USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 54 PHE H : A 54 PHE N : A 20 MET SD :(H bumps) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 5 THR OG1 : rot 113:sc= 0.926 USER MOD Single : A 17 THR OG1 : rot 157:sc= 0.391 USER MOD Single : A 20 MET CE :methyl -119:sc= -0.532! (180deg=-2.05!) USER MOD Single : A 24 THR OG1 : rot 84:sc= -28.9! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 47 THR OG1 : rot 61:sc= -0.198! USER MOD Single : A 55 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 61:sc= 1.26 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 116:sc= 0.179 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -137:sc= -16.7! (180deg=-24!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -1.746 -32.166 8.137 1.00 0.00 N ATOM 2 CA ALA A 2 -0.645 -32.590 8.985 1.00 0.00 C ATOM 3 C ALA A 2 0.016 -31.360 9.609 1.00 0.00 C ATOM 4 O ALA A 2 1.228 -31.341 9.816 1.00 0.00 O ATOM 5 CB ALA A 2 0.338 -33.428 8.166 1.00 0.00 C ATOM 0 HA ALA A 2 -1.008 -33.217 9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.164 -33.746 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.174 -34.305 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.725 -32.831 7.340 1.00 0.00 H new ATOM 6 N GLN A 3 -0.810 -30.362 9.892 1.00 0.00 N ATOM 7 CA GLN A 3 -0.320 -29.131 10.487 1.00 0.00 C ATOM 8 C GLN A 3 0.367 -28.267 9.429 1.00 0.00 C ATOM 9 O GLN A 3 -0.082 -27.157 9.140 1.00 0.00 O ATOM 10 CB GLN A 3 0.625 -29.425 11.654 1.00 0.00 C ATOM 11 CG GLN A 3 0.006 -30.438 12.619 1.00 0.00 C ATOM 12 CD GLN A 3 0.835 -30.553 13.900 1.00 0.00 C ATOM 13 OE1 GLN A 3 1.903 -29.979 14.032 1.00 0.00 O ATOM 14 NE2 GLN A 3 0.285 -31.325 14.833 1.00 0.00 N ATOM 0 H GLN A 3 -1.815 -30.382 9.720 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.171 -28.577 10.883 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.570 -29.811 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.850 -28.501 12.186 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.012 -30.135 12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.060 -31.413 12.136 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.613 -31.777 14.657 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.761 -31.465 15.724 1.00 0.00 H new ATOM 15 N ILE A 4 1.445 -28.806 8.878 1.00 0.00 N ATOM 16 CA ILE A 4 2.199 -28.097 7.858 1.00 0.00 C ATOM 17 C ILE A 4 1.293 -27.062 7.188 1.00 0.00 C ATOM 18 O ILE A 4 0.535 -27.390 6.277 1.00 0.00 O ATOM 19 CB ILE A 4 2.832 -29.085 6.876 1.00 0.00 C ATOM 20 CG1 ILE A 4 1.972 -30.342 6.732 1.00 0.00 C ATOM 21 CG2 ILE A 4 4.270 -29.416 7.281 1.00 0.00 C ATOM 22 CD1 ILE A 4 0.564 -29.990 6.247 1.00 0.00 C ATOM 0 H ILE A 4 1.814 -29.726 9.119 1.00 0.00 H new ATOM 0 HA ILE A 4 3.029 -27.553 8.308 1.00 0.00 H new ATOM 0 HB ILE A 4 2.876 -28.611 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.442 -31.030 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.912 -30.858 7.690 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.696 -30.120 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.865 -28.503 7.290 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.274 -29.861 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.027 -30.901 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.088 -29.322 6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.626 -29.496 5.277 1.00 0.00 H new ATOM 23 N THR A 5 1.402 -25.830 7.667 1.00 0.00 N ATOM 24 CA THR A 5 0.602 -24.744 7.126 1.00 0.00 C ATOM 25 C THR A 5 -0.746 -25.271 6.628 1.00 0.00 C ATOM 26 O THR A 5 -1.017 -25.257 5.429 1.00 0.00 O ATOM 27 CB THR A 5 1.422 -24.050 6.037 1.00 0.00 C ATOM 28 OG1 THR A 5 0.473 -23.239 5.351 1.00 0.00 O ATOM 29 CG2 THR A 5 1.922 -25.024 4.969 1.00 0.00 C ATOM 0 H THR A 5 2.032 -25.561 8.423 1.00 0.00 H new ATOM 0 HA THR A 5 0.364 -24.008 7.894 1.00 0.00 H new ATOM 0 HB THR A 5 2.273 -23.543 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.679 -22.293 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.498 -24.479 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.554 -25.780 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.070 -25.507 4.490 1.00 0.00 H new ATOM 30 N GLY A 6 -1.555 -25.722 7.575 1.00 0.00 N ATOM 31 CA GLY A 6 -2.867 -26.251 7.248 1.00 0.00 C ATOM 32 C GLY A 6 -3.855 -25.123 6.949 1.00 0.00 C ATOM 33 O GLY A 6 -4.735 -25.272 6.103 1.00 0.00 O ATOM 0 H GLY A 6 -1.327 -25.732 8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.792 -26.911 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.237 -26.853 8.078 1.00 0.00 H new ATOM 34 N ARG A 7 -3.677 -24.020 7.661 1.00 0.00 N ATOM 35 CA ARG A 7 -4.543 -22.866 7.483 1.00 0.00 C ATOM 36 C ARG A 7 -4.255 -22.190 6.141 1.00 0.00 C ATOM 37 O ARG A 7 -3.170 -22.342 5.584 1.00 0.00 O ATOM 38 CB ARG A 7 -4.344 -21.849 8.610 1.00 0.00 C ATOM 39 CG ARG A 7 -3.055 -21.050 8.406 1.00 0.00 C ATOM 40 CD ARG A 7 -2.526 -20.514 9.738 1.00 0.00 C ATOM 41 NE ARG A 7 -1.838 -21.595 10.481 1.00 0.00 N ATOM 42 CZ ARG A 7 -0.610 -22.044 10.185 1.00 0.00 C ATOM 43 NH1 ARG A 7 0.071 -21.511 9.162 1.00 0.00 N ATOM 44 NH2 ARG A 7 -0.064 -23.027 10.913 1.00 0.00 N ATOM 0 H ARG A 7 -2.946 -23.901 8.362 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.574 -23.218 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.195 -21.169 8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.308 -22.366 9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.300 -21.683 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.241 -20.220 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.837 -19.688 9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.349 -20.119 10.333 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.328 -22.024 11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.345 -20.763 8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.005 -21.853 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.583 -23.433 11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.870 -23.369 10.689 1.00 0.00 H new ATOM 45 N PRO A 8 -5.276 -21.438 5.646 1.00 0.00 N ATOM 46 CA PRO A 8 -5.145 -20.739 4.379 1.00 0.00 C ATOM 47 C PRO A 8 -4.481 -19.374 4.573 1.00 0.00 C ATOM 48 O PRO A 8 -5.117 -18.339 4.385 1.00 0.00 O ATOM 49 CB PRO A 8 -6.560 -20.638 3.837 1.00 0.00 C ATOM 50 CG PRO A 8 -7.479 -20.791 5.038 1.00 0.00 C ATOM 51 CD PRO A 8 -6.616 -21.103 6.250 1.00 0.00 C ATOM 0 HA PRO A 8 -4.499 -21.263 3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.721 -19.680 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.751 -21.416 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.049 -19.877 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.200 -21.590 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.550 -20.251 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.017 -21.937 6.825 1.00 0.00 H new ATOM 52 N GLU A 9 -3.210 -19.418 4.945 1.00 0.00 N ATOM 53 CA GLU A 9 -2.453 -18.196 5.166 1.00 0.00 C ATOM 54 C GLU A 9 -2.111 -17.535 3.830 1.00 0.00 C ATOM 55 O GLU A 9 -1.831 -16.338 3.779 1.00 0.00 O ATOM 56 CB GLU A 9 -1.188 -18.476 5.980 1.00 0.00 C ATOM 57 CG GLU A 9 -0.139 -19.197 5.131 1.00 0.00 C ATOM 58 CD GLU A 9 1.018 -19.699 5.999 1.00 0.00 C ATOM 59 OE1 GLU A 9 1.959 -18.942 6.279 1.00 0.00 O ATOM 60 OE2 GLU A 9 1.014 -20.865 6.422 1.00 0.00 O ATOM 0 H GLU A 9 -2.685 -20.279 5.099 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.071 -17.507 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.777 -17.538 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.438 -19.084 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.601 -20.037 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.242 -18.521 4.366 1.00 0.00 H new ATOM 61 N TRP A 10 -2.147 -18.343 2.780 1.00 0.00 N ATOM 62 CA TRP A 10 -1.844 -17.850 1.447 1.00 0.00 C ATOM 63 C TRP A 10 -3.008 -16.967 0.994 1.00 0.00 C ATOM 64 O TRP A 10 -2.802 -15.965 0.311 1.00 0.00 O ATOM 65 CB TRP A 10 -1.562 -19.008 0.485 1.00 0.00 C ATOM 66 CG TRP A 10 -1.310 -18.569 -0.958 1.00 0.00 C ATOM 67 CD1 TRP A 10 -2.100 -18.747 -2.025 1.00 0.00 C ATOM 68 CD2 TRP A 10 -0.182 -17.879 -1.482 1.00 0.00 C ATOM 69 NE1 TRP A 10 -1.537 -18.214 -3.167 1.00 0.00 N ATOM 70 CE2 TRP A 10 -0.312 -17.663 -2.808 1.00 0.00 C ATOM 71 CE3 TRP A 10 0.968 -17.435 -0.796 1.00 0.00 C ATOM 72 CZ2 TRP A 10 0.635 -17.007 -3.604 1.00 0.00 C ATOM 73 CZ3 TRP A 10 1.915 -16.780 -1.593 1.00 0.00 C ATOM 74 CH2 TRP A 10 1.779 -16.557 -2.957 1.00 0.00 C ATOM 0 H TRP A 10 -2.381 -19.335 2.825 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.934 -17.250 1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.694 -19.561 0.843 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.407 -19.696 0.503 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.058 -19.245 -1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.945 -18.223 -4.102 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.108 -17.589 0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.484 -16.859 -4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.814 -16.423 -1.113 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.552 -16.041 -3.507 1.00 0.00 H new ATOM 75 N ILE A 11 -4.206 -17.370 1.392 1.00 0.00 N ATOM 76 CA ILE A 11 -5.402 -16.627 1.036 1.00 0.00 C ATOM 77 C ILE A 11 -5.477 -15.353 1.878 1.00 0.00 C ATOM 78 O ILE A 11 -5.843 -14.293 1.376 1.00 0.00 O ATOM 79 CB ILE A 11 -6.642 -17.517 1.159 1.00 0.00 C ATOM 80 CG1 ILE A 11 -6.478 -18.800 0.341 1.00 0.00 C ATOM 81 CG2 ILE A 11 -7.908 -16.750 0.775 1.00 0.00 C ATOM 82 CD1 ILE A 11 -6.210 -18.481 -1.131 1.00 0.00 C ATOM 0 H ILE A 11 -4.374 -18.202 1.958 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.360 -16.318 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.749 -17.812 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.655 -19.390 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.379 -19.408 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.774 -17.405 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.028 -15.891 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.826 -16.406 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.097 -19.410 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.046 -17.912 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.296 -17.894 -1.215 1.00 0.00 H new ATOM 83 N TRP A 12 -5.122 -15.498 3.147 1.00 0.00 N ATOM 84 CA TRP A 12 -5.144 -14.372 4.064 1.00 0.00 C ATOM 85 C TRP A 12 -4.105 -13.354 3.589 1.00 0.00 C ATOM 86 O TRP A 12 -4.317 -12.148 3.696 1.00 0.00 O ATOM 87 CB TRP A 12 -4.912 -14.833 5.504 1.00 0.00 C ATOM 88 CG TRP A 12 -4.780 -13.688 6.511 1.00 0.00 C ATOM 89 CD1 TRP A 12 -5.750 -13.108 7.229 1.00 0.00 C ATOM 90 CD2 TRP A 12 -3.604 -12.995 6.902 1.00 0.00 C ATOM 91 NE1 TRP A 12 -5.250 -12.104 8.035 1.00 0.00 N ATOM 92 CE2 TRP A 12 -3.879 -12.040 7.818 1.00 0.00 C ATOM 93 CE3 TRP A 12 -2.281 -13.195 6.456 1.00 0.00 C ATOM 94 CZ2 TRP A 12 -2.926 -11.192 8.394 1.00 0.00 C ATOM 95 CZ3 TRP A 12 -1.327 -12.346 7.033 1.00 0.00 C ATOM 96 CH2 TRP A 12 -1.611 -11.365 7.975 1.00 0.00 C ATOM 0 H TRP A 12 -4.817 -16.379 3.561 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.124 -13.895 4.065 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.739 -15.476 5.806 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.007 -15.440 5.539 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.792 -13.390 7.184 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.788 -11.517 8.672 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.022 -13.946 5.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.197 -10.444 9.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.299 -12.462 6.724 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.822 -10.746 8.376 1.00 0.00 H new ATOM 97 N LEU A 13 -3.003 -13.879 3.071 1.00 0.00 N ATOM 98 CA LEU A 13 -1.931 -13.031 2.578 1.00 0.00 C ATOM 99 C LEU A 13 -2.401 -12.307 1.315 1.00 0.00 C ATOM 100 O LEU A 13 -2.129 -11.119 1.140 1.00 0.00 O ATOM 101 CB LEU A 13 -0.652 -13.847 2.378 1.00 0.00 C ATOM 102 CG LEU A 13 0.450 -12.975 1.774 1.00 0.00 C ATOM 103 CD1 LEU A 13 0.881 -11.880 2.751 1.00 0.00 C ATOM 104 CD2 LEU A 13 1.634 -13.829 1.310 1.00 0.00 C ATOM 0 H LEU A 13 -2.830 -14.880 2.982 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.682 -12.265 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.320 -14.254 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.853 -14.695 1.723 1.00 0.00 H new ATOM 0 HG LEU A 13 0.046 -12.478 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.665 -11.275 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.026 -11.247 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.259 -12.337 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.403 -13.184 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.046 -14.373 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.297 -14.539 0.554 1.00 0.00 H new ATOM 105 N ALA A 14 -3.096 -13.049 0.468 1.00 0.00 N ATOM 106 CA ALA A 14 -3.605 -12.491 -0.773 1.00 0.00 C ATOM 107 C ALA A 14 -4.566 -11.343 -0.455 1.00 0.00 C ATOM 108 O ALA A 14 -4.529 -10.300 -1.105 1.00 0.00 O ATOM 109 CB ALA A 14 -4.272 -13.597 -1.594 1.00 0.00 C ATOM 0 H ALA A 14 -3.319 -14.033 0.616 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.791 -12.084 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.654 -13.179 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.542 -14.375 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.096 -14.027 -1.024 1.00 0.00 H new ATOM 110 N LEU A 15 -5.403 -11.574 0.545 1.00 0.00 N ATOM 111 CA LEU A 15 -6.372 -10.572 0.957 1.00 0.00 C ATOM 112 C LEU A 15 -5.633 -9.364 1.537 1.00 0.00 C ATOM 113 O LEU A 15 -6.023 -8.222 1.299 1.00 0.00 O ATOM 114 CB LEU A 15 -7.398 -11.181 1.913 1.00 0.00 C ATOM 115 CG LEU A 15 -8.328 -12.137 1.165 1.00 0.00 C ATOM 116 CD1 LEU A 15 -8.910 -13.190 2.110 1.00 0.00 C ATOM 117 CD2 LEU A 15 -9.420 -11.369 0.417 1.00 0.00 C ATOM 0 H LEU A 15 -5.431 -12.440 1.083 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.942 -10.217 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.886 -11.715 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.982 -10.389 2.381 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.740 -12.668 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.568 -13.856 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.100 -13.768 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.478 -12.697 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.067 -12.073 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.011 -10.792 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.961 -10.694 -0.305 1.00 0.00 H new ATOM 118 N GLY A 16 -4.581 -9.658 2.287 1.00 0.00 N ATOM 119 CA GLY A 16 -3.785 -8.610 2.902 1.00 0.00 C ATOM 120 C GLY A 16 -3.123 -7.729 1.840 1.00 0.00 C ATOM 121 O GLY A 16 -3.070 -6.509 1.985 1.00 0.00 O ATOM 0 H GLY A 16 -4.262 -10.607 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.418 -7.998 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.020 -9.055 3.538 1.00 0.00 H new ATOM 122 N THR A 17 -2.633 -8.383 0.796 1.00 0.00 N ATOM 123 CA THR A 17 -1.977 -7.675 -0.289 1.00 0.00 C ATOM 124 C THR A 17 -2.992 -6.840 -1.073 1.00 0.00 C ATOM 125 O THR A 17 -2.679 -5.739 -1.525 1.00 0.00 O ATOM 126 CB THR A 17 -1.244 -8.705 -1.151 1.00 0.00 C ATOM 127 OG1 THR A 17 -0.420 -9.409 -0.225 1.00 0.00 O ATOM 128 CG2 THR A 17 -0.250 -8.059 -2.118 1.00 0.00 C ATOM 0 H THR A 17 -2.678 -9.395 0.679 1.00 0.00 H new ATOM 0 HA THR A 17 -1.243 -6.965 0.090 1.00 0.00 H new ATOM 0 HB THR A 17 -1.971 -9.289 -1.715 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.206 -10.295 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.242 -8.834 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.781 -7.380 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.497 -7.502 -1.553 1.00 0.00 H new ATOM 129 N ALA A 18 -4.188 -7.396 -1.209 1.00 0.00 N ATOM 130 CA ALA A 18 -5.249 -6.716 -1.931 1.00 0.00 C ATOM 131 C ALA A 18 -5.655 -5.456 -1.162 1.00 0.00 C ATOM 132 O ALA A 18 -5.858 -4.400 -1.759 1.00 0.00 O ATOM 133 CB ALA A 18 -6.422 -7.676 -2.136 1.00 0.00 C ATOM 0 H ALA A 18 -4.445 -8.308 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.905 -6.405 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.219 -7.166 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.088 -8.541 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.796 -8.006 -1.167 1.00 0.00 H new ATOM 134 N LEU A 19 -5.763 -5.610 0.149 1.00 0.00 N ATOM 135 CA LEU A 19 -6.142 -4.498 1.004 1.00 0.00 C ATOM 136 C LEU A 19 -5.070 -3.408 0.922 1.00 0.00 C ATOM 137 O LEU A 19 -5.388 -2.229 0.786 1.00 0.00 O ATOM 138 CB LEU A 19 -6.414 -4.985 2.428 1.00 0.00 C ATOM 139 CG LEU A 19 -7.566 -4.197 3.054 1.00 0.00 C ATOM 140 CD1 LEU A 19 -7.984 -4.806 4.393 1.00 0.00 C ATOM 141 CD2 LEU A 19 -7.208 -2.715 3.185 1.00 0.00 C ATOM 0 H LEU A 19 -5.595 -6.488 0.640 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.076 -4.055 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.657 -6.047 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.516 -4.871 3.035 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.427 -4.263 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.804 -4.226 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.308 -5.835 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.138 -4.791 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.044 -2.177 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.327 -2.608 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.998 -2.303 2.198 1.00 0.00 H new ATOM 142 N MET A 20 -3.821 -3.845 1.009 1.00 0.00 N ATOM 143 CA MET A 20 -2.700 -2.922 0.947 1.00 0.00 C ATOM 144 C MET A 20 -2.645 -2.218 -0.410 1.00 0.00 C ATOM 145 O MET A 20 -2.285 -1.045 -0.491 1.00 0.00 O ATOM 146 CB MET A 20 -1.395 -3.687 1.179 1.00 0.00 C ATOM 147 CG MET A 20 -0.198 -2.736 1.194 1.00 0.00 C ATOM 148 SD MET A 20 0.573 -2.700 -0.416 1.00 0.00 S ATOM 149 CE MET A 20 1.584 -4.167 -0.308 1.00 0.00 C ATOM 0 H MET A 20 -3.561 -4.825 1.122 1.00 0.00 H new ATOM 0 HA MET A 20 -2.831 -2.167 1.722 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.448 -4.225 2.125 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.262 -4.433 0.395 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.523 -1.734 1.473 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.524 -3.058 1.945 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.634 -3.894 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.429 -4.646 0.659 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.308 -4.859 -1.104 1.00 0.00 H new ATOM 150 N GLY A 21 -3.006 -2.965 -1.445 1.00 0.00 N ATOM 151 CA GLY A 21 -3.001 -2.427 -2.794 1.00 0.00 C ATOM 152 C GLY A 21 -4.032 -1.306 -2.941 1.00 0.00 C ATOM 153 O GLY A 21 -3.708 -0.220 -3.417 1.00 0.00 O ATOM 0 H GLY A 21 -3.304 -3.938 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.008 -2.047 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.219 -3.222 -3.507 1.00 0.00 H new ATOM 154 N LEU A 22 -5.252 -1.607 -2.521 1.00 0.00 N ATOM 155 CA LEU A 22 -6.331 -0.640 -2.601 1.00 0.00 C ATOM 156 C LEU A 22 -6.005 0.556 -1.703 1.00 0.00 C ATOM 157 O LEU A 22 -6.286 1.699 -2.058 1.00 0.00 O ATOM 158 CB LEU A 22 -7.671 -1.303 -2.276 1.00 0.00 C ATOM 159 CG LEU A 22 -8.367 -1.761 -3.560 1.00 0.00 C ATOM 160 CD1 LEU A 22 -7.585 -2.890 -4.234 1.00 0.00 C ATOM 161 CD2 LEU A 22 -9.821 -2.154 -3.286 1.00 0.00 C ATOM 0 H LEU A 22 -5.516 -2.509 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.427 -0.261 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.511 -2.157 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.310 -0.602 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.386 -0.922 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.101 -3.197 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.584 -2.540 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.512 -3.739 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.292 -2.475 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.847 -2.970 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.360 -1.296 -2.884 1.00 0.00 H new ATOM 162 N GLY A 23 -5.416 0.251 -0.556 1.00 0.00 N ATOM 163 CA GLY A 23 -5.049 1.285 0.395 1.00 0.00 C ATOM 164 C GLY A 23 -3.980 2.213 -0.188 1.00 0.00 C ATOM 165 O GLY A 23 -3.999 3.418 0.055 1.00 0.00 O ATOM 0 H GLY A 23 -5.184 -0.698 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.931 1.865 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.677 0.826 1.311 1.00 0.00 H new ATOM 166 N THR A 24 -3.073 1.613 -0.947 1.00 0.00 N ATOM 167 CA THR A 24 -2.000 2.370 -1.567 1.00 0.00 C ATOM 168 C THR A 24 -2.555 3.286 -2.660 1.00 0.00 C ATOM 169 O THR A 24 -2.156 4.444 -2.766 1.00 0.00 O ATOM 170 CB THR A 24 -0.955 1.377 -2.079 1.00 0.00 C ATOM 171 OG1 THR A 24 -0.425 0.788 -0.894 1.00 0.00 O ATOM 172 CG2 THR A 24 0.249 2.068 -2.720 1.00 0.00 C ATOM 0 H THR A 24 -3.060 0.613 -1.146 1.00 0.00 H new ATOM 0 HA THR A 24 -1.516 3.031 -0.848 1.00 0.00 H new ATOM 0 HB THR A 24 -1.418 0.708 -2.805 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.006 0.054 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.959 1.316 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.084 2.669 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.732 2.713 -1.986 1.00 0.00 H new ATOM 173 N LEU A 25 -3.463 2.730 -3.447 1.00 0.00 N ATOM 174 CA LEU A 25 -4.077 3.481 -4.530 1.00 0.00 C ATOM 175 C LEU A 25 -4.861 4.660 -3.947 1.00 0.00 C ATOM 176 O LEU A 25 -4.807 5.768 -4.474 1.00 0.00 O ATOM 177 CB LEU A 25 -4.920 2.559 -5.412 1.00 0.00 C ATOM 178 CG LEU A 25 -4.022 1.626 -6.225 1.00 0.00 C ATOM 179 CD1 LEU A 25 -4.746 0.321 -6.561 1.00 0.00 C ATOM 180 CD2 LEU A 25 -3.492 2.328 -7.478 1.00 0.00 C ATOM 0 H LEU A 25 -3.789 1.768 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.312 3.898 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.597 1.972 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.538 3.154 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.159 1.365 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.084 -0.324 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.030 -0.185 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.640 0.541 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.856 1.642 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.329 2.638 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.912 3.204 -7.187 1.00 0.00 H new ATOM 181 N TYR A 26 -5.570 4.377 -2.863 1.00 0.00 N ATOM 182 CA TYR A 26 -6.365 5.400 -2.203 1.00 0.00 C ATOM 183 C TYR A 26 -5.474 6.515 -1.652 1.00 0.00 C ATOM 184 O TYR A 26 -5.829 7.690 -1.721 1.00 0.00 O ATOM 185 CB TYR A 26 -7.065 4.700 -1.036 1.00 0.00 C ATOM 186 CG TYR A 26 -8.162 5.539 -0.377 1.00 0.00 C ATOM 187 CD1 TYR A 26 -9.334 5.910 -1.127 1.00 0.00 C ATOM 188 CD2 TYR A 26 -8.030 5.934 0.918 1.00 0.00 C ATOM 189 CE1 TYR A 26 -10.309 6.655 -0.540 1.00 0.00 C ATOM 190 CE2 TYR A 26 -9.063 6.723 1.539 1.00 0.00 C ATOM 191 CZ TYR A 26 -10.169 7.073 0.830 1.00 0.00 C ATOM 192 OH TYR A 26 -11.144 7.818 1.415 1.00 0.00 O ATOM 0 H TYR A 26 -5.611 3.456 -2.426 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.068 5.852 -2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.500 3.767 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.321 4.437 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.439 5.597 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.151 5.656 1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.188 6.933 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.959 7.036 2.567 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.894 8.014 2.342 1.00 0.00 H new ATOM 193 N PHE A 27 -4.332 6.106 -1.115 1.00 0.00 N ATOM 194 CA PHE A 27 -3.388 7.056 -0.552 1.00 0.00 C ATOM 195 C PHE A 27 -2.734 7.897 -1.652 1.00 0.00 C ATOM 196 O PHE A 27 -2.386 9.055 -1.428 1.00 0.00 O ATOM 197 CB PHE A 27 -2.307 6.243 0.161 1.00 0.00 C ATOM 198 CG PHE A 27 -1.218 7.094 0.817 1.00 0.00 C ATOM 199 CD1 PHE A 27 -1.553 7.983 1.873 1.00 0.00 C ATOM 200 CD2 PHE A 27 0.069 7.000 0.390 1.00 0.00 C ATOM 201 CE1 PHE A 27 -0.585 8.740 2.458 1.00 0.00 C ATOM 202 CE2 PHE A 27 1.079 7.790 1.000 1.00 0.00 C ATOM 203 CZ PHE A 27 0.759 8.641 2.010 1.00 0.00 C ATOM 0 H PHE A 27 -4.040 5.130 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.903 7.733 0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.778 5.623 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.842 5.567 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.576 8.058 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.323 6.324 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.839 9.415 3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.102 7.715 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.528 9.243 2.472 1.00 0.00 H new ATOM 204 N LEU A 28 -2.586 7.279 -2.815 1.00 0.00 N ATOM 205 CA LEU A 28 -1.982 7.957 -3.949 1.00 0.00 C ATOM 206 C LEU A 28 -2.966 8.986 -4.509 1.00 0.00 C ATOM 207 O LEU A 28 -2.563 10.062 -4.945 1.00 0.00 O ATOM 208 CB LEU A 28 -1.500 6.939 -4.986 1.00 0.00 C ATOM 209 CG LEU A 28 0.023 6.810 -4.942 1.00 0.00 C ATOM 210 CD1 LEU A 28 0.481 6.128 -3.651 1.00 0.00 C ATOM 211 CD2 LEU A 28 0.549 6.094 -6.188 1.00 0.00 C ATOM 0 H LEU A 28 -2.874 6.317 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.094 8.505 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.959 5.969 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.816 7.248 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 28 0.450 7.813 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.568 6.050 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.156 6.717 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.045 5.131 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.635 6.015 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.115 5.096 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.272 6.660 -7.077 1.00 0.00 H new ATOM 212 N VAL A 29 -4.238 8.616 -4.478 1.00 0.00 N ATOM 213 CA VAL A 29 -5.284 9.493 -4.977 1.00 0.00 C ATOM 214 C VAL A 29 -5.342 10.755 -4.114 1.00 0.00 C ATOM 215 O VAL A 29 -5.469 11.862 -4.633 1.00 0.00 O ATOM 216 CB VAL A 29 -6.616 8.743 -5.029 1.00 0.00 C ATOM 217 CG1 VAL A 29 -7.795 9.719 -5.049 1.00 0.00 C ATOM 218 CG2 VAL A 29 -6.666 7.794 -6.230 1.00 0.00 C ATOM 0 H VAL A 29 -4.568 7.722 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.063 9.807 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.697 8.140 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.730 9.160 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.775 10.333 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.721 10.361 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.624 7.274 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.551 8.366 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.858 7.066 -6.152 1.00 0.00 H new ATOM 219 N LYS A 30 -5.245 10.544 -2.809 1.00 0.00 N ATOM 220 CA LYS A 30 -5.285 11.650 -1.867 1.00 0.00 C ATOM 221 C LYS A 30 -3.987 12.455 -1.979 1.00 0.00 C ATOM 222 O LYS A 30 -4.007 13.682 -1.906 1.00 0.00 O ATOM 223 CB LYS A 30 -5.572 11.142 -0.454 1.00 0.00 C ATOM 224 CG LYS A 30 -7.047 10.768 -0.295 1.00 0.00 C ATOM 225 CD LYS A 30 -7.354 10.346 1.144 1.00 0.00 C ATOM 226 CE LYS A 30 -8.862 10.222 1.369 1.00 0.00 C ATOM 227 NZ LYS A 30 -9.460 11.554 1.616 1.00 0.00 N ATOM 0 H LYS A 30 -5.139 9.624 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.104 12.327 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.948 10.274 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.307 11.910 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.673 11.617 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.295 9.955 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.871 9.392 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.938 11.077 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.329 9.763 0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.056 9.566 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.484 11.452 1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.026 11.978 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.290 12.168 0.794 1.00 0.00 H new ATOM 228 N GLY A 31 -2.891 11.731 -2.151 1.00 0.00 N ATOM 229 CA GLY A 31 -1.589 12.362 -2.272 1.00 0.00 C ATOM 230 C GLY A 31 -1.548 13.310 -3.472 1.00 0.00 C ATOM 231 O GLY A 31 -1.015 14.414 -3.378 1.00 0.00 O ATOM 0 H GLY A 31 -2.878 10.713 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.363 12.914 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.819 11.598 -2.381 1.00 0.00 H new ATOM 232 N MET A 32 -2.120 12.845 -4.574 1.00 0.00 N ATOM 233 CA MET A 32 -2.156 13.637 -5.792 1.00 0.00 C ATOM 234 C MET A 32 -3.185 14.764 -5.681 1.00 0.00 C ATOM 235 O MET A 32 -2.940 15.879 -6.137 1.00 0.00 O ATOM 236 CB MET A 32 -2.509 12.737 -6.977 1.00 0.00 C ATOM 237 CG MET A 32 -2.398 13.501 -8.297 1.00 0.00 C ATOM 238 SD MET A 32 -2.453 12.360 -9.669 1.00 0.00 S ATOM 239 CE MET A 32 -4.216 12.108 -9.792 1.00 0.00 C ATOM 0 H MET A 32 -2.562 11.929 -4.648 1.00 0.00 H new ATOM 0 HA MET A 32 -1.172 14.081 -5.944 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.843 11.875 -6.995 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.523 12.354 -6.858 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.212 14.221 -8.379 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.467 14.068 -8.322 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.429 11.415 -10.606 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.590 11.693 -8.856 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.707 13.061 -9.989 1.00 0.00 H new ATOM 240 N GLY A 33 -4.314 14.433 -5.073 1.00 0.00 N ATOM 241 CA GLY A 33 -5.382 15.403 -4.897 1.00 0.00 C ATOM 242 C GLY A 33 -6.750 14.767 -5.160 1.00 0.00 C ATOM 243 O GLY A 33 -7.593 14.710 -4.266 1.00 0.00 O ATOM 0 H GLY A 33 -4.513 13.506 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.352 15.803 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.231 16.243 -5.575 1.00 0.00 H new ATOM 244 N VAL A 34 -6.926 14.305 -6.389 1.00 0.00 N ATOM 245 CA VAL A 34 -8.175 13.675 -6.779 1.00 0.00 C ATOM 246 C VAL A 34 -7.917 12.716 -7.944 1.00 0.00 C ATOM 247 O VAL A 34 -7.038 12.960 -8.769 1.00 0.00 O ATOM 248 CB VAL A 34 -9.219 14.745 -7.107 1.00 0.00 C ATOM 249 CG1 VAL A 34 -8.788 15.579 -8.315 1.00 0.00 C ATOM 250 CG2 VAL A 34 -10.596 14.115 -7.335 1.00 0.00 C ATOM 0 H VAL A 34 -6.224 14.355 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.578 13.085 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.295 15.414 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.547 16.332 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.840 16.071 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.669 14.929 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.320 14.896 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.542 13.413 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.908 13.587 -6.434 1.00 0.00 H new ATOM 251 N PRO A 37 12.453 21.057 3.646 1.00 0.00 N ATOM 252 CA PRO A 37 11.755 20.503 4.794 1.00 0.00 C ATOM 253 C PRO A 37 11.677 18.978 4.705 1.00 0.00 C ATOM 254 O PRO A 37 11.501 18.302 5.717 1.00 0.00 O ATOM 255 CB PRO A 37 10.388 21.170 4.781 1.00 0.00 C ATOM 256 CG PRO A 37 10.205 21.715 3.375 1.00 0.00 C ATOM 257 CD PRO A 37 11.556 21.689 2.682 1.00 0.00 C ATOM 0 HA PRO A 37 12.270 20.698 5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.602 20.456 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.336 21.970 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.482 21.113 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.813 22.732 3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.513 21.124 1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.891 22.695 2.429 1.00 0.00 H new ATOM 258 N ASP A 38 11.809 18.481 3.484 1.00 0.00 N ATOM 259 CA ASP A 38 11.755 17.048 3.249 1.00 0.00 C ATOM 260 C ASP A 38 10.377 16.520 3.655 1.00 0.00 C ATOM 261 O ASP A 38 10.241 15.359 4.034 1.00 0.00 O ATOM 262 CB ASP A 38 12.807 16.314 4.084 1.00 0.00 C ATOM 263 CG ASP A 38 13.259 14.968 3.515 1.00 0.00 C ATOM 264 OD1 ASP A 38 12.662 13.920 3.804 1.00 0.00 O ATOM 265 OD2 ASP A 38 14.233 14.892 2.751 1.00 0.00 O ATOM 0 H ASP A 38 11.953 19.045 2.647 1.00 0.00 H new ATOM 0 HA ASP A 38 11.946 16.872 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.680 16.958 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.407 16.153 5.085 1.00 0.00 H new ATOM 266 N ALA A 39 9.392 17.401 3.561 1.00 0.00 N ATOM 267 CA ALA A 39 8.029 17.039 3.913 1.00 0.00 C ATOM 268 C ALA A 39 7.381 16.306 2.737 1.00 0.00 C ATOM 269 O ALA A 39 6.556 15.415 2.934 1.00 0.00 O ATOM 270 CB ALA A 39 7.254 18.296 4.314 1.00 0.00 C ATOM 0 H ALA A 39 9.510 18.364 3.246 1.00 0.00 H new ATOM 0 HA ALA A 39 8.020 16.364 4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.232 18.025 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.738 18.764 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.239 18.996 3.479 1.00 0.00 H new ATOM 271 N LYS A 40 7.779 16.707 1.539 1.00 0.00 N ATOM 272 CA LYS A 40 7.247 16.100 0.330 1.00 0.00 C ATOM 273 C LYS A 40 7.737 14.653 0.234 1.00 0.00 C ATOM 274 O LYS A 40 7.033 13.789 -0.285 1.00 0.00 O ATOM 275 CB LYS A 40 7.593 16.949 -0.894 1.00 0.00 C ATOM 276 CG LYS A 40 6.893 18.308 -0.835 1.00 0.00 C ATOM 277 CD LYS A 40 7.202 19.139 -2.081 1.00 0.00 C ATOM 278 CE LYS A 40 8.608 19.739 -2.004 1.00 0.00 C ATOM 279 NZ LYS A 40 8.848 20.642 -3.152 1.00 0.00 N ATOM 0 H LYS A 40 8.464 17.445 1.379 1.00 0.00 H new ATOM 0 HA LYS A 40 6.158 16.067 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.672 17.094 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.297 16.423 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.816 18.163 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.214 18.848 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.118 18.514 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.467 19.937 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.725 20.289 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.351 18.941 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.806 21.041 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.757 20.107 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.150 21.413 -3.139 1.00 0.00 H new ATOM 280 N LYS A 41 8.942 14.436 0.740 1.00 0.00 N ATOM 281 CA LYS A 41 9.534 13.110 0.717 1.00 0.00 C ATOM 282 C LYS A 41 8.809 12.213 1.723 1.00 0.00 C ATOM 283 O LYS A 41 8.479 11.070 1.415 1.00 0.00 O ATOM 284 CB LYS A 41 11.045 13.194 0.949 1.00 0.00 C ATOM 285 CG LYS A 41 11.781 13.522 -0.352 1.00 0.00 C ATOM 286 CD LYS A 41 11.450 14.939 -0.826 1.00 0.00 C ATOM 287 CE LYS A 41 12.402 15.380 -1.941 1.00 0.00 C ATOM 288 NZ LYS A 41 12.047 16.735 -2.419 1.00 0.00 N ATOM 0 H LYS A 41 9.524 15.156 1.168 1.00 0.00 H new ATOM 0 HA LYS A 41 9.408 12.655 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.260 13.958 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.409 12.247 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.856 13.427 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.504 12.803 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.422 14.975 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.520 15.632 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.428 15.375 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.355 14.672 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.702 17.019 -3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.075 16.729 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.114 17.410 -1.631 1.00 0.00 H new ATOM 289 N PHE A 42 8.581 12.768 2.905 1.00 0.00 N ATOM 290 CA PHE A 42 7.900 12.033 3.957 1.00 0.00 C ATOM 291 C PHE A 42 6.488 11.637 3.523 1.00 0.00 C ATOM 292 O PHE A 42 6.032 10.532 3.815 1.00 0.00 O ATOM 293 CB PHE A 42 7.805 12.967 5.165 1.00 0.00 C ATOM 294 CG PHE A 42 9.023 12.911 6.091 1.00 0.00 C ATOM 295 CD1 PHE A 42 10.313 12.654 5.554 1.00 0.00 C ATOM 296 CD2 PHE A 42 8.870 13.111 7.427 1.00 0.00 C ATOM 297 CE1 PHE A 42 11.394 12.605 6.377 1.00 0.00 C ATOM 298 CE2 PHE A 42 10.000 13.060 8.286 1.00 0.00 C ATOM 299 CZ PHE A 42 11.235 12.812 7.773 1.00 0.00 C ATOM 0 H PHE A 42 8.856 13.717 3.157 1.00 0.00 H new ATOM 0 HA PHE A 42 8.450 11.121 4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.677 13.990 4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.913 12.714 5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.435 12.498 4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.890 13.309 7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.374 12.409 5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.878 13.218 9.347 1.00 0.00 H new ATOM 0 HZ PHE A 42 12.094 12.773 8.427 1.00 0.00 H new ATOM 300 N TYR A 43 5.834 12.559 2.833 1.00 0.00 N ATOM 301 CA TYR A 43 4.483 12.319 2.357 1.00 0.00 C ATOM 302 C TYR A 43 4.469 11.255 1.258 1.00 0.00 C ATOM 303 O TYR A 43 3.583 10.403 1.224 1.00 0.00 O ATOM 304 CB TYR A 43 4.001 13.647 1.768 1.00 0.00 C ATOM 305 CG TYR A 43 3.344 14.579 2.789 1.00 0.00 C ATOM 306 CD1 TYR A 43 3.871 14.699 4.038 1.00 0.00 C ATOM 307 CD2 TYR A 43 2.169 15.328 2.429 1.00 0.00 C ATOM 308 CE1 TYR A 43 3.254 15.575 4.998 1.00 0.00 C ATOM 309 CE2 TYR A 43 1.585 16.156 3.336 1.00 0.00 C ATOM 310 CZ TYR A 43 2.142 16.282 4.658 1.00 0.00 C ATOM 311 OH TYR A 43 1.560 17.110 5.567 1.00 0.00 O ATOM 0 H TYR A 43 6.215 13.474 2.592 1.00 0.00 H new ATOM 0 HA TYR A 43 3.848 11.966 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.849 14.161 1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.289 13.441 0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.752 14.137 4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.751 15.232 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.673 15.672 5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.704 16.719 3.065 1.00 0.00 H new ATOM 0 HH TYR A 43 0.777 17.540 5.164 1.00 0.00 H new ATOM 312 N ALA A 44 5.464 11.338 0.385 1.00 0.00 N ATOM 313 CA ALA A 44 5.578 10.392 -0.712 1.00 0.00 C ATOM 314 C ALA A 44 5.781 8.985 -0.148 1.00 0.00 C ATOM 315 O ALA A 44 5.141 8.035 -0.595 1.00 0.00 O ATOM 316 CB ALA A 44 6.719 10.819 -1.637 1.00 0.00 C ATOM 0 H ALA A 44 6.198 12.046 0.416 1.00 0.00 H new ATOM 0 HA ALA A 44 4.664 10.380 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.805 10.110 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.513 11.813 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.654 10.839 -1.076 1.00 0.00 H new ATOM 317 N ILE A 45 6.675 8.897 0.827 1.00 0.00 N ATOM 318 CA ILE A 45 6.970 7.621 1.457 1.00 0.00 C ATOM 319 C ILE A 45 5.707 7.089 2.138 1.00 0.00 C ATOM 320 O ILE A 45 5.412 5.897 2.063 1.00 0.00 O ATOM 321 CB ILE A 45 8.167 7.755 2.400 1.00 0.00 C ATOM 322 CG1 ILE A 45 9.460 7.993 1.617 1.00 0.00 C ATOM 323 CG2 ILE A 45 8.273 6.541 3.326 1.00 0.00 C ATOM 324 CD1 ILE A 45 10.512 8.676 2.492 1.00 0.00 C ATOM 0 H ILE A 45 7.204 9.688 1.195 1.00 0.00 H new ATOM 0 HA ILE A 45 7.263 6.885 0.709 1.00 0.00 H new ATOM 0 HB ILE A 45 8.008 8.630 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.848 7.042 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.252 8.610 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.132 6.661 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.365 6.459 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.398 5.638 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.421 8.834 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.130 9.637 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.735 8.045 3.352 1.00 0.00 H new ATOM 325 N THR A 46 4.995 7.998 2.787 1.00 0.00 N ATOM 326 CA THR A 46 3.771 7.635 3.481 1.00 0.00 C ATOM 327 C THR A 46 2.704 7.189 2.479 1.00 0.00 C ATOM 328 O THR A 46 1.804 6.425 2.827 1.00 0.00 O ATOM 329 CB THR A 46 3.341 8.829 4.337 1.00 0.00 C ATOM 330 OG1 THR A 46 4.418 9.004 5.254 1.00 0.00 O ATOM 331 CG2 THR A 46 2.140 8.508 5.226 1.00 0.00 C ATOM 0 H THR A 46 5.242 8.986 2.847 1.00 0.00 H new ATOM 0 HA THR A 46 3.928 6.783 4.142 1.00 0.00 H new ATOM 0 HB THR A 46 3.097 9.672 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.110 9.564 4.843 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.876 9.388 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.293 8.219 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.393 7.688 5.897 1.00 0.00 H new ATOM 332 N THR A 47 2.838 7.685 1.258 1.00 0.00 N ATOM 333 CA THR A 47 1.896 7.346 0.206 1.00 0.00 C ATOM 334 C THR A 47 2.339 6.072 -0.517 1.00 0.00 C ATOM 335 O THR A 47 1.552 5.453 -1.230 1.00 0.00 O ATOM 336 CB THR A 47 1.768 8.557 -0.721 1.00 0.00 C ATOM 337 OG1 THR A 47 1.302 9.599 0.133 1.00 0.00 O ATOM 338 CG2 THR A 47 0.648 8.390 -1.751 1.00 0.00 C ATOM 0 H THR A 47 3.585 8.319 0.974 1.00 0.00 H new ATOM 0 HA THR A 47 0.910 7.124 0.614 1.00 0.00 H new ATOM 0 HB THR A 47 2.714 8.721 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.963 9.765 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.600 9.277 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.849 7.515 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.304 8.260 -1.236 1.00 0.00 H new ATOM 339 N LEU A 48 3.601 5.721 -0.309 1.00 0.00 N ATOM 340 CA LEU A 48 4.158 4.531 -0.931 1.00 0.00 C ATOM 341 C LEU A 48 4.245 3.411 0.106 1.00 0.00 C ATOM 342 O LEU A 48 4.794 2.345 -0.170 1.00 0.00 O ATOM 343 CB LEU A 48 5.494 4.854 -1.601 1.00 0.00 C ATOM 344 CG LEU A 48 5.302 5.077 -3.103 1.00 0.00 C ATOM 345 CD1 LEU A 48 4.546 6.380 -3.370 1.00 0.00 C ATOM 346 CD2 LEU A 48 6.641 5.027 -3.841 1.00 0.00 C ATOM 0 H LEU A 48 4.252 6.239 0.281 1.00 0.00 H new ATOM 0 HA LEU A 48 3.505 4.176 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.928 5.745 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.197 4.037 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 48 4.690 4.264 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.422 6.515 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.566 6.336 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.110 7.218 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.476 5.188 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.299 5.805 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.104 4.052 -3.689 1.00 0.00 H new ATOM 347 N VAL A 49 3.697 3.690 1.279 1.00 0.00 N ATOM 348 CA VAL A 49 3.705 2.718 2.361 1.00 0.00 C ATOM 349 C VAL A 49 2.940 1.468 1.923 1.00 0.00 C ATOM 350 O VAL A 49 3.431 0.350 2.074 1.00 0.00 O ATOM 351 CB VAL A 49 3.143 3.348 3.635 1.00 0.00 C ATOM 352 CG1 VAL A 49 2.279 2.348 4.407 1.00 0.00 C ATOM 353 CG2 VAL A 49 4.266 3.897 4.518 1.00 0.00 C ATOM 0 H VAL A 49 3.244 4.576 1.505 1.00 0.00 H new ATOM 0 HA VAL A 49 4.725 2.410 2.591 1.00 0.00 H new ATOM 0 HB VAL A 49 2.508 4.184 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.892 2.822 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.447 2.026 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.882 1.483 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.838 4.340 5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.939 3.086 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.822 4.657 3.969 1.00 0.00 H new ATOM 354 N PRO A 50 1.717 1.705 1.376 1.00 0.00 N ATOM 355 CA PRO A 50 0.879 0.612 0.916 1.00 0.00 C ATOM 356 C PRO A 50 1.398 0.041 -0.406 1.00 0.00 C ATOM 357 O PRO A 50 1.018 -1.060 -0.802 1.00 0.00 O ATOM 358 CB PRO A 50 -0.515 1.207 0.798 1.00 0.00 C ATOM 359 CG PRO A 50 -0.321 2.714 0.747 1.00 0.00 C ATOM 360 CD PRO A 50 1.104 3.016 1.181 1.00 0.00 C ATOM 0 HA PRO A 50 0.880 -0.235 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.019 0.847 -0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.135 0.921 1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.500 3.088 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.034 3.213 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.635 3.593 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.122 3.603 2.100 1.00 0.00 H new ATOM 361 N ALA A 51 2.257 0.816 -1.050 1.00 0.00 N ATOM 362 CA ALA A 51 2.832 0.400 -2.319 1.00 0.00 C ATOM 363 C ALA A 51 3.868 -0.698 -2.069 1.00 0.00 C ATOM 364 O ALA A 51 3.848 -1.736 -2.728 1.00 0.00 O ATOM 365 CB ALA A 51 3.430 1.615 -3.030 1.00 0.00 C ATOM 0 H ALA A 51 2.569 1.729 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 51 2.064 -0.015 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.861 1.304 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.648 2.353 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.208 2.056 -2.406 1.00 0.00 H new ATOM 366 N ILE A 52 4.750 -0.429 -1.117 1.00 0.00 N ATOM 367 CA ILE A 52 5.792 -1.382 -0.772 1.00 0.00 C ATOM 368 C ILE A 52 5.169 -2.565 -0.030 1.00 0.00 C ATOM 369 O ILE A 52 5.679 -3.683 -0.099 1.00 0.00 O ATOM 370 CB ILE A 52 6.913 -0.691 0.004 1.00 0.00 C ATOM 371 CG1 ILE A 52 6.417 -0.205 1.369 1.00 0.00 C ATOM 372 CG2 ILE A 52 7.533 0.441 -0.817 1.00 0.00 C ATOM 373 CD1 ILE A 52 7.587 0.218 2.259 1.00 0.00 C ATOM 0 H ILE A 52 4.765 0.434 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 52 6.258 -1.780 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 52 7.700 -1.422 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.736 0.635 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.852 -0.998 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.328 0.915 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.946 0.036 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.767 1.179 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.207 0.559 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.253 -0.631 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.136 1.028 1.778 1.00 0.00 H new ATOM 374 N ALA A 53 4.076 -2.281 0.661 1.00 0.00 N ATOM 375 CA ALA A 53 3.379 -3.309 1.416 1.00 0.00 C ATOM 376 C ALA A 53 2.747 -4.308 0.445 1.00 0.00 C ATOM 377 O ALA A 53 2.851 -5.517 0.638 1.00 0.00 O ATOM 378 CB ALA A 53 2.345 -2.655 2.334 1.00 0.00 C ATOM 0 H ALA A 53 3.655 -1.353 0.714 1.00 0.00 H new ATOM 0 HA ALA A 53 4.075 -3.859 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.822 -3.426 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.848 -1.976 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.627 -2.096 1.734 1.00 0.00 H new ATOM 379 N PHE A 54 2.106 -3.763 -0.580 1.00 0.00 N ATOM 380 CA PHE A 54 1.455 -4.591 -1.580 1.00 0.00 C ATOM 381 C PHE A 54 2.486 -5.381 -2.391 1.00 0.00 C ATOM 382 O PHE A 54 2.256 -6.538 -2.737 1.00 0.00 O ATOM 383 CB PHE A 54 0.700 -3.650 -2.519 1.00 0.00 C ATOM 384 CG PHE A 54 -0.171 -4.366 -3.552 1.00 0.00 C ATOM 385 CD1 PHE A 54 -1.177 -5.185 -3.143 1.00 0.00 C ATOM 386 CD2 PHE A 54 0.071 -4.177 -4.939 1.00 0.00 C ATOM 387 CE1 PHE A 54 -1.986 -5.850 -4.102 1.00 0.00 C ATOM 388 CE2 PHE A 54 -0.704 -4.814 -5.857 1.00 0.00 C ATOM 389 CZ PHE A 54 -1.754 -5.669 -5.430 1.00 0.00 C ATOM 0 HA PHE A 54 0.787 -5.303 -1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.070 -2.989 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.420 -3.020 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.361 -5.330 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.870 -3.528 -5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.785 -6.499 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.521 -4.669 -6.911 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.368 -6.176 -6.160 1.00 0.00 H new ATOM 390 N THR A 55 3.602 -4.722 -2.672 1.00 0.00 N ATOM 391 CA THR A 55 4.669 -5.347 -3.434 1.00 0.00 C ATOM 392 C THR A 55 5.315 -6.473 -2.625 1.00 0.00 C ATOM 393 O THR A 55 5.656 -7.521 -3.172 1.00 0.00 O ATOM 394 CB THR A 55 5.655 -4.255 -3.851 1.00 0.00 C ATOM 395 OG1 THR A 55 4.858 -3.333 -4.591 1.00 0.00 O ATOM 396 CG2 THR A 55 6.686 -4.754 -4.865 1.00 0.00 C ATOM 0 H THR A 55 3.789 -3.761 -2.385 1.00 0.00 H new ATOM 0 HA THR A 55 4.284 -5.819 -4.338 1.00 0.00 H new ATOM 0 HB THR A 55 6.169 -3.873 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.635 -2.565 -4.024 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.362 -3.940 -5.128 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.257 -5.574 -4.429 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.175 -5.104 -5.761 1.00 0.00 H new ATOM 397 N MET A 56 5.464 -6.219 -1.332 1.00 0.00 N ATOM 398 CA MET A 56 6.063 -7.197 -0.441 1.00 0.00 C ATOM 399 C MET A 56 5.162 -8.424 -0.289 1.00 0.00 C ATOM 400 O MET A 56 5.647 -9.555 -0.265 1.00 0.00 O ATOM 401 CB MET A 56 6.299 -6.562 0.931 1.00 0.00 C ATOM 402 CG MET A 56 6.990 -7.545 1.878 1.00 0.00 C ATOM 403 SD MET A 56 7.395 -6.729 3.414 1.00 0.00 S ATOM 404 CE MET A 56 8.968 -6.007 2.975 1.00 0.00 C ATOM 0 H MET A 56 5.180 -5.349 -0.881 1.00 0.00 H new ATOM 0 HA MET A 56 7.012 -7.518 -0.870 1.00 0.00 H new ATOM 0 HB2 MET A 56 6.911 -5.666 0.821 1.00 0.00 H new ATOM 0 HB3 MET A 56 5.347 -6.247 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 56 6.338 -8.397 2.070 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.896 -7.935 1.414 1.00 0.00 H new ATOM 0 HE1 MET A 56 9.366 -5.456 3.827 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.665 -6.797 2.695 1.00 0.00 H new ATOM 0 HE3 MET A 56 8.834 -5.327 2.134 1.00 0.00 H new ATOM 405 N TYR A 57 3.867 -8.160 -0.189 1.00 0.00 N ATOM 406 CA TYR A 57 2.894 -9.229 -0.037 1.00 0.00 C ATOM 407 C TYR A 57 2.920 -10.167 -1.245 1.00 0.00 C ATOM 408 O TYR A 57 2.856 -11.385 -1.091 1.00 0.00 O ATOM 409 CB TYR A 57 1.527 -8.546 0.034 1.00 0.00 C ATOM 410 CG TYR A 57 0.347 -9.520 0.051 1.00 0.00 C ATOM 411 CD1 TYR A 57 0.145 -10.324 1.128 1.00 0.00 C ATOM 412 CD2 TYR A 57 -0.550 -9.582 -1.074 1.00 0.00 C ATOM 413 CE1 TYR A 57 -0.966 -11.240 1.144 1.00 0.00 C ATOM 414 CE2 TYR A 57 -1.600 -10.448 -1.060 1.00 0.00 C ATOM 415 CZ TYR A 57 -1.814 -11.300 0.081 1.00 0.00 C ATOM 416 OH TYR A 57 -2.863 -12.165 0.097 1.00 0.00 O ATOM 0 H TYR A 57 3.469 -7.221 -0.210 1.00 0.00 H new ATOM 0 HA TYR A 57 3.111 -9.824 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.487 -7.927 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.421 -7.877 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.818 -10.276 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.390 -8.941 -1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.126 -11.879 1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.272 -10.496 -1.904 1.00 0.00 H new ATOM 417 N LEU A 58 3.014 -9.563 -2.422 1.00 0.00 N ATOM 418 CA LEU A 58 3.049 -10.330 -3.656 1.00 0.00 C ATOM 419 C LEU A 58 4.361 -11.114 -3.727 1.00 0.00 C ATOM 420 O LEU A 58 4.387 -12.244 -4.212 1.00 0.00 O ATOM 421 CB LEU A 58 2.813 -9.417 -4.861 1.00 0.00 C ATOM 422 CG LEU A 58 1.367 -8.918 -4.880 1.00 0.00 C ATOM 423 CD1 LEU A 58 1.227 -7.674 -5.760 1.00 0.00 C ATOM 424 CD2 LEU A 58 0.408 -10.033 -5.304 1.00 0.00 C ATOM 0 H LEU A 58 3.067 -8.552 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 58 2.239 -11.060 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.496 -8.569 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.029 -9.958 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 58 1.093 -8.626 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.189 -7.340 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.865 -6.880 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.527 -7.914 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.613 -9.652 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.671 -10.379 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.482 -10.863 -4.602 1.00 0.00 H new ATOM 425 N SER A 59 5.419 -10.483 -3.238 1.00 0.00 N ATOM 426 CA SER A 59 6.730 -11.107 -3.240 1.00 0.00 C ATOM 427 C SER A 59 6.736 -12.317 -2.303 1.00 0.00 C ATOM 428 O SER A 59 7.370 -13.330 -2.595 1.00 0.00 O ATOM 429 CB SER A 59 7.816 -10.111 -2.825 1.00 0.00 C ATOM 430 OG SER A 59 7.856 -8.977 -3.689 1.00 0.00 O ATOM 0 H SER A 59 5.394 -9.545 -2.838 1.00 0.00 H new ATOM 0 HA SER A 59 6.948 -11.439 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.635 -9.782 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.786 -10.608 -2.833 1.00 0.00 H new ATOM 0 HG SER A 59 6.998 -8.505 -3.649 1.00 0.00 H new ATOM 431 N MET A 60 6.021 -12.172 -1.197 1.00 0.00 N ATOM 432 CA MET A 60 5.935 -13.240 -0.216 1.00 0.00 C ATOM 433 C MET A 60 5.125 -14.420 -0.759 1.00 0.00 C ATOM 434 O MET A 60 5.568 -15.566 -0.689 1.00 0.00 O ATOM 435 CB MET A 60 5.274 -12.712 1.059 1.00 0.00 C ATOM 436 CG MET A 60 6.241 -11.832 1.853 1.00 0.00 C ATOM 437 SD MET A 60 7.361 -12.853 2.798 1.00 0.00 S ATOM 438 CE MET A 60 8.352 -11.589 3.575 1.00 0.00 C ATOM 0 H MET A 60 5.496 -11.331 -0.959 1.00 0.00 H new ATOM 0 HA MET A 60 6.945 -13.586 0.004 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.383 -12.139 0.801 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.947 -13.548 1.677 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.804 -11.192 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.683 -11.175 2.521 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.108 -12.056 4.207 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.841 -10.988 2.809 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.714 -10.950 4.185 1.00 0.00 H new ATOM 439 N LEU A 61 3.954 -14.099 -1.287 1.00 0.00 N ATOM 440 CA LEU A 61 3.078 -15.118 -1.843 1.00 0.00 C ATOM 441 C LEU A 61 3.803 -15.843 -2.978 1.00 0.00 C ATOM 442 O LEU A 61 3.688 -17.060 -3.115 1.00 0.00 O ATOM 443 CB LEU A 61 1.741 -14.505 -2.261 1.00 0.00 C ATOM 444 CG LEU A 61 0.700 -14.681 -1.153 1.00 0.00 C ATOM 445 CD1 LEU A 61 0.337 -16.157 -0.973 1.00 0.00 C ATOM 446 CD2 LEU A 61 1.177 -14.044 0.154 1.00 0.00 C ATOM 0 H LEU A 61 3.590 -13.148 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 61 2.837 -15.866 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.873 -13.445 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.388 -14.978 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.209 -14.159 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.404 -16.255 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.074 -16.547 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.230 -16.722 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.419 -14.183 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.107 -14.516 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.345 -12.978 -0.001 1.00 0.00 H new ATOM 447 N LEU A 62 4.535 -15.067 -3.763 1.00 0.00 N ATOM 448 CA LEU A 62 5.278 -15.619 -4.882 1.00 0.00 C ATOM 449 C LEU A 62 6.399 -16.515 -4.352 1.00 0.00 C ATOM 450 O LEU A 62 6.672 -17.573 -4.916 1.00 0.00 O ATOM 451 CB LEU A 62 5.770 -14.502 -5.804 1.00 0.00 C ATOM 452 CG LEU A 62 6.443 -15.089 -7.046 1.00 0.00 C ATOM 453 CD1 LEU A 62 5.403 -15.558 -8.064 1.00 0.00 C ATOM 454 CD2 LEU A 62 7.435 -14.095 -7.653 1.00 0.00 C ATOM 0 H LEU A 62 4.629 -14.058 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 62 4.630 -16.245 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.932 -13.872 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.474 -13.864 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 62 7.013 -15.967 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.909 -15.971 -8.937 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.773 -16.325 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.785 -14.713 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.900 -14.537 -8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.909 -13.184 -7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.204 -13.855 -6.919 1.00 0.00 H new ATOM 455 N GLY A 63 7.017 -16.058 -3.272 1.00 0.00 N ATOM 456 CA GLY A 63 8.102 -16.805 -2.658 1.00 0.00 C ATOM 457 C GLY A 63 7.639 -18.203 -2.244 1.00 0.00 C ATOM 458 O GLY A 63 8.317 -19.192 -2.521 1.00 0.00 O ATOM 0 H GLY A 63 6.787 -15.180 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.934 -16.886 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.471 -16.267 -1.785 1.00 0.00 H new ATOM 459 N TYR A 64 6.489 -18.242 -1.589 1.00 0.00 N ATOM 460 CA TYR A 64 5.927 -19.503 -1.134 1.00 0.00 C ATOM 461 C TYR A 64 5.274 -20.260 -2.291 1.00 0.00 C ATOM 462 O TYR A 64 4.887 -19.659 -3.292 1.00 0.00 O ATOM 463 CB TYR A 64 4.854 -19.140 -0.106 1.00 0.00 C ATOM 464 CG TYR A 64 5.372 -18.306 1.067 1.00 0.00 C ATOM 465 CD1 TYR A 64 6.610 -18.661 1.710 1.00 0.00 C ATOM 466 CD2 TYR A 64 4.662 -17.232 1.503 1.00 0.00 C ATOM 467 CE1 TYR A 64 7.071 -17.919 2.753 1.00 0.00 C ATOM 468 CE2 TYR A 64 5.150 -16.447 2.608 1.00 0.00 C ATOM 469 CZ TYR A 64 6.320 -16.782 3.215 1.00 0.00 C ATOM 470 OH TYR A 64 6.780 -16.040 4.258 1.00 0.00 O ATOM 0 H TYR A 64 5.930 -17.420 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 64 6.705 -20.142 -0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.058 -18.589 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.412 -20.058 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.173 -19.516 1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.732 -16.967 1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.001 -18.183 3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.587 -15.593 2.954 1.00 0.00 H new ATOM 0 HH TYR A 64 6.988 -15.134 3.948 1.00 0.00 H new ATOM 471 N GLY A 65 5.169 -21.570 -2.116 1.00 0.00 N ATOM 472 CA GLY A 65 4.568 -22.416 -3.132 1.00 0.00 C ATOM 473 C GLY A 65 4.355 -23.837 -2.607 1.00 0.00 C ATOM 474 O GLY A 65 3.221 -24.307 -2.521 1.00 0.00 O ATOM 0 H GLY A 65 5.491 -22.066 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.613 -21.993 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.208 -22.442 -4.014 1.00 0.00 H new ATOM 475 N LEU A 66 5.462 -24.482 -2.269 1.00 0.00 N ATOM 476 CA LEU A 66 5.410 -25.840 -1.754 1.00 0.00 C ATOM 477 C LEU A 66 4.951 -25.810 -0.295 1.00 0.00 C ATOM 478 O LEU A 66 4.239 -26.707 0.153 1.00 0.00 O ATOM 479 CB LEU A 66 6.753 -26.543 -1.961 1.00 0.00 C ATOM 480 CG LEU A 66 7.027 -26.747 -3.453 1.00 0.00 C ATOM 481 CD1 LEU A 66 8.527 -26.684 -3.749 1.00 0.00 C ATOM 482 CD2 LEU A 66 6.398 -28.049 -3.953 1.00 0.00 C ATOM 0 H LEU A 66 6.401 -24.089 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 66 4.679 -26.429 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.553 -25.951 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.748 -27.506 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 66 6.556 -25.931 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.694 -26.832 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.916 -25.710 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.041 -27.465 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.608 -28.170 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.818 -28.891 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.320 -28.015 -3.797 1.00 0.00 H new ATOM 483 N THR A 67 5.377 -24.769 0.405 1.00 0.00 N ATOM 484 CA THR A 67 5.018 -24.611 1.804 1.00 0.00 C ATOM 485 C THR A 67 3.584 -24.094 1.932 1.00 0.00 C ATOM 486 O THR A 67 2.909 -24.361 2.925 1.00 0.00 O ATOM 487 CB THR A 67 6.054 -23.695 2.458 1.00 0.00 C ATOM 488 OG1 THR A 67 7.301 -24.326 2.178 1.00 0.00 O ATOM 489 CG2 THR A 67 5.965 -23.705 3.984 1.00 0.00 C ATOM 0 H THR A 67 5.967 -24.027 0.030 1.00 0.00 H new ATOM 0 HA THR A 67 5.033 -25.568 2.326 1.00 0.00 H new ATOM 0 HB THR A 67 5.919 -22.676 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.030 -23.797 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.722 -23.038 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.976 -23.367 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.133 -24.717 4.352 1.00 0.00 H new ATOM 490 N MET A 68 3.160 -23.361 0.911 1.00 0.00 N ATOM 491 CA MET A 68 1.818 -22.804 0.898 1.00 0.00 C ATOM 492 C MET A 68 0.764 -23.912 0.908 1.00 0.00 C ATOM 493 O MET A 68 -0.243 -23.810 1.606 1.00 0.00 O ATOM 494 CB MET A 68 1.636 -21.940 -0.352 1.00 0.00 C ATOM 495 CG MET A 68 0.361 -21.103 -0.259 1.00 0.00 C ATOM 496 SD MET A 68 0.593 -19.760 0.895 1.00 0.00 S ATOM 497 CE MET A 68 -1.044 -19.049 0.877 1.00 0.00 C ATOM 0 H MET A 68 3.722 -23.141 0.089 1.00 0.00 H new ATOM 0 HA MET A 68 1.689 -22.197 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.498 -21.284 -0.473 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.593 -22.577 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.103 -20.708 -1.242 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.472 -21.729 0.062 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.968 -17.962 0.840 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.586 -19.405 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.579 -19.345 1.779 1.00 0.00 H new ATOM 498 N VAL A 69 1.032 -24.948 0.126 1.00 0.00 N ATOM 499 CA VAL A 69 0.119 -26.076 0.037 1.00 0.00 C ATOM 500 C VAL A 69 0.580 -27.176 0.994 1.00 0.00 C ATOM 501 O VAL A 69 1.766 -27.279 1.304 1.00 0.00 O ATOM 502 CB VAL A 69 0.014 -26.550 -1.414 1.00 0.00 C ATOM 503 CG1 VAL A 69 -0.261 -25.377 -2.357 1.00 0.00 C ATOM 504 CG2 VAL A 69 1.275 -27.309 -1.835 1.00 0.00 C ATOM 0 H VAL A 69 1.868 -25.030 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.885 -25.781 0.342 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.829 -27.237 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.331 -25.742 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.199 -24.898 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.551 -24.654 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.175 -27.635 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.142 -26.654 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.408 -28.179 -1.192 1.00 0.00 H new ATOM 505 N PRO A 70 -0.409 -27.993 1.449 1.00 0.00 N ATOM 506 CA PRO A 70 -0.117 -29.082 2.364 1.00 0.00 C ATOM 507 C PRO A 70 0.557 -30.246 1.636 1.00 0.00 C ATOM 508 O PRO A 70 1.365 -30.966 2.220 1.00 0.00 O ATOM 509 CB PRO A 70 -1.460 -29.457 2.969 1.00 0.00 C ATOM 510 CG PRO A 70 -2.512 -28.887 2.032 1.00 0.00 C ATOM 511 CD PRO A 70 -1.824 -27.901 1.102 1.00 0.00 C ATOM 0 HA PRO A 70 0.591 -28.799 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.560 -30.539 3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.566 -29.044 3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.986 -29.685 1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.300 -28.391 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.993 -28.158 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.203 -26.889 1.247 1.00 0.00 H new TER 512 PRO A 70