 0 HH TYR A 16 1.212 3.768 -0.127 1.00 0.00 H new ATOM 253 N GLU A 17 -5.662 3.622 4.577 1.00 0.00 N ATOM 254 CA GLU A 17 -6.976 3.216 5.048 1.00 0.00 C ATOM 255 C GLU A 17 -7.515 2.068 4.191 1.00 0.00 C ATOM 256 O GLU A 17 -7.582 2.181 2.968 1.00 0.00 O ATOM 257 CB GLU A 17 -7.946 4.398 5.055 1.00 0.00 C ATOM 258 CG GLU A 17 -9.138 4.123 5.975 1.00 0.00 C ATOM 259 CD GLU A 17 -10.014 5.369 6.123 1.00 0.00 C ATOM 260 OE1 GLU A 17 -10.716 5.690 5.139 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.962 5.972 7.217 1.00 0.00 O ATOM 0 H GLU A 17 -5.621 3.869 3.588 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.880 2.863 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.427 5.297 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.300 4.589 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.732 3.302 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.781 3.807 6.955 1.00 0.00 H new ATOM 268 N PRO A 18 -7.897 0.963 4.885 1.00 0.00 N ATOM 269 CA PRO A 18 -7.784 0.912 6.332 1.00 0.00 C ATOM 270 C PRO A 18 -6.328 0.723 6.764 1.00 0.00 C ATOM 271 O PRO A 18 -5.444 0.564 5.924 1.00 0.00 O ATOM 272 CB PRO A 18 -8.684 -0.238 6.756 1.00 0.00 C ATOM 273 CG PRO A 18 -8.900 -1.079 5.510 1.00 0.00 C ATOM 274 CD PRO A 18 -8.442 -0.264 4.311 1.00 0.00 C ATOM 0 HA PRO A 18 -8.094 1.841 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.220 -0.826 7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.632 0.132 7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.337 -2.010 5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.951 -1.348 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.689 -0.799 3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.271 -0.052 3.636 1.00 0.00 H new ATOM 282 N LYS A 19 -6.124 0.747 8.073 1.00 0.00 N ATOM 283 CA LYS A 19 -4.791 0.580 8.625 1.00 0.00 C ATOM 284 C LYS A 19 -4.291 -0.834 8.322 1.00 0.00 C ATOM 285 O LYS A 19 -3.110 -1.032 8.040 1.00 0.00 O ATOM 286 CB LYS A 19 -4.780 0.929 10.114 1.00 0.00 C ATOM 287 CG LYS A 19 -3.742 2.011 10.417 1.00 0.00 C ATOM 288 CD LYS A 19 -2.430 1.392 10.902 1.00 0.00 C ATOM 289 CE LYS A 19 -1.889 2.138 12.123 1.00 0.00 C ATOM 290 NZ LYS A 19 -0.770 1.388 12.735 1.00 0.00 N ATOM 0 H LYS A 19 -6.860 0.880 8.767 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.094 1.273 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.769 1.274 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.560 0.036 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.559 2.605 9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.130 2.690 11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.590 0.344 11.154 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.693 1.418 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.551 3.132 11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.685 2.276 12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.415 1.908 13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.103 0.449 13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.004 1.278 12.040 1.00 0.00 H new ATOM 304 N ALA A 20 -5.215 -1.781 8.388 1.00 0.00 N ATOM 305 CA ALA A 20 -4.883 -3.170 8.123 1.00 0.00 C ATOM 306 C ALA A 20 -5.902 -3.756 7.144 1.00 0.00 C ATOM 307 O ALA A 20 -7.019 -3.255 7.031 1.00 0.00 O ATOM 308 CB ALA A 20 -4.832 -3.944 9.443 1.00 0.00 C ATOM 0 H ALA A 20 -6.194 -1.613 8.621 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.899 -3.247 7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.583 -4.986 9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.073 -3.507 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.804 -3.890 9.934 1.00 0.00 H new ATOM 314 N LEU A 21 -5.479 -4.809 6.459 1.00 0.00 N ATOM 315 CA LEU A 21 -6.340 -5.469 5.493 1.00 0.00 C ATOM 316 C LEU A 21 -6.029 -6.966 5.477 1.00 0.00 C ATOM 317 O LEU A 21 -4.885 -7.369 5.685 1.00 0.00 O ATOM 318 CB LEU A 21 -6.218 -4.800 4.122 1.00 0.00 C ATOM 319 CG LEU A 21 -6.663 -5.641 2.924 1.00 0.00 C ATOM 320 CD1 LEU A 21 -8.162 -5.936 2.987 1.00 0.00 C ATOM 321 CD2 LEU A 21 -6.265 -4.972 1.606 1.00 0.00 C ATOM 0 H LEU A 21 -4.551 -5.221 6.554 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.386 -5.364 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.805 -3.882 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.178 -4.511 3.972 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.145 -6.599 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.452 -6.535 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.387 -6.485 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.718 -4.998 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.593 -5.590 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.736 -3.991 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.182 -4.857 1.569 1.00 0.00 H new ATOM 333 N SER A 22 -7.066 -7.752 5.228 1.00 0.00 N ATOM 334 CA SER A 22 -6.917 -9.197 5.182 1.00 0.00 C ATOM 335 C SER A 22 -7.575 -9.751 3.916 1.00 0.00 C ATOM 336 O SER A 22 -8.608 -9.247 3.478 1.00 0.00 O ATOM 337 CB SER A 22 -7.522 -9.853 6.425 1.00 0.00 C ATOM 338 OG SER A 22 -7.102 -11.207 6.572 1.00 0.00 O ATOM 0 H SER A 22 -8.013 -7.415 5.056 1.00 0.00 H new ATOM 0 HA SER A 22 -5.852 -9.431 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.234 -9.286 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.610 -9.816 6.362 1.00 0.00 H new ATOM 0 HG SER A 22 -7.508 -11.590 7.378 1.00 0.00 H new ATOM 344 N ILE A 23 -6.949 -10.780 3.364 1.00 0.00 N ATOM 345 CA ILE A 23 -7.461 -11.406 2.157 1.00 0.00 C ATOM 346 C ILE A 23 -6.997 -12.864 2.109 1.00 0.00 C ATOM 347 O ILE A 23 -6.379 -13.354 3.053 1.00 0.00 O ATOM 348 CB ILE A 23 -7.066 -10.595 0.922 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.545 -10.540 0.766 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.689 -9.197 0.962 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.154 -10.159 -0.663 1.00 0.00 C ATOM 0 H ILE A 23 -6.092 -11.196 3.730 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.551 -11.416 2.167 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.462 -11.099 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.130 -9.815 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.115 -11.509 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.393 -8.641 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.775 -9.283 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.343 -8.670 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.068 -10.127 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.550 -10.899 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.565 -9.179 -0.904 1.00 0.00 H new ATOM 363 N SER A 24 -7.312 -13.516 1.000 1.00 0.00 N ATOM 364 CA SER A 24 -6.936 -14.907 0.816 1.00 0.00 C ATOM 365 C SER A 24 -6.059 -15.052 -0.428 1.00 0.00 C ATOM 366 O SER A 24 -6.027 -14.162 -1.277 1.00 0.00 O ATOM 367 CB SER A 24 -8.172 -15.801 0.703 1.00 0.00 C ATOM 368 OG SER A 24 -9.092 -15.579 1.767 1.00 0.00 O ATOM 0 H SER A 24 -7.824 -13.106 0.219 1.00 0.00 H new ATOM 0 HA SER A 24 -6.369 -15.227 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.668 -15.615 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.864 -16.847 0.703 1.00 0.00 H new ATOM 0 HG SER A 24 -9.868 -16.168 1.657 1.00 0.00 H new ATOM 374 N ALA A 25 -5.368 -16.181 -0.499 1.00 0.00 N ATOM 375 CA ALA A 25 -4.494 -16.454 -1.626 1.00 0.00 C ATOM 376 C ALA A 25 -5.328 -16.541 -2.905 1.00 0.00 C ATOM 377 O ALA A 25 -6.032 -17.526 -3.125 1.00 0.00 O ATOM 378 CB ALA A 25 -3.700 -17.735 -1.359 1.00 0.00 C ATOM 0 H ALA A 25 -5.396 -16.917 0.207 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.774 -15.646 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.044 -17.940 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.101 -17.610 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.389 -18.569 -1.224 1.00 0.00 H new ATOM 384 N GLY A 26 -5.222 -15.498 -3.716 1.00 0.00 N ATOM 385 CA GLY A 26 -5.958 -15.445 -4.967 1.00 0.00 C ATOM 386 C GLY A 26 -6.824 -14.185 -5.040 1.00 0.00 C ATOM 387 O GLY A 26 -7.402 -13.885 -6.083 1.00 0.00 O ATOM 0 H GLY A 26 -4.637 -14.683 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.261 -15.460 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.588 -16.330 -5.060 1.00 0.00 H new ATOM 391 N ASP A 27 -6.885 -13.482 -3.919 1.00 0.00 N ATOM 392 CA ASP A 27 -7.671 -12.262 -3.843 1.00 0.00 C ATOM 393 C ASP A 27 -6.865 -11.104 -4.435 1.00 0.00 C ATOM 394 O ASP A 27 -5.684 -11.260 -4.745 1.00 0.00 O ATOM 395 CB ASP A 27 -8.005 -11.912 -2.392 1.00 0.00 C ATOM 396 CG ASP A 27 -9.072 -12.796 -1.742 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.155 -13.975 -2.149 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.779 -12.274 -0.854 1.00 0.00 O ATOM 0 H ASP A 27 -6.403 -13.734 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.596 -12.421 -4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.092 -11.975 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.340 -10.875 -2.352 1.00 0.00 H new ATOM 403 N THR A 28 -7.533 -9.969 -4.574 1.00 0.00 N ATOM 404 CA THR A 28 -6.894 -8.786 -5.122 1.00 0.00 C ATOM 405 C THR A 28 -6.948 -7.634 -4.116 1.00 0.00 C ATOM 406 O THR A 28 -7.809 -7.614 -3.238 1.00 0.00 O ATOM 407 CB THR A 28 -7.568 -8.459 -6.456 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.514 -9.684 -7.182 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.747 -7.487 -7.306 1.00 0.00 C ATOM 0 H THR A 28 -8.512 -9.844 -4.316 1.00 0.00 H new ATOM 0 HA THR A 28 -5.835 -8.961 -5.310 1.00 0.00 H new ATOM 0 HB THR A 28 -8.554 -8.033 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.025 -9.546 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.271 -7.289 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.611 -6.553 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.773 -7.926 -7.522 1.00 0.00 H new ATOM 417 N VAL A 29 -6.019 -6.705 -4.277 1.00 0.00 N ATOM 418 CA VAL A 29 -5.951 -5.553 -3.395 1.00 0.00 C ATOM 419 C VAL A 29 -5.698 -4.293 -4.225 1.00 0.00 C ATOM 420 O VAL A 29 -4.615 -4.119 -4.782 1.00 0.00 O ATOM 421 CB VAL A 29 -4.888 -5.782 -2.317 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.662 -4.514 -1.492 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.265 -6.961 -1.417 1.00 0.00 C ATOM 0 H VAL A 29 -5.306 -6.726 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.899 -5.414 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.951 -6.028 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.902 -4.704 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.328 -3.709 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.594 -4.224 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.493 -7.102 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.218 -6.756 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.352 -7.865 -2.019 1.00 0.00 H new ATOM 433 N GLU A 30 -6.715 -3.445 -4.280 1.00 0.00 N ATOM 434 CA GLU A 30 -6.616 -2.207 -5.033 1.00 0.00 C ATOM 435 C GLU A 30 -5.980 -1.113 -4.173 1.00 0.00 C ATOM 436 O GLU A 30 -5.847 -1.269 -2.961 1.00 0.00 O ATOM 437 CB GLU A 30 -7.988 -1.770 -5.551 1.00 0.00 C ATOM 438 CG GLU A 30 -7.857 -0.600 -6.530 1.00 0.00 C ATOM 439 CD GLU A 30 -9.099 -0.487 -7.417 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.108 -1.162 -8.469 1.00 0.00 O ATOM 441 OE2 GLU A 30 -10.010 0.272 -7.022 1.00 0.00 O ATOM 0 H GLU A 30 -7.611 -3.591 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.976 -2.380 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.478 -2.609 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.621 -1.479 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.715 0.328 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.973 -0.739 -7.152 1.00 0.00 H new ATOM 448 N PHE A 31 -5.605 -0.027 -4.836 1.00 0.00 N ATOM 449 CA PHE A 31 -4.986 1.093 -4.147 1.00 0.00 C ATOM 450 C PHE A 31 -5.436 2.424 -4.752 1.00 0.00 C ATOM 451 O PHE A 31 -5.184 2.693 -5.926 1.00 0.00 O ATOM 452 CB PHE A 31 -3.474 0.948 -4.328 1.00 0.00 C ATOM 453 CG PHE A 31 -2.856 -0.195 -3.521 1.00 0.00 C ATOM 454 CD1 PHE A 31 -3.040 -1.484 -3.918 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.125 0.076 -2.407 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.467 -2.545 -3.169 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.552 -0.986 -1.659 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.735 -2.274 -2.055 1.00 0.00 C ATOM 0 H PHE A 31 -5.718 0.100 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.272 1.088 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.259 0.790 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.993 1.883 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.622 -1.699 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.980 1.099 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.612 -3.568 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.970 -0.771 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.299 -3.081 -1.485 1.00 0.00 H new ATOM 468 N VAL A 32 -6.094 3.221 -3.924 1.00 0.00 N ATOM 469 CA VAL A 32 -6.581 4.519 -4.363 1.00 0.00 C ATOM 470 C VAL A 32 -5.999 5.609 -3.461 1.00 0.00 C ATOM 471 O VAL A 32 -5.758 5.377 -2.277 1.00 0.00 O ATOM 472 CB VAL A 32 -8.111 4.520 -4.392 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.686 4.627 -2.978 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.640 5.643 -5.286 1.00 0.00 C ATOM 0 H VAL A 32 -6.302 2.994 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.249 4.728 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.440 3.571 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.775 4.626 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.348 3.779 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.345 5.553 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.730 5.622 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.297 6.604 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.271 5.504 -6.302 1.00 0.00 H new ATOM 484 N MET A 33 -5.789 6.774 -4.055 1.00 0.00 N ATOM 485 CA MET A 33 -5.240 7.901 -3.320 1.00 0.00 C ATOM 486 C MET A 33 -6.348 8.856 -2.873 1.00 0.00 C ATOM 487 O MET A 33 -7.058 9.420 -3.703 1.00 0.00 O ATOM 488 CB MET A 33 -4.244 8.652 -4.207 1.00 0.00 C ATOM 489 CG MET A 33 -2.803 8.323 -3.814 1.00 0.00 C ATOM 490 SD MET A 33 -1.672 9.402 -4.677 1.00 0.00 S ATOM 491 CE MET A 33 -2.381 10.988 -4.263 1.00 0.00 C ATOM 0 H MET A 33 -5.989 6.962 -5.037 1.00 0.00 H new ATOM 0 HA MET A 33 -4.735 7.521 -2.432 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.410 8.387 -5.251 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.412 9.725 -4.121 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.676 8.436 -2.737 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.581 7.283 -4.054 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.603 11.751 -4.285 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.157 11.240 -4.986 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.816 10.943 -3.265 1.00 0.00 H new ATOM 501 N ASN A 34 -6.460 9.009 -1.561 1.00 0.00 N ATOM 502 CA ASN A 34 -7.469 9.886 -0.994 1.00 0.00 C ATOM 503 C ASN A 34 -6.999 11.338 -1.107 1.00 0.00 C ATOM 504 O ASN A 34 -7.599 12.134 -1.828 1.00 0.00 O ATOM 505 CB ASN A 34 -7.697 9.578 0.488 1.00 0.00 C ATOM 506 CG ASN A 34 -8.965 8.745 0.685 1.00 0.00 C ATOM 507 OD1 ASN A 34 -9.234 7.796 -0.033 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.727 9.152 1.697 1.00 0.00 N ATOM 0 H ASN A 34 -5.868 8.540 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.398 9.730 -1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.838 9.039 0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.778 10.509 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.595 8.661 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.443 9.955 2.259 1.00 0.00 H new ATOM 515 N LYS A 35 -5.930 11.638 -0.385 1.00 0.00 N ATOM 516 CA LYS A 35 -5.372 12.981 -0.395 1.00 0.00 C ATOM 517 C LYS A 35 -4.047 12.983 0.368 1.00 0.00 C ATOM 518 O LYS A 35 -3.508 11.924 0.688 1.00 0.00 O ATOM 519 CB LYS A 35 -6.391 13.988 0.138 1.00 0.00 C ATOM 520 CG LYS A 35 -6.830 13.625 1.558 1.00 0.00 C ATOM 521 CD LYS A 35 -8.291 13.173 1.584 1.00 0.00 C ATOM 522 CE LYS A 35 -9.233 14.346 1.304 1.00 0.00 C ATOM 523 NZ LYS A 35 -10.204 13.989 0.245 1.00 0.00 N ATOM 0 H LYS A 35 -5.435 10.975 0.211 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.153 13.295 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.957 14.988 0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.260 14.014 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.193 12.830 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.701 14.486 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.447 12.391 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.524 12.739 2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.764 14.619 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.656 15.219 0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.836 14.796 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.693 13.750 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.767 13.170 0.552 1.00 0.00 H new ATOM 537 N VAL A 36 -3.559 14.185 0.639 1.00 0.00 N ATOM 538 CA VAL A 36 -2.307 14.340 1.360 1.00 0.00 C ATOM 539 C VAL A 36 -1.166 13.758 0.522 1.00 0.00 C ATOM 540 O VAL A 36 -0.121 13.392 1.059 1.00 0.00 O ATOM 541 CB VAL A 36 -2.418 13.700 2.745 1.00 0.00 C ATOM 542 CG1 VAL A 36 -1.280 14.165 3.657 1.00 0.00 C ATOM 543 CG2 VAL A 36 -3.781 13.991 3.376 1.00 0.00 C ATOM 0 H VAL A 36 -4.008 15.061 0.372 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.087 15.395 1.521 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.329 12.620 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.383 13.695 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.323 13.883 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.323 15.248 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.834 13.525 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.912 15.068 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.570 13.588 2.741 1.00 0.00 H new ATOM 553 N GLY A 37 -1.406 13.690 -0.779 1.00 0.00 N ATOM 554 CA GLY A 37 -0.411 13.159 -1.697 1.00 0.00 C ATOM 555 C GLY A 37 0.644 14.215 -2.032 1.00 0.00 C ATOM 556 O GLY A 37 0.673 15.284 -1.424 1.00 0.00 O ATOM 0 H GLY A 37 -2.274 13.993 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.070 12.287 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.898 12.823 -2.612 1.00 0.00 H new ATOM 560 N PRO A 38 1.509 13.868 -3.023 1.00 0.00 N ATOM 561 CA PRO A 38 1.405 12.583 -3.691 1.00 0.00 C ATOM 562 C PRO A 38 1.926 11.457 -2.796 1.00 0.00 C ATOM 563 O PRO A 38 2.583 11.713 -1.788 1.00 0.00 O ATOM 564 CB PRO A 38 2.205 12.740 -4.974 1.00 0.00 C ATOM 565 CG PRO A 38 3.106 13.944 -4.758 1.00 0.00 C ATOM 566 CD PRO A 38 2.603 14.689 -3.533 1.00 0.00 C ATOM 0 HA PRO A 38 0.374 12.306 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.792 11.845 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.546 12.893 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.139 13.627 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.091 14.594 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.391 14.805 -2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.259 15.690 -3.792 1.00 0.00 H new ATOM 574 N HIS A 39 1.615 10.233 -3.197 1.00 0.00 N ATOM 575 CA HIS A 39 2.044 9.066 -2.443 1.00 0.00 C ATOM 576 C HIS A 39 2.701 8.059 -3.388 1.00 0.00 C ATOM 577 O HIS A 39 3.328 8.445 -4.374 1.00 0.00 O ATOM 578 CB HIS A 39 0.875 8.467 -1.658 1.00 0.00 C ATOM 579 CG HIS A 39 0.079 9.481 -0.871 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.461 9.924 0.384 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.080 10.133 -1.175 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.435 10.802 0.807 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.390 10.930 -0.160 1.00 0.00 N ATOM 0 H HIS A 39 1.071 10.024 -4.034 1.00 0.00 H new ATOM 0 HA HIS A 39 2.790 9.359 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.208 7.957 -2.353 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.260 7.712 -0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.648 10.020 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.414 11.325 1.752 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.207 11.538 -0.111 1.00 0.00 H new ATOM 591 N ASN A 40 2.538 6.787 -3.052 1.00 0.00 N ATOM 592 CA ASN A 40 3.109 5.721 -3.858 1.00 0.00 C ATOM 593 C ASN A 40 2.922 4.386 -3.136 1.00 0.00 C ATOM 594 O ASN A 40 2.283 4.328 -2.087 1.00 0.00 O ATOM 595 CB ASN A 40 4.608 5.937 -4.075 1.00 0.00 C ATOM 596 CG ASN A 40 5.333 6.127 -2.741 1.00 0.00 C ATOM 597 OD1 ASN A 40 5.259 7.168 -2.108 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.035 5.068 -2.351 1.00 0.00 N ATOM 0 H ASN A 40 2.019 6.471 -2.233 1.00 0.00 H new ATOM 0 HA ASN A 40 2.602 5.719 -4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.030 5.082 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.765 6.811 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.555 5.095 -1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.054 4.228 -2.929 1.00 0.00 H new ATOM 605 N VAL A 41 3.494 3.346 -3.725 1.00 0.00 N ATOM 606 CA VAL A 41 3.399 2.015 -3.151 1.00 0.00 C ATOM 607 C VAL A 41 4.795 1.391 -3.087 1.00 0.00 C ATOM 608 O VAL A 41 5.274 0.829 -4.070 1.00 0.00 O ATOM 609 CB VAL A 41 2.402 1.171 -3.949 1.00 0.00 C ATOM 610 CG1 VAL A 41 1.968 -0.062 -3.153 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.193 2.005 -4.372 1.00 0.00 C ATOM 0 H VAL A 41 4.025 3.399 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 41 3.018 2.065 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 41 2.903 0.826 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.260 -0.645 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.841 -0.674 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.494 0.253 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.501 1.381 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.691 2.393 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.524 2.836 -4.995 1.00 0.00 H new ATOM 621 N ILE A 42 5.408 1.510 -1.919 1.00 0.00 N ATOM 622 CA ILE A 42 6.739 0.966 -1.713 1.00 0.00 C ATOM 623 C ILE A 42 6.699 -0.049 -0.569 1.00 0.00 C ATOM 624 O ILE A 42 6.882 0.312 0.593 1.00 0.00 O ATOM 625 CB ILE A 42 7.753 2.092 -1.500 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.988 2.870 -2.797 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.057 1.553 -0.911 1.00 0.00 C ATOM 628 CD1 ILE A 42 9.265 2.399 -3.494 1.00 0.00 C ATOM 0 H ILE A 42 5.007 1.976 -1.105 1.00 0.00 H new ATOM 0 HA ILE A 42 7.073 0.432 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 42 7.338 2.792 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.136 2.739 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.060 3.935 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.759 2.374 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.854 1.080 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.488 0.820 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.409 2.968 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.118 2.554 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.179 1.339 -3.733 1.00 0.00 H new ATOM 640 N PHE A 43 6.458 -1.299 -0.936 1.00 0.00 N ATOM 641 CA PHE A 43 6.392 -2.368 0.045 1.00 0.00 C ATOM 642 C PHE A 43 7.658 -2.404 0.903 1.00 0.00 C ATOM 643 O PHE A 43 8.687 -1.852 0.520 1.00 0.00 O ATOM 644 CB PHE A 43 6.280 -3.682 -0.733 1.00 0.00 C ATOM 645 CG PHE A 43 4.928 -3.886 -1.420 1.00 0.00 C ATOM 646 CD1 PHE A 43 4.723 -3.400 -2.674 1.00 0.00 C ATOM 647 CD2 PHE A 43 3.932 -4.551 -0.778 1.00 0.00 C ATOM 648 CE1 PHE A 43 3.468 -3.588 -3.312 1.00 0.00 C ATOM 649 CE2 PHE A 43 2.677 -4.739 -1.415 1.00 0.00 C ATOM 650 CZ PHE A 43 2.472 -4.255 -2.669 1.00 0.00 C ATOM 0 H PHE A 43 6.306 -1.595 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 43 5.541 -2.213 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.067 -3.714 -1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.458 -4.513 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.514 -2.871 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.095 -4.937 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.305 -3.202 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.885 -5.266 -0.904 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.518 -4.400 -3.155 1.00 0.00 H new ATOM 660 N ASP A 44 7.538 -3.059 2.049 1.00 0.00 N ATOM 661 CA ASP A 44 8.660 -3.175 2.965 1.00 0.00 C ATOM 662 C ASP A 44 9.349 -4.524 2.755 1.00 0.00 C ATOM 663 O ASP A 44 10.563 -4.585 2.567 1.00 0.00 O ATOM 664 CB ASP A 44 8.192 -3.103 4.420 1.00 0.00 C ATOM 665 CG ASP A 44 9.218 -2.534 5.402 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.147 -3.292 5.755 1.00 0.00 O ATOM 667 OD2 ASP A 44 9.049 -1.354 5.777 1.00 0.00 O ATOM 0 H ASP A 44 6.681 -3.515 2.364 1.00 0.00 H new ATOM 0 HA ASP A 44 9.345 -2.351 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.290 -2.493 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.916 -4.105 4.747 1.00 0.00 H new ATOM 672 N LYS A 45 8.543 -5.576 2.795 1.00 0.00 N ATOM 673 CA LYS A 45 9.059 -6.922 2.612 1.00 0.00 C ATOM 674 C LYS A 45 7.950 -7.933 2.908 1.00 0.00 C ATOM 675 O LYS A 45 7.008 -7.632 3.639 1.00 0.00 O ATOM 676 CB LYS A 45 10.322 -7.130 3.450 1.00 0.00 C ATOM 677 CG LYS A 45 11.554 -7.288 2.556 1.00 0.00 C ATOM 678 CD LYS A 45 12.698 -7.964 3.314 1.00 0.00 C ATOM 679 CE LYS A 45 14.040 -7.704 2.627 1.00 0.00 C ATOM 680 NZ LYS A 45 15.133 -8.395 3.346 1.00 0.00 N ATOM 0 H LYS A 45 7.536 -5.523 2.951 1.00 0.00 H new ATOM 0 HA LYS A 45 9.363 -7.076 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.461 -6.282 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.206 -8.015 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.296 -7.879 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.877 -6.310 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.731 -7.591 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.517 -9.037 3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.000 -8.051 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.238 -6.633 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.037 -8.208 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.181 -8.045 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.951 -9.419 3.354 1.00 0.00 H new ATOM 694 N VAL A 46 8.099 -9.114 2.325 1.00 0.00 N ATOM 695 CA VAL A 46 7.122 -10.172 2.517 1.00 0.00 C ATOM 696 C VAL A 46 7.849 -11.487 2.804 1.00 0.00 C ATOM 697 O VAL A 46 9.048 -11.604 2.555 1.00 0.00 O ATOM 698 CB VAL A 46 6.194 -10.255 1.303 1.00 0.00 C ATOM 699 CG1 VAL A 46 6.446 -11.538 0.508 1.00 0.00 C ATOM 700 CG2 VAL A 46 4.727 -10.150 1.726 1.00 0.00 C ATOM 0 H VAL A 46 8.882 -9.361 1.720 1.00 0.00 H new ATOM 0 HA VAL A 46 6.490 -9.955 3.378 1.00 0.00 H new ATOM 0 HB VAL A 46 6.416 -9.409 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.774 -11.573 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.479 -11.554 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.265 -12.403 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.089 -10.212 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.485 -10.966 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.561 -9.197 2.228 1.00 0.00 H new ATOM 710 N PRO A 47 7.074 -12.468 3.339 1.00 0.00 N ATOM 711 CA PRO A 47 7.632 -13.770 3.662 1.00 0.00 C ATOM 712 C PRO A 47 7.866 -14.596 2.396 1.00 0.00 C ATOM 713 O PRO A 47 7.277 -14.320 1.352 1.00 0.00 O ATOM 714 CB PRO A 47 6.627 -14.406 4.608 1.00 0.00 C ATOM 715 CG PRO A 47 5.330 -13.638 4.415 1.00 0.00 C ATOM 716 CD PRO A 47 5.651 -12.365 3.648 1.00 0.00 C ATOM 0 HA PRO A 47 8.613 -13.701 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.492 -15.464 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.969 -14.343 5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.607 -14.242 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.881 -13.400 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.053 -12.288 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.439 -11.478 4.245 1.00 0.00 H new ATOM 756 N SER A 51 7.175 -11.371 -3.948 1.00 0.00 N ATOM 757 CA SER A 51 8.340 -10.519 -4.112 1.00 0.00 C ATOM 758 C SER A 51 7.994 -9.080 -3.726 1.00 0.00 C ATOM 759 O SER A 51 7.815 -8.227 -4.593 1.00 0.00 O ATOM 760 CB SER A 51 8.864 -10.572 -5.549 1.00 0.00 C ATOM 761 OG SER A 51 7.893 -10.115 -6.487 1.00 0.00 O ATOM 0 HA SER A 51 9.127 -10.886 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.763 -9.961 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.151 -11.595 -5.793 1.00 0.00 H new ATOM 0 HG SER A 51 7.346 -9.413 -6.076 1.00 0.00 H new ATOM 767 N ALA A 52 7.909 -8.854 -2.422 1.00 0.00 N ATOM 768 CA ALA A 52 7.588 -7.533 -1.911 1.00 0.00 C ATOM 769 C ALA A 52 8.493 -6.497 -2.581 1.00 0.00 C ATOM 770 O ALA A 52 8.010 -5.498 -3.110 1.00 0.00 O ATOM 771 CB ALA A 52 7.724 -7.529 -0.386 1.00 0.00 C ATOM 0 H ALA A 52 8.057 -9.564 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 52 6.557 -7.270 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.483 -6.538 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.039 -8.260 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.747 -7.786 -0.111 1.00 0.00 H new ATOM 777 N PRO A 53 9.822 -6.779 -2.534 1.00 0.00 N ATOM 778 CA PRO A 53 10.798 -5.883 -3.130 1.00 0.00 C ATOM 779 C PRO A 53 10.792 -6.001 -4.655 1.00 0.00 C ATOM 780 O PRO A 53 11.842 -6.177 -5.272 1.00 0.00 O ATOM 781 CB PRO A 53 12.128 -6.281 -2.509 1.00 0.00 C ATOM 782 CG PRO A 53 11.923 -7.677 -1.945 1.00 0.00 C ATOM 783 CD PRO A 53 10.428 -7.954 -1.914 1.00 0.00 C ATOM 0 HA PRO A 53 10.580 -4.833 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.924 -6.273 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.418 -5.582 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.435 -8.416 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.345 -7.749 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.182 -8.863 -2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.072 -8.092 -0.893 1.00 0.00 H new ATOM 791 N ALA A 54 9.597 -5.900 -5.219 1.00 0.00 N ATOM 792 CA ALA A 54 9.441 -5.994 -6.661 1.00 0.00 C ATOM 793 C ALA A 54 8.162 -5.265 -7.078 1.00 0.00 C ATOM 794 O ALA A 54 8.167 -4.496 -8.040 1.00 0.00 O ATOM 795 CB ALA A 54 9.437 -7.465 -7.080 1.00 0.00 C ATOM 0 H ALA A 54 8.729 -5.754 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 54 10.276 -5.513 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.320 -7.535 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.378 -7.930 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.610 -7.980 -6.591 1.00 0.00 H new ATOM 801 N LEU A 55 7.097 -5.532 -6.336 1.00 0.00 N ATOM 802 CA LEU A 55 5.814 -4.910 -6.618 1.00 0.00 C ATOM 803 C LEU A 55 5.910 -3.407 -6.351 1.00 0.00 C ATOM 804 O LEU A 55 5.199 -2.616 -6.970 1.00 0.00 O ATOM 805 CB LEU A 55 4.699 -5.604 -5.833 1.00 0.00 C ATOM 806 CG LEU A 55 4.112 -6.864 -6.473 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.263 -7.645 -5.467 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.325 -6.519 -7.740 1.00 0.00 C ATOM 0 H LEU A 55 7.096 -6.170 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 55 5.555 -5.031 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.085 -5.867 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.891 -4.889 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 55 4.936 -7.512 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.858 -8.536 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.882 -7.939 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.444 -7.017 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.918 -7.432 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.509 -5.842 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.987 -6.037 -8.460 1.00 0.00 H new ATOM 820 N SER A 56 6.795 -3.058 -5.428 1.00 0.00 N ATOM 821 CA SER A 56 6.993 -1.664 -5.072 1.00 0.00 C ATOM 822 C SER A 56 7.026 -0.800 -6.335 1.00 0.00 C ATOM 823 O SER A 56 7.489 -1.245 -7.383 1.00 0.00 O ATOM 824 CB SER A 56 8.282 -1.478 -4.269 1.00 0.00 C ATOM 825 OG SER A 56 8.403 -2.439 -3.224 1.00 0.00 O ATOM 0 H SER A 56 7.382 -3.717 -4.917 1.00 0.00 H new ATOM 0 HA SER A 56 6.158 -1.350 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.140 -1.558 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.302 -0.475 -3.843 1.00 0.00 H new ATOM 0 HG SER A 56 9.239 -2.288 -2.736 1.00 0.00 H new ATOM 831 N ASN A 57 6.528 0.419 -6.192 1.00 0.00 N ATOM 832 CA ASN A 57 6.494 1.349 -7.308 1.00 0.00 C ATOM 833 C ASN A 57 6.883 2.745 -6.816 1.00 0.00 C ATOM 834 O ASN A 57 6.128 3.379 -6.080 1.00 0.00 O ATOM 835 CB ASN A 57 5.091 1.434 -7.912 1.00 0.00 C ATOM 836 CG ASN A 57 5.157 1.714 -9.414 1.00 0.00 C ATOM 837 OD1 ASN A 57 6.065 2.357 -9.914 1.00 0.00 O ATOM 838 ND2 ASN A 57 4.145 1.197 -10.106 1.00 0.00 N ATOM 0 H ASN A 57 6.145 0.784 -5.320 1.00 0.00 H new ATOM 0 HA ASN A 57 7.191 0.992 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.558 0.500 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.525 2.222 -7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.098 1.329 -11.116 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.416 0.668 -9.626 1.00 0.00 H new ATOM 845 N THR A 58 8.059 3.182 -7.242 1.00 0.00 N ATOM 846 CA THR A 58 8.557 4.490 -6.852 1.00 0.00 C ATOM 847 C THR A 58 8.111 5.551 -7.861 1.00 0.00 C ATOM 848 O THR A 58 8.845 6.498 -8.137 1.00 0.00 O ATOM 849 CB THR A 58 10.076 4.394 -6.704 1.00 0.00 C ATOM 850 OG1 THR A 58 10.457 5.670 -6.198 1.00 0.00 O ATOM 851 CG2 THR A 58 10.791 4.299 -8.054 1.00 0.00 C ATOM 0 H THR A 58 8.681 2.653 -7.853 1.00 0.00 H new ATOM 0 HA THR A 58 8.143 4.801 -5.893 1.00 0.00 H new ATOM 0 HB THR A 58 10.327 3.523 -6.098 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.160 6.369 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.867 4.233 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.449 3.411 -8.585 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.567 5.185 -8.647 1.00 0.00 H new ATOM 859 N LYS A 59 6.909 5.357 -8.384 1.00 0.00 N ATOM 860 CA LYS A 59 6.357 6.285 -9.355 1.00 0.00 C ATOM 861 C LYS A 59 5.266 7.125 -8.688 1.00 0.00 C ATOM 862 O LYS A 59 4.097 7.043 -9.063 1.00 0.00 O ATOM 863 CB LYS A 59 5.880 5.535 -10.602 1.00 0.00 C ATOM 864 CG LYS A 59 5.351 6.508 -11.657 1.00 0.00 C ATOM 865 CD LYS A 59 4.374 5.811 -12.606 1.00 0.00 C ATOM 866 CE LYS A 59 4.979 5.658 -14.002 1.00 0.00 C ATOM 867 NZ LYS A 59 4.704 4.307 -14.542 1.00 0.00 N ATOM 0 H LYS A 59 6.302 4.570 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 59 7.125 6.976 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.703 4.954 -11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.097 4.828 -10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.853 7.345 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.184 6.921 -12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.114 4.830 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.450 6.385 -12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.564 6.414 -14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.055 5.827 -13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.122 4.221 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.120 3.591 -13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.676 4.160 -14.602 1.00 0.00 H new ATOM 881 N LEU A 60 5.687 7.916 -7.713 1.00 0.00 N ATOM 882 CA LEU A 60 4.761 8.772 -6.989 1.00 0.00 C ATOM 883 C LEU A 60 3.892 9.536 -7.991 1.00 0.00 C ATOM 884 O LEU A 60 4.400 10.335 -8.776 1.00 0.00 O ATOM 885 CB LEU A 60 5.517 9.678 -6.016 1.00 0.00 C ATOM 886 CG LEU A 60 6.926 10.094 -6.443 1.00 0.00 C ATOM 887 CD1 LEU A 60 7.154 11.587 -6.200 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.986 9.233 -5.752 1.00 0.00 C ATOM 0 H LEU A 60 6.658 7.983 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 60 4.090 8.173 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.926 10.580 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.586 9.168 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 60 7.022 9.923 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.163 11.856 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.430 12.164 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.032 11.806 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.978 9.550 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.901 9.348 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.835 8.187 -6.018 1.00 0.00 H new ATOM 900 N ALA A 61 2.597 9.262 -7.930 1.00 0.00 N ATOM 901 CA ALA A 61 1.652 9.914 -8.822 1.00 0.00 C ATOM 902 C ALA A 61 0.636 10.702 -7.993 1.00 0.00 C ATOM 903 O ALA A 61 -0.142 10.119 -7.239 1.00 0.00 O ATOM 904 CB ALA A 61 0.988 8.865 -9.716 1.00 0.00 C ATOM 0 H ALA A 61 2.180 8.598 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 61 2.164 10.621 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.279 9.353 -10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.750 8.354 -10.305 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.461 8.140 -9.096 1.00 0.00 H new ATOM 910 N ILE A 62 0.674 12.015 -8.161 1.00 0.00 N ATOM 911 CA ILE A 62 -0.234 12.889 -7.438 1.00 0.00 C ATOM 912 C ILE A 62 -1.618 12.827 -8.086 1.00 0.00 C ATOM 913 O ILE A 62 -2.633 12.794 -7.390 1.00 0.00 O ATOM 914 CB ILE A 62 0.341 14.304 -7.351 1.00 0.00 C ATOM 915 CG1 ILE A 62 -0.106 14.999 -6.063 1.00 0.00 C ATOM 916 CG2 ILE A 62 -0.017 15.120 -8.595 1.00 0.00 C ATOM 917 CD1 ILE A 62 -1.584 14.725 -5.776 1.00 0.00 C ATOM 0 H ILE A 62 1.320 12.495 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.348 12.552 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 62 1.428 14.229 -7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.501 14.650 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.058 16.073 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.404 16.121 -8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.391 14.632 -9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.101 15.189 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.876 15.230 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.190 15.097 -6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.740 13.652 -5.666 1.00 0.00 H new ATOM 929 N ALA A 63 -1.617 12.813 -9.411 1.00 0.00 N ATOM 930 CA ALA A 63 -2.861 12.754 -10.160 1.00 0.00 C ATOM 931 C ALA A 63 -3.781 11.707 -9.532 1.00 0.00 C ATOM 932 O ALA A 63 -3.524 10.508 -9.635 1.00 0.00 O ATOM 933 CB ALA A 63 -2.558 12.458 -11.631 1.00 0.00 C ATOM 0 H ALA A 63 -0.774 12.842 -9.985 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.378 13.713 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.491 12.414 -12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.926 13.247 -12.038 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.041 11.502 -11.711 1.00 0.00 H new ATOM 939 N PRO A 64 -4.863 12.210 -8.879 1.00 0.00 N ATOM 940 CA PRO A 64 -5.823 11.330 -8.234 1.00 0.00 C ATOM 941 C PRO A 64 -6.721 10.647 -9.267 1.00 0.00 C ATOM 942 O PRO A 64 -7.286 11.308 -10.138 1.00 0.00 O ATOM 943 CB PRO A 64 -6.594 12.224 -7.276 1.00 0.00 C ATOM 944 CG PRO A 64 -6.356 13.648 -7.753 1.00 0.00 C ATOM 945 CD PRO A 64 -5.199 13.623 -8.737 1.00 0.00 C ATOM 0 HA PRO A 64 -5.347 10.510 -7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.657 11.981 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.245 12.092 -6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.253 14.046 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.126 14.299 -6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.484 14.060 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.350 14.196 -8.365 1.00 0.00 H new ATOM 953 N GLY A 65 -6.825 9.333 -9.137 1.00 0.00 N ATOM 954 CA GLY A 65 -7.645 8.553 -10.049 1.00 0.00 C ATOM 955 C GLY A 65 -7.452 7.053 -9.814 1.00 0.00 C ATOM 956 O GLY A 65 -7.413 6.272 -10.764 1.00 0.00 O ATOM 0 H GLY A 65 -6.355 8.788 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.695 8.814 -9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.386 8.800 -11.079 1.00 0.00 H new ATOM 960 N SER A 66 -7.336 6.697 -8.543 1.00 0.00 N ATOM 961 CA SER A 66 -7.149 5.304 -8.172 1.00 0.00 C ATOM 962 C SER A 66 -5.849 4.772 -8.777 1.00 0.00 C ATOM 963 O SER A 66 -5.829 4.335 -9.928 1.00 0.00 O ATOM 964 CB SER A 66 -8.335 4.449 -8.622 1.00 0.00 C ATOM 965 OG SER A 66 -8.205 3.094 -8.202 1.00 0.00 O ATOM 0 H SER A 66 -7.368 7.348 -7.758 1.00 0.00 H new ATOM 0 HA SER A 66 -7.087 5.245 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.257 4.867 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.417 4.486 -9.708 1.00 0.00 H new ATOM 0 HG SER A 66 -8.982 2.581 -8.507 1.00 0.00 H new ATOM 971 N PHE A 67 -4.795 4.824 -7.977 1.00 0.00 N ATOM 972 CA PHE A 67 -3.494 4.353 -8.420 1.00 0.00 C ATOM 973 C PHE A 67 -3.632 3.106 -9.296 1.00 0.00 C ATOM 974 O PHE A 67 -3.558 3.193 -10.521 1.00 0.00 O ATOM 975 CB PHE A 67 -2.697 3.992 -7.165 1.00 0.00 C ATOM 976 CG PHE A 67 -1.571 4.976 -6.839 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.570 5.185 -7.734 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.572 5.642 -5.652 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.475 6.097 -7.432 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.529 6.554 -5.349 1.00 0.00 C ATOM 981 CZ PHE A 67 0.474 6.763 -6.245 1.00 0.00 C ATOM 0 H PHE A 67 -4.815 5.186 -7.023 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.000 5.126 -9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.379 3.941 -6.316 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.271 2.997 -7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.570 4.657 -8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.367 5.476 -4.941 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.270 6.262 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.531 7.083 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.269 7.457 -6.014 1.00 0.00 H new ATOM 991 N TYR A 68 -3.830 1.975 -8.636 1.00 0.00 N ATOM 992 CA TYR A 68 -3.980 0.713 -9.339 1.00 0.00 C ATOM 993 C TYR A 68 -4.190 -0.441 -8.357 1.00 0.00 C ATOM 994 O TYR A 68 -4.178 -0.238 -7.144 1.00 0.00 O ATOM 995 CB TYR A 68 -2.667 0.492 -10.093 1.00 0.00 C ATOM 996 CG TYR A 68 -1.419 0.593 -9.213 1.00 0.00 C ATOM 997 CD1 TYR A 68 -0.994 -0.504 -8.491 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.720 1.781 -9.139 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.180 -0.409 -7.662 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.453 1.876 -8.311 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.845 0.776 -7.613 1.00 0.00 C ATOM 1002 OH TYR A 68 1.955 0.865 -6.830 1.00 0.00 O ATOM 0 H TYR A 68 -3.890 1.906 -7.620 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.844 0.744 -10.003 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.690 -0.492 -10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.593 1.225 -10.896 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.542 -1.433 -8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.054 2.640 -9.703 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.524 -1.260 -7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.009 2.799 -8.245 1.00 0.00 H new ATOM 0 HH TYR A 68 2.328 1.769 -6.893 1.00 0.00 H new ATOM 1012 N SER A 69 -4.380 -1.627 -8.918 1.00 0.00 N ATOM 1013 CA SER A 69 -4.592 -2.812 -8.107 1.00 0.00 C ATOM 1014 C SER A 69 -3.603 -3.908 -8.511 1.00 0.00 C ATOM 1015 O SER A 69 -2.789 -3.712 -9.411 1.00 0.00 O ATOM 1016 CB SER A 69 -6.030 -3.320 -8.239 1.00 0.00 C ATOM 1017 OG SER A 69 -6.183 -4.636 -7.714 1.00 0.00 O ATOM 0 H SER A 69 -4.391 -1.791 -9.925 1.00 0.00 H new ATOM 0 HA SER A 69 -4.423 -2.546 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.704 -2.641 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.322 -3.313 -9.289 1.00 0.00 H new ATOM 0 HG SER A 69 -7.136 -4.855 -7.653 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.709 -5.037 -7.826 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.834 -6.164 -8.104 1.00 0.00 C ATOM 1025 C VAL A 70 -3.312 -7.382 -7.311 1.00 0.00 C ATOM 1026 O VAL A 70 -3.698 -7.259 -6.150 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.382 -5.786 -7.801 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.700 -5.196 -9.038 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.302 -4.819 -6.617 1.00 0.00 C ATOM 0 H VAL A 70 -4.386 -5.196 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.874 -6.427 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.849 -6.696 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.330 -4.936 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.709 -5.930 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.235 -4.301 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.259 -4.567 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.858 -3.911 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.732 -5.290 -5.733 1.00 0.00 H new ATOM 1039 N THR A 71 -3.270 -8.531 -7.970 1.00 0.00 N ATOM 1040 CA THR A 71 -3.694 -9.770 -7.341 1.00 0.00 C ATOM 1041 C THR A 71 -2.488 -10.515 -6.765 1.00 0.00 C ATOM 1042 O THR A 71 -1.372 -10.376 -7.261 1.00 0.00 O ATOM 1043 CB THR A 71 -4.472 -10.584 -8.377 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.528 -9.714 -8.780 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.193 -11.783 -7.759 1.00 0.00 C ATOM 0 H THR A 71 -2.949 -8.630 -8.933 1.00 0.00 H new ATOM 0 HA THR A 71 -4.353 -9.578 -6.495 1.00 0.00 H new ATOM 0 HB THR A 71 -3.789 -10.932 -9.152 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.082 -10.162 -9.453 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.729 -12.326 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.464 -12.445 -7.292 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.901 -11.434 -7.007 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.755 -11.290 -5.722 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.706 -12.056 -5.073 1.00 0.00 C ATOM 1055 C LEU A 72 -2.049 -13.546 -5.147 1.00 0.00 C ATOM 1056 O LEU A 72 -3.153 -13.913 -5.544 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.475 -11.548 -3.649 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.918 -10.129 -3.525 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -1.151 -9.568 -2.121 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.559 -10.082 -3.923 1.00 0.00 C ATOM 0 H LEU A 72 -3.682 -11.403 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.757 -11.920 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.421 -11.594 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.789 -12.231 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.460 -9.489 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.745 -8.558 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.221 -9.542 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.653 -10.203 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.930 -9.062 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.133 -10.740 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.668 -10.411 -4.957 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.081 -14.363 -4.756 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.268 -15.804 -4.772 1.00 0.00 C ATOM 1074 C GLY A 73 -0.285 -16.495 -3.825 1.00 0.00 C ATOM 1075 O GLY A 73 0.227 -17.571 -4.131 1.00 0.00 O ATOM 0 H GLY A 73 -0.166 -14.055 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.290 -16.045 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.129 -16.181 -5.785 1.00 0.00 H new ATOM 1079 N THR A 74 -0.051 -15.848 -2.692 1.00 0.00 N ATOM 1080 CA THR A 74 0.861 -16.386 -1.697 1.00 0.00 C ATOM 1081 C THR A 74 0.426 -15.965 -0.293 1.00 0.00 C ATOM 1082 O THR A 74 0.075 -14.808 -0.067 1.00 0.00 O ATOM 1083 CB THR A 74 2.276 -15.930 -2.058 1.00 0.00 C ATOM 1084 OG1 THR A 74 2.606 -16.701 -3.210 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.312 -16.356 -1.015 1.00 0.00 C ATOM 0 H THR A 74 -0.478 -14.956 -2.441 1.00 0.00 H new ATOM 0 HA THR A 74 0.846 -17.476 -1.694 1.00 0.00 H new ATOM 0 HB THR A 74 2.292 -14.845 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.847 -17.273 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.299 -16.008 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.056 -15.921 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.320 -17.443 -0.933 1.00 0.00 H new ATOM 1093 N PRO A 75 0.465 -16.953 0.642 1.00 0.00 N ATOM 1094 CA PRO A 75 0.080 -16.697 2.019 1.00 0.00 C ATOM 1095 C PRO A 75 1.166 -15.911 2.755 1.00 0.00 C ATOM 1096 O PRO A 75 2.353 -16.074 2.476 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.169 -18.070 2.620 1.00 0.00 C ATOM 1098 CG PRO A 75 0.530 -19.060 1.702 1.00 0.00 C ATOM 1099 CD PRO A 75 0.876 -18.335 0.412 1.00 0.00 C ATOM 0 HA PRO A 75 -0.812 -16.075 2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.227 -18.130 3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.236 -18.281 2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.432 -19.448 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.116 -19.914 1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.942 -18.400 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.350 -18.768 -0.439 1.00 0.00 H new ATOM 1107 N GLY A 76 0.722 -15.074 3.681 1.00 0.00 N ATOM 1108 CA GLY A 76 1.641 -14.262 4.460 1.00 0.00 C ATOM 1109 C GLY A 76 1.081 -12.855 4.679 1.00 0.00 C ATOM 1110 O GLY A 76 -0.024 -12.548 4.234 1.00 0.00 O ATOM 0 H GLY A 76 -0.263 -14.941 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.825 -14.738 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.601 -14.199 3.947 1.00 0.00 H new ATOM 1114 N THR A 77 1.868 -12.039 5.364 1.00 0.00 N ATOM 1115 CA THR A 77 1.464 -10.672 5.647 1.00 0.00 C ATOM 1116 C THR A 77 2.368 -9.684 4.908 1.00 0.00 C ATOM 1117 O THR A 77 3.568 -9.620 5.169 1.00 0.00 O ATOM 1118 CB THR A 77 1.470 -10.483 7.165 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.415 -11.322 7.625 1.00 0.00 O ATOM 1120 CG2 THR A 77 1.036 -9.076 7.582 1.00 0.00 C ATOM 0 H THR A 77 2.784 -12.298 5.732 1.00 0.00 H new ATOM 0 HA THR A 77 0.456 -10.474 5.284 1.00 0.00 H new ATOM 0 HB THR A 77 2.469 -10.684 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.350 -11.261 8.601 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.058 -8.996 8.669 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.717 -8.342 7.150 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.024 -8.887 7.225 1.00 0.00 H new ATOM 1128 N TYR A 78 1.757 -8.939 3.998 1.00 0.00 N ATOM 1129 CA TYR A 78 2.492 -7.957 3.219 1.00 0.00 C ATOM 1130 C TYR A 78 2.497 -6.596 3.917 1.00 0.00 C ATOM 1131 O TYR A 78 1.443 -6.078 4.285 1.00 0.00 O ATOM 1132 CB TYR A 78 1.747 -7.831 1.889 1.00 0.00 C ATOM 1133 CG TYR A 78 1.689 -9.131 1.082 1.00 0.00 C ATOM 1134 CD1 TYR A 78 0.777 -10.112 1.418 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.548 -9.322 0.021 1.00 0.00 C ATOM 1136 CE1 TYR A 78 0.723 -11.334 0.659 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.495 -10.546 -0.738 1.00 0.00 C ATOM 1138 CZ TYR A 78 1.584 -11.491 -0.381 1.00 0.00 C ATOM 1139 OH TYR A 78 1.532 -12.646 -1.098 1.00 0.00 O ATOM 0 H TYR A 78 0.762 -8.996 3.783 1.00 0.00 H new ATOM 0 HA TYR A 78 3.529 -8.268 3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.730 -7.491 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.229 -7.062 1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.105 -9.962 2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.261 -8.554 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.014 -12.109 0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.163 -10.709 -1.571 1.00 0.00 H new ATOM 0 HH TYR A 78 0.992 -13.306 -0.616 1.00 0.00 H new ATOM 1149 N SER A 79 3.696 -6.055 4.078 1.00 0.00 N ATOM 1150 CA SER A 79 3.853 -4.763 4.726 1.00 0.00 C ATOM 1151 C SER A 79 4.404 -3.742 3.730 1.00 0.00 C ATOM 1152 O SER A 79 5.282 -4.062 2.929 1.00 0.00 O ATOM 1153 CB SER A 79 4.772 -4.866 5.944 1.00 0.00 C ATOM 1154 OG SER A 79 4.679 -6.139 6.578 1.00 0.00 O ATOM 0 H SER A 79 4.567 -6.487 3.771 1.00 0.00 H new ATOM 0 HA SER A 79 2.873 -4.432 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.803 -4.689 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.514 -4.085 6.659 1.00 0.00 H new ATOM 0 HG SER A 79 5.282 -6.165 7.350 1.00 0.00 H new ATOM 1160 N PHE A 80 3.867 -2.533 3.811 1.00 0.00 N ATOM 1161 CA PHE A 80 4.295 -1.462 2.927 1.00 0.00 C ATOM 1162 C PHE A 80 4.316 -0.120 3.661 1.00 0.00 C ATOM 1163 O PHE A 80 3.879 -0.028 4.807 1.00 0.00 O ATOM 1164 CB PHE A 80 3.277 -1.391 1.787 1.00 0.00 C ATOM 1165 CG PHE A 80 1.842 -1.704 2.213 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.512 -2.958 2.623 1.00 0.00 C ATOM 1167 CD2 PHE A 80 0.896 -0.727 2.184 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.179 -3.249 3.019 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.437 -1.017 2.580 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.767 -2.272 2.989 1.00 0.00 C ATOM 0 H PHE A 80 3.139 -2.272 4.476 1.00 0.00 H new ATOM 0 HA PHE A 80 5.303 -1.661 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.306 -0.393 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.573 -2.090 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.264 -3.733 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.158 0.269 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.083 -4.245 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.188 -0.242 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.780 -2.493 3.290 1.00 0.00 H new ATOM 1180 N TYR A 81 4.828 0.887 2.970 1.00 0.00 N ATOM 1181 CA TYR A 81 4.912 2.221 3.542 1.00 0.00 C ATOM 1182 C TYR A 81 5.052 3.279 2.446 1.00 0.00 C ATOM 1183 O TYR A 81 5.330 2.952 1.294 1.00 0.00 O ATOM 1184 CB TYR A 81 6.174 2.230 4.407 1.00 0.00 C ATOM 1185 CG TYR A 81 7.455 1.886 3.643 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.940 2.752 2.684 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.125 0.710 3.914 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.144 2.428 1.965 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.330 0.387 3.194 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.780 1.262 2.257 1.00 0.00 C ATOM 1191 OH TYR A 81 10.919 0.956 1.578 1.00 0.00 O ATOM 0 H TYR A 81 5.189 0.807 2.019 1.00 0.00 H new ATOM 0 HA TYR A 81 4.012 2.452 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.286 3.216 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.048 1.519 5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.416 3.673 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.746 0.033 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.533 3.096 1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.864 -0.530 3.394 1.00 0.00 H new ATOM 0 HH TYR A 81 11.265 0.094 1.891 1.00 0.00 H new ATOM 1201 N CYS A 82 4.852 4.527 2.844 1.00 0.00 N ATOM 1202 CA CYS A 82 4.951 5.636 1.911 1.00 0.00 C ATOM 1203 C CYS A 82 6.428 6.014 1.770 1.00 0.00 C ATOM 1204 O CYS A 82 7.205 5.860 2.711 1.00 0.00 O ATOM 1205 CB CYS A 82 4.098 6.826 2.352 1.00 0.00 C ATOM 1206 SG CYS A 82 3.290 7.738 0.987 1.00 0.00 S ATOM 0 H CYS A 82 4.622 4.795 3.801 1.00 0.00 H new ATOM 0 HA CYS A 82 4.559 5.333 0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.329 6.470 3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.727 7.519 2.911 1.00 0.00 H new ATOM 0 HG CYS A 82 3.088 8.970 1.348 1.00 0.00 H new ATOM 1211 N THR A 83 6.770 6.502 0.586 1.00 0.00 N ATOM 1212 CA THR A 83 8.139 6.904 0.311 1.00 0.00 C ATOM 1213 C THR A 83 8.425 8.279 0.917 1.00 0.00 C ATOM 1214 O THR A 83 9.389 8.445 1.663 1.00 0.00 O ATOM 1215 CB THR A 83 8.352 6.851 -1.203 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.152 5.690 -1.402 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.227 7.999 -1.712 1.00 0.00 C ATOM 0 H THR A 83 6.123 6.628 -0.193 1.00 0.00 H new ATOM 0 HA THR A 83 8.851 6.224 0.779 1.00 0.00 H new ATOM 0 HB THR A 83 7.385 6.881 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.469 5.666 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.347 7.914 -2.792 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.753 8.951 -1.473 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.205 7.950 -1.234 1.00 0.00 H new ATOM 1225 N PRO A 84 7.545 9.255 0.567 1.00 0.00 N ATOM 1226 CA PRO A 84 7.693 10.612 1.068 1.00 0.00 C ATOM 1227 C PRO A 84 7.263 10.704 2.533 1.00 0.00 C ATOM 1228 O PRO A 84 7.898 11.395 3.328 1.00 0.00 O ATOM 1229 CB PRO A 84 6.840 11.466 0.145 1.00 0.00 C ATOM 1230 CG PRO A 84 5.885 10.508 -0.548 1.00 0.00 C ATOM 1231 CD PRO A 84 6.391 9.095 -0.314 1.00 0.00 C ATOM 0 HA PRO A 84 8.728 10.953 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.293 12.223 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.459 11.994 -0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.876 10.622 -0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.835 10.724 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.625 8.471 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.672 8.615 -1.251 1.00 0.00 H new ATOM 1239 N HIS A 85 6.188 9.996 2.848 1.00 0.00 N ATOM 1240 CA HIS A 85 5.666 9.989 4.203 1.00 0.00 C ATOM 1241 C HIS A 85 6.251 8.803 4.973 1.00 0.00 C ATOM 1242 O HIS A 85 5.572 8.201 5.803 1.00 0.00 O ATOM 1243 CB HIS A 85 4.137 9.995 4.198 1.00 0.00 C ATOM 1244 CG HIS A 85 3.530 11.193 3.506 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.873 11.104 2.291 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.486 12.506 3.872 1.00 0.00 C ATOM 1247 CE1 HIS A 85 2.458 12.315 1.949 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.839 13.182 2.931 1.00 0.00 N ATOM 0 H HIS A 85 5.664 9.423 2.187 1.00 0.00 H new ATOM 0 HA HIS A 85 5.973 10.899 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.782 9.088 3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.780 9.963 5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.906 12.925 4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.914 12.571 1.052 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.656 14.185 2.940 1.00 0.00 H new ATOM 1256 N ARG A 86 7.505 8.502 4.669 1.00 0.00 N ATOM 1257 CA ARG A 86 8.190 7.400 5.321 1.00 0.00 C ATOM 1258 C ARG A 86 8.522 7.763 6.770 1.00 0.00 C ATOM 1259 O ARG A 86 8.915 6.902 7.555 1.00 0.00 O ATOM 1260 CB ARG A 86 9.482 7.040 4.585 1.00 0.00 C ATOM 1261 CG ARG A 86 9.757 5.537 4.662 1.00 0.00 C ATOM 1262 CD ARG A 86 10.206 4.991 3.305 1.00 0.00 C ATOM 1263 NE ARG A 86 11.174 3.887 3.498 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.493 4.064 3.659 1.00 0.00 C ATOM 1265 NH1 ARG A 86 13.009 5.300 3.650 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.294 3.004 3.828 1.00 0.00 N ATOM 0 H ARG A 86 8.065 9.003 3.979 1.00 0.00 H new ATOM 0 HA ARG A 86 7.522 6.539 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.408 7.347 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.317 7.589 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.527 5.342 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.857 5.015 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.342 4.634 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.662 5.787 2.716 1.00 0.00 H new ATOM 0 HE ARG A 86 10.815 2.932 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.398 6.107 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.013 5.435 3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.900 2.063 3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.298 3.138 3.951 1.00 0.00 H new ATOM 1280 N GLY A 87 8.351 9.040 7.080 1.00 0.00 N ATOM 1281 CA GLY A 87 8.627 9.528 8.421 1.00 0.00 C ATOM 1282 C GLY A 87 7.339 9.957 9.124 1.00 0.00 C ATOM 1283 O GLY A 87 7.249 9.905 10.350 1.00 0.00 O ATOM 0 H GLY A 87 8.025 9.751 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.120 8.748 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.316 10.371 8.370 1.00 0.00 H new ATOM 1287 N ALA A 88 6.373 10.373 8.318 1.00 0.00 N ATOM 1288 CA ALA A 88 5.093 10.812 8.848 1.00 0.00 C ATOM 1289 C ALA A 88 4.411 9.640 9.558 1.00 0.00 C ATOM 1290 O ALA A 88 3.623 9.842 10.480 1.00 0.00 O ATOM 1291 CB ALA A 88 4.240 11.384 7.714 1.00 0.00 C ATOM 0 H ALA A 88 6.451 10.415 7.302 1.00 0.00 H new ATOM 0 HA ALA A 88 5.233 11.605 9.582 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.280 11.713 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.756 12.232 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.076 10.615 6.959 1.00 0.00 H new ATOM 1297 N GLY A 89 4.739 8.441 9.099 1.00 0.00 N ATOM 1298 CA GLY A 89 4.167 7.237 9.679 1.00 0.00 C ATOM 1299 C GLY A 89 3.018 6.707 8.819 1.00 0.00 C ATOM 1300 O GLY A 89 1.890 6.580 9.293 1.00 0.00 O ATOM 0 H GLY A 89 5.393 8.277 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.938 6.473 9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.805 7.450 10.685 1.00 0.00 H new ATOM 1304 N MET A 90 3.344 6.412 7.569 1.00 0.00 N ATOM 1305 CA MET A 90 2.352 5.899 6.639 1.00 0.00 C ATOM 1306 C MET A 90 2.694 4.471 6.206 1.00 0.00 C ATOM 1307 O MET A 90 3.338 4.267 5.178 1.00 0.00 O ATOM 1308 CB MET A 90 2.291 6.804 5.407 1.00 0.00 C ATOM 1309 CG MET A 90 1.324 7.968 5.630 1.00 0.00 C ATOM 1310 SD MET A 90 0.535 8.411 4.092 1.00 0.00 S ATOM 1311 CE MET A 90 -0.092 6.815 3.596 1.00 0.00 C ATOM 0 H MET A 90 4.280 6.518 7.179 1.00 0.00 H new ATOM 0 HA MET A 90 1.384 5.886 7.140 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.286 7.190 5.185 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.974 6.224 4.540 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.571 7.690 6.367 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.862 8.826 6.032 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.031 6.944 3.057 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.634 6.324 2.948 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.263 6.201 4.480 1.00 0.00 H new ATOM 1321 N VAL A 91 2.247 3.520 7.013 1.00 0.00 N ATOM 1322 CA VAL A 91 2.497 2.118 6.727 1.00 0.00 C ATOM 1323 C VAL A 91 1.161 1.384 6.587 1.00 0.00 C ATOM 1324 O VAL A 91 0.127 1.880 7.032 1.00 0.00 O ATOM 1325 CB VAL A 91 3.398 1.516 7.807 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.787 2.158 7.783 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.758 1.645 9.190 1.00 0.00 C ATOM 0 H VAL A 91 1.713 3.693 7.865 1.00 0.00 H new ATOM 0 HA VAL A 91 3.028 2.011 5.781 1.00 0.00 H new ATOM 0 HB VAL A 91 3.516 0.454 7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.407 1.712 8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.249 1.990 6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.696 3.229 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.419 1.209 9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.595 2.698 9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.803 1.120 9.199 1.00 0.00 H new ATOM 1337 N GLY A 92 1.227 0.215 5.967 1.00 0.00 N ATOM 1338 CA GLY A 92 0.036 -0.591 5.761 1.00 0.00 C ATOM 1339 C GLY A 92 0.378 -2.082 5.751 1.00 0.00 C ATOM 1340 O GLY A 92 1.500 -2.463 5.419 1.00 0.00 O ATOM 0 H GLY A 92 2.087 -0.193 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.687 -0.385 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.435 -0.316 4.817 1.00 0.00 H new ATOM 1344 N THR A 93 -0.609 -2.886 6.117 1.00 0.00 N ATOM 1345 CA THR A 93 -0.426 -4.327 6.154 1.00 0.00 C ATOM 1346 C THR A 93 -1.521 -5.024 5.342 1.00 0.00 C ATOM 1347 O THR A 93 -2.613 -4.485 5.173 1.00 0.00 O ATOM 1348 CB THR A 93 -0.388 -4.762 7.620 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.115 -3.619 8.307 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.660 -5.845 7.881 1.00 0.00 C ATOM 0 H THR A 93 -1.538 -2.567 6.391 1.00 0.00 H new ATOM 0 HA THR A 93 0.516 -4.618 5.689 1.00 0.00 H new ATOM 0 HB THR A 93 -1.371 -5.129 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.171 -3.812 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.646 -6.118 8.936 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.434 -6.723 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.648 -5.467 7.617 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.188 -6.213 4.860 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.129 -6.990 4.070 1.00 0.00 C ATOM 1360 C ILE A 94 -1.866 -8.480 4.292 1.00 0.00 C ATOM 1361 O ILE A 94 -0.741 -8.948 4.119 1.00 0.00 O ATOM 1362 CB ILE A 94 -2.072 -6.567 2.601 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.591 -5.139 2.421 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.819 -7.565 1.713 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.443 -4.681 0.968 1.00 0.00 C ATOM 0 H ILE A 94 -0.281 -6.657 5.001 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.151 -6.795 4.394 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.029 -6.573 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.639 -5.089 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.042 -4.463 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.763 -7.240 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.364 -8.551 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.863 -7.616 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.819 -3.663 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.391 -4.709 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.013 -5.344 0.318 1.00 0.00 H new ATOM 1377 N THR A 95 -2.921 -9.184 4.671 1.00 0.00 N ATOM 1378 CA THR A 95 -2.818 -10.613 4.919 1.00 0.00 C ATOM 1379 C THR A 95 -3.470 -11.399 3.780 1.00 0.00 C ATOM 1380 O THR A 95 -4.475 -10.967 3.217 1.00 0.00 O ATOM 1381 CB THR A 95 -3.436 -10.902 6.288 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.687 -10.088 7.186 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.164 -12.330 6.764 1.00 0.00 C ATOM 0 H THR A 95 -3.852 -8.793 4.813 1.00 0.00 H new ATOM 0 HA THR A 95 -1.777 -10.936 4.942 1.00 0.00 H new ATOM 0 HB THR A 95 -4.512 -10.734 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.023 -10.213 8.098 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.624 -12.482 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.585 -13.038 6.050 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.088 -12.489 6.841 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.872 -12.542 3.475 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.383 -13.393 2.413 1.00 0.00 C ATOM 1393 C VAL A 96 -3.579 -14.812 2.952 1.00 0.00 C ATOM 1394 O VAL A 96 -2.816 -15.717 2.619 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.448 -13.337 1.203 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.640 -14.562 0.305 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.649 -12.042 0.415 1.00 0.00 C ATOM 0 H VAL A 96 -2.039 -12.898 3.944 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.356 -13.037 2.073 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.422 -13.349 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.964 -14.498 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.423 -15.467 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.670 -14.595 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.973 -12.027 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.679 -11.986 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.439 -11.188 1.059 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.605 -14.960 3.776 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.911 -16.253 4.365 1.00 0.00 C ATOM 1409 C GLU A 97 -5.661 -17.129 3.359 1.00 0.00 C ATOM 1410 O GLU A 97 -6.571 -17.868 3.732 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.715 -16.091 5.656 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.070 -16.870 6.805 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.383 -18.364 6.698 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -6.476 -18.749 7.162 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -4.519 -19.086 6.153 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.250 -17.019 2.104 1.00 0.00 O ATOM 0 H GLU A 97 -5.235 -14.206 4.050 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.973 -16.746 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.779 -15.035 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.735 -16.443 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.991 -16.719 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.433 -16.486 7.758 1.00 0.00 H new