USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 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 52 THR OG1 : rot 100:sc= -1.73 USER MOD Set 1.2: A 53 ASN : amide:sc= -0.0577 X(o=-1.8,f=-2.3) USER MOD Set 2.1: A 45 GLN : amide:sc= 0 K(o=-0.32,f=-1.1) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.5) USER MOD Single : A 1 ALA N :NH3+ -135:sc= -0.0484 (180deg=-0.988) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 165:sc= -0.713 USER MOD Single : A 12 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-0.053) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 28 THR OG1 : rot 37:sc= 0.168 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 36 HIS : no HD1:sc=-0.00407 X(o=-0.0041,f=-0.0016) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.984 -0.591 0.109 1.00 45.14 N ATOM 2 CA ALA A 1 1.890 -0.392 -1.016 1.00 71.22 C ATOM 3 C ALA A 1 1.116 -0.165 -2.310 1.00 60.45 C ATOM 4 O ALA A 1 1.051 -1.031 -3.183 1.00 62.42 O ATOM 5 CB ALA A 1 2.824 -1.585 -1.159 1.00 75.03 C ATOM 0 H1 ALA A 1 1.311 -0.030 0.921 1.00 45.14 H new ATOM 0 H2 ALA A 1 0.026 -0.287 -0.159 1.00 45.14 H new ATOM 0 H3 ALA A 1 0.968 -1.598 0.368 1.00 45.14 H new ATOM 0 HA ALA A 1 2.485 0.499 -0.818 1.00 71.22 H new ATOM 0 HB1 ALA A 1 3.495 -1.423 -2.003 1.00 75.03 H new ATOM 0 HB2 ALA A 1 3.410 -1.700 -0.247 1.00 75.03 H new ATOM 0 HB3 ALA A 1 2.238 -2.488 -1.330 1.00 75.03 H new ATOM 11 N PRO A 2 0.514 1.026 -2.440 1.00 14.03 N ATOM 12 CA PRO A 2 -0.267 1.394 -3.625 1.00 31.05 C ATOM 13 C PRO A 2 0.609 1.593 -4.857 1.00 14.21 C ATOM 14 O PRO A 2 1.718 2.118 -4.763 1.00 73.04 O ATOM 15 CB PRO A 2 -0.927 2.714 -3.219 1.00 12.05 C ATOM 16 CG PRO A 2 -0.027 3.283 -2.177 1.00 1.11 C ATOM 17 CD PRO A 2 0.549 2.106 -1.439 1.00 72.02 C ATOM 0 HA PRO A 2 -0.977 0.615 -3.904 1.00 31.05 H new ATOM 0 HB2 PRO A 2 -1.022 3.388 -4.071 1.00 12.05 H new ATOM 0 HB3 PRO A 2 -1.931 2.551 -2.828 1.00 12.05 H new ATOM 0 HG2 PRO A 2 0.762 3.884 -2.629 1.00 1.11 H new ATOM 0 HG3 PRO A 2 -0.578 3.936 -1.500 1.00 1.11 H new ATOM 0 HD2 PRO A 2 1.565 2.304 -1.097 1.00 72.02 H new ATOM 0 HD3 PRO A 2 -0.041 1.856 -0.557 1.00 72.02 H new ATOM 25 N ALA A 3 0.103 1.171 -6.011 1.00 54.21 N ATOM 26 CA ALA A 3 0.838 1.306 -7.262 1.00 61.13 C ATOM 27 C ALA A 3 0.916 2.765 -7.699 1.00 24.12 C ATOM 28 O ALA A 3 -0.026 3.532 -7.504 1.00 11.55 O ATOM 29 CB ALA A 3 0.189 0.462 -8.349 1.00 64.14 C ATOM 0 H ALA A 3 -0.813 0.733 -6.105 1.00 54.21 H new ATOM 0 HA ALA A 3 1.854 0.949 -7.097 1.00 61.13 H new ATOM 0 HB1 ALA A 3 0.748 0.572 -9.278 1.00 64.14 H new ATOM 0 HB2 ALA A 3 0.191 -0.585 -8.046 1.00 64.14 H new ATOM 0 HB3 ALA A 3 -0.838 0.793 -8.502 1.00 64.14 H new ATOM 35 N ARG A 4 2.046 3.141 -8.290 1.00 12.24 N ATOM 36 CA ARG A 4 2.247 4.509 -8.752 1.00 3.22 C ATOM 37 C ARG A 4 2.631 4.533 -10.229 1.00 13.14 C ATOM 38 O ARG A 4 3.568 3.855 -10.648 1.00 63.55 O ATOM 39 CB ARG A 4 3.333 5.196 -7.921 1.00 14.20 C ATOM 40 CG ARG A 4 3.078 5.144 -6.423 1.00 73.05 C ATOM 41 CD ARG A 4 4.271 5.663 -5.637 1.00 1.02 C ATOM 42 NE ARG A 4 5.210 4.597 -5.299 1.00 60.54 N ATOM 43 CZ ARG A 4 6.332 4.794 -4.616 1.00 12.01 C ATOM 44 NH1 ARG A 4 6.652 6.011 -4.199 1.00 4.11 N ATOM 45 NH2 ARG A 4 7.135 3.773 -4.348 1.00 23.32 N ATOM 0 H ARG A 4 2.835 2.518 -8.460 1.00 12.24 H new ATOM 0 HA ARG A 4 1.308 5.049 -8.629 1.00 3.22 H new ATOM 0 HB2 ARG A 4 4.293 4.726 -8.134 1.00 14.20 H new ATOM 0 HB3 ARG A 4 3.412 6.238 -8.232 1.00 14.20 H new ATOM 0 HG2 ARG A 4 2.196 5.738 -6.182 1.00 73.05 H new ATOM 0 HG3 ARG A 4 2.863 4.118 -6.125 1.00 73.05 H new ATOM 0 HD2 ARG A 4 4.785 6.427 -6.221 1.00 1.02 H new ATOM 0 HD3 ARG A 4 3.922 6.142 -4.722 1.00 1.02 H new ATOM 0 HE ARG A 4 4.992 3.648 -5.604 1.00 60.54 H new ATOM 0 HH11 ARG A 4 6.036 6.798 -4.402 1.00 4.11 H new ATOM 0 HH12 ARG A 4 7.514 6.160 -3.675 1.00 4.11 H new ATOM 0 HH21 ARG A 4 6.891 2.835 -4.667 1.00 23.32 H new ATOM 0 HH22 ARG A 4 7.996 3.926 -3.823 1.00 23.32 H new ATOM 59 N PHE A 5 1.899 5.319 -11.012 1.00 30.31 N ATOM 60 CA PHE A 5 2.161 5.430 -12.442 1.00 41.10 C ATOM 61 C PHE A 5 1.932 6.858 -12.927 1.00 51.53 C ATOM 62 O PHE A 5 1.158 7.611 -12.335 1.00 74.12 O ATOM 63 CB PHE A 5 1.267 4.465 -13.223 1.00 31.43 C ATOM 64 CG PHE A 5 1.735 3.038 -13.170 1.00 12.34 C ATOM 65 CD1 PHE A 5 1.478 2.252 -12.058 1.00 11.11 C ATOM 66 CD2 PHE A 5 2.431 2.484 -14.231 1.00 71.33 C ATOM 67 CE1 PHE A 5 1.908 0.940 -12.006 1.00 60.33 C ATOM 68 CE2 PHE A 5 2.863 1.172 -14.186 1.00 23.44 C ATOM 69 CZ PHE A 5 2.600 0.398 -13.072 1.00 4.42 C ATOM 0 H PHE A 5 1.120 5.888 -10.680 1.00 30.31 H new ATOM 0 HA PHE A 5 3.205 5.168 -12.616 1.00 41.10 H new ATOM 0 HB2 PHE A 5 0.253 4.521 -12.828 1.00 31.43 H new ATOM 0 HB3 PHE A 5 1.222 4.786 -14.264 1.00 31.43 H new ATOM 0 HD1 PHE A 5 0.936 2.670 -11.223 1.00 11.11 H new ATOM 0 HD2 PHE A 5 2.639 3.084 -15.104 1.00 71.33 H new ATOM 0 HE1 PHE A 5 1.703 0.338 -11.133 1.00 60.33 H new ATOM 0 HE2 PHE A 5 3.405 0.752 -15.020 1.00 23.44 H new ATOM 0 HZ PHE A 5 2.935 -0.628 -13.035 1.00 4.42 H new ATOM 79 N CYS A 6 2.611 7.226 -14.009 1.00 23.33 N ATOM 80 CA CYS A 6 2.484 8.563 -14.575 1.00 2.24 C ATOM 81 C CYS A 6 2.102 8.495 -16.050 1.00 41.44 C ATOM 82 O CYS A 6 2.446 7.542 -16.749 1.00 24.21 O ATOM 83 CB CYS A 6 3.795 9.336 -14.411 1.00 34.33 C ATOM 84 SG CYS A 6 4.105 9.922 -12.714 1.00 54.52 S ATOM 0 H CYS A 6 3.255 6.616 -14.511 1.00 23.33 H new ATOM 0 HA CYS A 6 1.693 9.085 -14.037 1.00 2.24 H new ATOM 0 HB2 CYS A 6 4.622 8.697 -14.720 1.00 34.33 H new ATOM 0 HB3 CYS A 6 3.786 10.193 -15.084 1.00 34.33 H new ATOM 89 N VAL A 7 1.388 9.514 -16.519 1.00 4.33 N ATOM 90 CA VAL A 7 0.960 9.572 -17.911 1.00 64.13 C ATOM 91 C VAL A 7 1.327 10.909 -18.544 1.00 42.51 C ATOM 92 O VAL A 7 1.314 11.946 -17.880 1.00 42.54 O ATOM 93 CB VAL A 7 -0.559 9.355 -18.041 1.00 20.51 C ATOM 94 CG1 VAL A 7 -0.966 9.291 -19.505 1.00 74.20 C ATOM 95 CG2 VAL A 7 -0.981 8.091 -17.306 1.00 44.02 C ATOM 0 H VAL A 7 1.094 10.311 -15.954 1.00 4.33 H new ATOM 0 HA VAL A 7 1.480 8.770 -18.435 1.00 64.13 H new ATOM 0 HB VAL A 7 -1.070 10.202 -17.583 1.00 20.51 H new ATOM 0 HG11 VAL A 7 -2.043 9.137 -19.577 1.00 74.20 H new ATOM 0 HG12 VAL A 7 -0.699 10.226 -19.998 1.00 74.20 H new ATOM 0 HG13 VAL A 7 -0.448 8.464 -19.991 1.00 74.20 H new ATOM 0 HG21 VAL A 7 -2.057 7.953 -17.408 1.00 44.02 H new ATOM 0 HG22 VAL A 7 -0.463 7.232 -17.732 1.00 44.02 H new ATOM 0 HG23 VAL A 7 -0.725 8.181 -16.250 1.00 44.02 H new ATOM 105 N TYR A 8 1.654 10.879 -19.831 1.00 75.23 N ATOM 106 CA TYR A 8 2.026 12.089 -20.554 1.00 61.24 C ATOM 107 C TYR A 8 0.998 12.418 -21.632 1.00 15.10 C ATOM 108 O TYR A 8 0.506 11.530 -22.329 1.00 43.35 O ATOM 109 CB TYR A 8 3.409 11.925 -21.187 1.00 21.31 C ATOM 110 CG TYR A 8 4.328 13.101 -20.947 1.00 50.45 C ATOM 111 CD1 TYR A 8 4.564 13.574 -19.662 1.00 71.24 C ATOM 112 CD2 TYR A 8 4.961 13.740 -22.007 1.00 1.13 C ATOM 113 CE1 TYR A 8 5.402 14.649 -19.439 1.00 50.03 C ATOM 114 CE2 TYR A 8 5.802 14.815 -21.793 1.00 1.11 C ATOM 115 CZ TYR A 8 6.019 15.266 -20.508 1.00 12.15 C ATOM 116 OH TYR A 8 6.856 16.337 -20.289 1.00 74.43 O ATOM 0 H TYR A 8 1.669 10.029 -20.395 1.00 75.23 H new ATOM 0 HA TYR A 8 2.055 12.913 -19.841 1.00 61.24 H new ATOM 0 HB2 TYR A 8 3.876 11.023 -20.791 1.00 21.31 H new ATOM 0 HB3 TYR A 8 3.293 11.779 -22.261 1.00 21.31 H new ATOM 0 HD1 TYR A 8 4.084 13.093 -18.823 1.00 71.24 H new ATOM 0 HD2 TYR A 8 4.792 13.390 -23.015 1.00 1.13 H new ATOM 0 HE1 TYR A 8 5.573 15.005 -18.434 1.00 50.03 H new ATOM 0 HE2 TYR A 8 6.287 15.300 -22.628 1.00 1.11 H new ATOM 0 HH TYR A 8 7.210 16.656 -21.145 1.00 74.43 H new ATOM 126 N TYR A 9 0.677 13.701 -21.762 1.00 70.51 N ATOM 127 CA TYR A 9 -0.294 14.149 -22.753 1.00 33.10 C ATOM 128 C TYR A 9 0.263 15.304 -23.579 1.00 5.24 C ATOM 129 O TYR A 9 1.380 15.768 -23.344 1.00 34.32 O ATOM 130 CB TYR A 9 -1.593 14.577 -22.067 1.00 42.55 C ATOM 131 CG TYR A 9 -2.386 13.423 -21.497 1.00 40.43 C ATOM 132 CD1 TYR A 9 -2.152 12.963 -20.207 1.00 45.45 C ATOM 133 CD2 TYR A 9 -3.371 12.794 -22.248 1.00 61.35 C ATOM 134 CE1 TYR A 9 -2.873 11.909 -19.683 1.00 74.20 C ATOM 135 CE2 TYR A 9 -4.099 11.739 -21.732 1.00 3.34 C ATOM 136 CZ TYR A 9 -3.846 11.300 -20.449 1.00 1.33 C ATOM 137 OH TYR A 9 -4.568 10.250 -19.929 1.00 52.43 O ATOM 0 H TYR A 9 1.075 14.449 -21.194 1.00 70.51 H new ATOM 0 HA TYR A 9 -0.502 13.315 -23.423 1.00 33.10 H new ATOM 0 HB2 TYR A 9 -1.357 15.276 -21.265 1.00 42.55 H new ATOM 0 HB3 TYR A 9 -2.213 15.114 -22.785 1.00 42.55 H new ATOM 0 HD1 TYR A 9 -1.393 13.438 -19.604 1.00 45.45 H new ATOM 0 HD2 TYR A 9 -3.571 13.136 -23.253 1.00 61.35 H new ATOM 0 HE1 TYR A 9 -2.677 11.563 -18.679 1.00 74.20 H new ATOM 0 HE2 TYR A 9 -4.861 11.261 -22.329 1.00 3.34 H new ATOM 0 HH TYR A 9 -5.360 10.091 -20.484 1.00 52.43 H new ATOM 147 N ASP A 10 -0.522 15.764 -24.546 1.00 11.51 N ATOM 148 CA ASP A 10 -0.109 16.867 -25.407 1.00 33.04 C ATOM 149 C ASP A 10 -1.109 18.017 -25.334 1.00 1.04 C ATOM 150 O ASP A 10 -2.290 17.810 -25.060 1.00 73.31 O ATOM 151 CB ASP A 10 0.032 16.388 -26.852 1.00 55.33 C ATOM 152 CG ASP A 10 1.232 16.998 -27.550 1.00 31.44 C ATOM 153 OD1 ASP A 10 2.335 16.422 -27.444 1.00 62.44 O ATOM 154 OD2 ASP A 10 1.068 18.050 -28.201 1.00 71.02 O ATOM 0 H ASP A 10 -1.448 15.391 -24.754 1.00 11.51 H new ATOM 0 HA ASP A 10 0.858 17.228 -25.056 1.00 33.04 H new ATOM 0 HB2 ASP A 10 0.122 15.302 -26.864 1.00 55.33 H new ATOM 0 HB3 ASP A 10 -0.873 16.640 -27.405 1.00 55.33 H new ATOM 159 N GLY A 11 -0.626 19.231 -25.579 1.00 43.23 N ATOM 160 CA GLY A 11 -1.490 20.396 -25.535 1.00 43.42 C ATOM 161 C GLY A 11 -2.732 20.230 -26.387 1.00 70.55 C ATOM 162 O GLY A 11 -2.673 20.342 -27.612 1.00 53.24 O ATOM 0 H GLY A 11 0.348 19.429 -25.807 1.00 43.23 H new ATOM 0 HA2 GLY A 11 -1.784 20.587 -24.503 1.00 43.42 H new ATOM 0 HA3 GLY A 11 -0.934 21.270 -25.875 1.00 43.42 H new ATOM 166 N HIS A 12 -3.861 19.958 -25.739 1.00 45.54 N ATOM 167 CA HIS A 12 -5.123 19.774 -26.446 1.00 40.44 C ATOM 168 C HIS A 12 -6.287 19.678 -25.464 1.00 64.24 C ATOM 169 O HIS A 12 -6.240 18.907 -24.504 1.00 51.44 O ATOM 170 CB HIS A 12 -5.067 18.517 -27.314 1.00 71.13 C ATOM 171 CG HIS A 12 -5.216 18.793 -28.779 1.00 32.32 C ATOM 172 ND1 HIS A 12 -5.825 17.916 -29.652 1.00 20.23 N ATOM 173 CD2 HIS A 12 -4.833 19.857 -29.523 1.00 21.51 C ATOM 174 CE1 HIS A 12 -5.808 18.427 -30.870 1.00 11.45 C ATOM 175 NE2 HIS A 12 -5.212 19.605 -30.819 1.00 10.05 N ATOM 0 H HIS A 12 -3.927 19.860 -24.726 1.00 45.54 H new ATOM 0 HA HIS A 12 -5.282 20.641 -27.087 1.00 40.44 H new ATOM 0 HB2 HIS A 12 -4.118 18.009 -27.143 1.00 71.13 H new ATOM 0 HB3 HIS A 12 -5.855 17.833 -27.000 1.00 71.13 H new ATOM 0 HD2 HIS A 12 -4.324 20.740 -29.164 1.00 21.51 H new ATOM 0 HE1 HIS A 12 -6.212 17.961 -31.756 1.00 11.45 H new ATOM 0 HE2 HIS A 12 -5.058 20.226 -31.613 1.00 10.05 H new ATOM 183 N LEU A 13 -7.329 20.464 -25.710 1.00 44.22 N ATOM 184 CA LEU A 13 -8.505 20.468 -24.847 1.00 43.12 C ATOM 185 C LEU A 13 -9.013 19.049 -24.614 1.00 14.13 C ATOM 186 O LEU A 13 -8.701 18.121 -25.360 1.00 33.22 O ATOM 187 CB LEU A 13 -9.612 21.324 -25.465 1.00 30.13 C ATOM 188 CG LEU A 13 -9.797 22.718 -24.864 1.00 45.04 C ATOM 189 CD1 LEU A 13 -8.478 23.477 -24.861 1.00 74.43 C ATOM 190 CD2 LEU A 13 -10.858 23.493 -25.632 1.00 31.24 C ATOM 0 H LEU A 13 -7.384 21.107 -26.500 1.00 44.22 H new ATOM 0 HA LEU A 13 -8.219 20.894 -23.885 1.00 43.12 H new ATOM 0 HB2 LEU A 13 -9.407 21.434 -26.530 1.00 30.13 H new ATOM 0 HB3 LEU A 13 -10.554 20.784 -25.376 1.00 30.13 H new ATOM 0 HG LEU A 13 -10.132 22.607 -23.833 1.00 45.04 H new ATOM 0 HD11 LEU A 13 -8.629 24.467 -24.430 1.00 74.43 H new ATOM 0 HD12 LEU A 13 -7.745 22.930 -24.268 1.00 74.43 H new ATOM 0 HD13 LEU A 13 -8.114 23.578 -25.883 1.00 74.43 H new ATOM 0 HD21 LEU A 13 -10.977 24.483 -25.191 1.00 31.24 H new ATOM 0 HD22 LEU A 13 -10.552 23.594 -26.673 1.00 31.24 H new ATOM 0 HD23 LEU A 13 -11.806 22.958 -25.583 1.00 31.24 H new ATOM 202 N PRO A 14 -9.818 18.875 -23.555 1.00 1.44 N ATOM 203 CA PRO A 14 -10.389 17.573 -23.200 1.00 35.02 C ATOM 204 C PRO A 14 -11.444 17.111 -24.200 1.00 23.20 C ATOM 205 O PRO A 14 -11.910 15.973 -24.144 1.00 3.34 O ATOM 206 CB PRO A 14 -11.026 17.826 -21.831 1.00 23.22 C ATOM 207 CG PRO A 14 -11.320 19.286 -21.814 1.00 2.24 C ATOM 208 CD PRO A 14 -10.232 19.937 -22.622 1.00 41.21 C ATOM 0 HA PRO A 14 -9.636 16.785 -23.196 1.00 35.02 H new ATOM 0 HB2 PRO A 14 -11.935 17.238 -21.702 1.00 23.22 H new ATOM 0 HB3 PRO A 14 -10.350 17.549 -21.022 1.00 23.22 H new ATOM 0 HG2 PRO A 14 -12.301 19.492 -22.243 1.00 2.24 H new ATOM 0 HG3 PRO A 14 -11.331 19.670 -20.794 1.00 2.24 H new ATOM 0 HD2 PRO A 14 -10.597 20.817 -23.151 1.00 41.21 H new ATOM 0 HD3 PRO A 14 -9.404 20.264 -21.992 1.00 41.21 H new ATOM 216 N ALA A 15 -11.815 18.000 -25.115 1.00 2.30 N ATOM 217 CA ALA A 15 -12.812 17.682 -26.129 1.00 52.12 C ATOM 218 C ALA A 15 -12.243 16.735 -27.181 1.00 14.35 C ATOM 219 O ALA A 15 -12.945 15.859 -27.687 1.00 23.53 O ATOM 220 CB ALA A 15 -13.323 18.956 -26.785 1.00 12.51 C ATOM 0 H ALA A 15 -11.440 18.947 -25.175 1.00 2.30 H new ATOM 0 HA ALA A 15 -13.645 17.180 -25.638 1.00 52.12 H new ATOM 0 HB1 ALA A 15 -14.067 18.703 -27.540 1.00 12.51 H new ATOM 0 HB2 ALA A 15 -13.776 19.598 -26.029 1.00 12.51 H new ATOM 0 HB3 ALA A 15 -12.492 19.481 -27.256 1.00 12.51 H new ATOM 226 N THR A 16 -10.967 16.918 -27.506 1.00 75.24 N ATOM 227 CA THR A 16 -10.305 16.081 -28.499 1.00 40.30 C ATOM 228 C THR A 16 -8.895 15.711 -28.053 1.00 41.34 C ATOM 229 O THR A 16 -8.017 15.467 -28.881 1.00 25.35 O ATOM 230 CB THR A 16 -10.231 16.785 -29.867 1.00 64.03 C ATOM 231 OG1 THR A 16 -11.319 17.705 -30.005 1.00 12.02 O ATOM 232 CG2 THR A 16 -10.271 15.771 -31.000 1.00 71.33 C ATOM 0 H THR A 16 -10.372 17.638 -27.096 1.00 75.24 H new ATOM 0 HA THR A 16 -10.902 15.174 -28.597 1.00 40.30 H new ATOM 0 HB THR A 16 -9.288 17.329 -29.920 1.00 64.03 H new ATOM 0 HG1 THR A 16 -11.263 18.149 -30.877 1.00 12.02 H new ATOM 0 HG21 THR A 16 -10.217 16.292 -31.956 1.00 71.33 H new ATOM 0 HG22 THR A 16 -9.424 15.091 -30.909 1.00 71.33 H new ATOM 0 HG23 THR A 16 -11.200 15.203 -30.948 1.00 71.33 H new ATOM 240 N ARG A 17 -8.685 15.671 -26.742 1.00 12.54 N ATOM 241 CA ARG A 17 -7.381 15.331 -26.186 1.00 42.44 C ATOM 242 C ARG A 17 -6.861 14.025 -26.780 1.00 11.22 C ATOM 243 O ARG A 17 -7.627 13.231 -27.327 1.00 1.44 O ATOM 244 CB ARG A 17 -7.466 15.214 -24.664 1.00 1.05 C ATOM 245 CG ARG A 17 -8.290 14.029 -24.189 1.00 75.42 C ATOM 246 CD ARG A 17 -8.912 14.292 -22.826 1.00 63.34 C ATOM 247 NE ARG A 17 -9.042 13.069 -22.039 1.00 24.32 N ATOM 248 CZ ARG A 17 -9.651 13.015 -20.860 1.00 2.35 C ATOM 249 NH1 ARG A 17 -10.183 14.110 -20.335 1.00 15.14 N ATOM 250 NH2 ARG A 17 -9.729 11.865 -20.203 1.00 64.21 N ATOM 0 H ARG A 17 -9.402 15.870 -26.044 1.00 12.54 H new ATOM 0 HA ARG A 17 -6.685 16.130 -26.443 1.00 42.44 H new ATOM 0 HB2 ARG A 17 -6.458 15.131 -24.258 1.00 1.05 H new ATOM 0 HB3 ARG A 17 -7.897 16.130 -24.261 1.00 1.05 H new ATOM 0 HG2 ARG A 17 -9.076 13.817 -24.914 1.00 75.42 H new ATOM 0 HG3 ARG A 17 -7.658 13.143 -24.136 1.00 75.42 H new ATOM 0 HD2 ARG A 17 -8.300 15.011 -22.281 1.00 63.34 H new ATOM 0 HD3 ARG A 17 -9.895 14.745 -22.957 1.00 63.34 H new ATOM 0 HE ARG A 17 -8.643 12.209 -22.415 1.00 24.32 H new ATOM 0 HH11 ARG A 17 -10.125 14.996 -20.837 1.00 15.14 H new ATOM 0 HH12 ARG A 17 -10.650 14.066 -19.429 1.00 15.14 H new ATOM 0 HH21 ARG A 17 -9.321 11.020 -20.603 1.00 64.21 H new ATOM 0 HH22 ARG A 17 -10.197 11.826 -19.298 1.00 64.21 H new ATOM 264 N VAL A 18 -5.554 13.809 -26.668 1.00 52.24 N ATOM 265 CA VAL A 18 -4.932 12.600 -27.193 1.00 21.50 C ATOM 266 C VAL A 18 -3.794 12.132 -26.293 1.00 3.33 C ATOM 267 O VAL A 18 -2.828 12.862 -26.065 1.00 43.02 O ATOM 268 CB VAL A 18 -4.388 12.820 -28.617 1.00 1.41 C ATOM 269 CG1 VAL A 18 -3.842 11.521 -29.188 1.00 23.43 C ATOM 270 CG2 VAL A 18 -5.471 13.394 -29.518 1.00 13.14 C ATOM 0 H VAL A 18 -4.906 14.456 -26.218 1.00 52.24 H new ATOM 0 HA VAL A 18 -5.707 11.834 -27.223 1.00 21.50 H new ATOM 0 HB VAL A 18 -3.570 13.538 -28.567 1.00 1.41 H new ATOM 0 HG11 VAL A 18 -3.462 11.697 -30.194 1.00 23.43 H new ATOM 0 HG12 VAL A 18 -3.034 11.156 -28.554 1.00 23.43 H new ATOM 0 HG13 VAL A 18 -4.638 10.777 -29.225 1.00 23.43 H new ATOM 0 HG21 VAL A 18 -5.069 13.543 -30.520 1.00 13.14 H new ATOM 0 HG22 VAL A 18 -6.311 12.701 -29.563 1.00 13.14 H new ATOM 0 HG23 VAL A 18 -5.809 14.349 -29.117 1.00 13.14 H new ATOM 280 N LEU A 19 -3.913 10.911 -25.783 1.00 12.51 N ATOM 281 CA LEU A 19 -2.893 10.345 -24.907 1.00 15.02 C ATOM 282 C LEU A 19 -1.647 9.962 -25.698 1.00 72.14 C ATOM 283 O LEU A 19 -1.735 9.294 -26.730 1.00 4.31 O ATOM 284 CB LEU A 19 -3.444 9.119 -24.176 1.00 54.23 C ATOM 285 CG LEU A 19 -2.477 8.413 -23.227 1.00 25.45 C ATOM 286 CD1 LEU A 19 -3.191 7.994 -21.951 1.00 23.21 C ATOM 287 CD2 LEU A 19 -1.846 7.207 -23.908 1.00 30.45 C ATOM 0 H LEU A 19 -4.706 10.294 -25.961 1.00 12.51 H new ATOM 0 HA LEU A 19 -2.617 11.104 -24.175 1.00 15.02 H new ATOM 0 HB2 LEU A 19 -4.322 9.424 -23.607 1.00 54.23 H new ATOM 0 HB3 LEU A 19 -3.782 8.398 -24.921 1.00 54.23 H new ATOM 0 HG LEU A 19 -1.684 9.112 -22.962 1.00 25.45 H new ATOM 0 HD11 LEU A 19 -2.486 7.493 -21.288 1.00 23.21 H new ATOM 0 HD12 LEU A 19 -3.594 8.876 -21.453 1.00 23.21 H new ATOM 0 HD13 LEU A 19 -4.005 7.312 -22.197 1.00 23.21 H new ATOM 0 HD21 LEU A 19 -1.160 6.717 -23.217 1.00 30.45 H new ATOM 0 HD22 LEU A 19 -2.627 6.506 -24.203 1.00 30.45 H new ATOM 0 HD23 LEU A 19 -1.298 7.534 -24.792 1.00 30.45 H new ATOM 299 N LEU A 20 -0.488 10.386 -25.208 1.00 42.54 N ATOM 300 CA LEU A 20 0.778 10.086 -25.869 1.00 11.14 C ATOM 301 C LEU A 20 1.227 8.661 -25.562 1.00 60.13 C ATOM 302 O LEU A 20 1.351 7.832 -26.463 1.00 64.12 O ATOM 303 CB LEU A 20 1.855 11.078 -25.426 1.00 53.52 C ATOM 304 CG LEU A 20 1.520 12.559 -25.611 1.00 34.11 C ATOM 305 CD1 LEU A 20 2.430 13.423 -24.753 1.00 0.34 C ATOM 306 CD2 LEU A 20 1.633 12.953 -27.076 1.00 64.34 C ATOM 0 H LEU A 20 -0.398 10.939 -24.355 1.00 42.54 H new ATOM 0 HA LEU A 20 0.629 10.177 -26.945 1.00 11.14 H new ATOM 0 HB2 LEU A 20 2.070 10.904 -24.372 1.00 53.52 H new ATOM 0 HB3 LEU A 20 2.770 10.861 -25.978 1.00 53.52 H new ATOM 0 HG LEU A 20 0.491 12.721 -25.291 1.00 34.11 H new ATOM 0 HD11 LEU A 20 2.177 14.473 -24.898 1.00 0.34 H new ATOM 0 HD12 LEU A 20 2.299 13.159 -23.704 1.00 0.34 H new ATOM 0 HD13 LEU A 20 3.468 13.257 -25.042 1.00 0.34 H new ATOM 0 HD21 LEU A 20 1.391 14.010 -27.188 1.00 64.34 H new ATOM 0 HD22 LEU A 20 2.651 12.775 -27.423 1.00 64.34 H new ATOM 0 HD23 LEU A 20 0.938 12.357 -27.668 1.00 64.34 H new ATOM 318 N MET A 21 1.467 8.383 -24.285 1.00 13.21 N ATOM 319 CA MET A 21 1.899 7.057 -23.860 1.00 35.33 C ATOM 320 C MET A 21 2.083 7.004 -22.346 1.00 54.14 C ATOM 321 O MET A 21 2.358 8.021 -21.709 1.00 53.12 O ATOM 322 CB MET A 21 3.205 6.674 -24.558 1.00 1.23 C ATOM 323 CG MET A 21 3.053 5.530 -25.546 1.00 64.35 C ATOM 324 SD MET A 21 3.358 3.919 -24.796 1.00 72.42 S ATOM 325 CE MET A 21 2.753 2.827 -26.081 1.00 12.01 C ATOM 0 H MET A 21 1.370 9.058 -23.527 1.00 13.21 H new ATOM 0 HA MET A 21 1.124 6.343 -24.139 1.00 35.33 H new ATOM 0 HB2 MET A 21 3.597 7.546 -25.082 1.00 1.23 H new ATOM 0 HB3 MET A 21 3.942 6.397 -23.805 1.00 1.23 H new ATOM 0 HG2 MET A 21 2.046 5.547 -25.964 1.00 64.35 H new ATOM 0 HG3 MET A 21 3.745 5.677 -26.375 1.00 64.35 H new ATOM 0 HE1 MET A 21 2.874 1.791 -25.765 1.00 12.01 H new ATOM 0 HE2 MET A 21 1.698 3.030 -26.264 1.00 12.01 H new ATOM 0 HE3 MET A 21 3.319 2.995 -26.997 1.00 12.01 H new ATOM 335 N TYR A 22 1.929 5.814 -21.777 1.00 72.34 N ATOM 336 CA TYR A 22 2.075 5.630 -20.338 1.00 64.35 C ATOM 337 C TYR A 22 3.537 5.402 -19.964 1.00 72.24 C ATOM 338 O TYR A 22 4.298 4.802 -20.723 1.00 71.44 O ATOM 339 CB TYR A 22 1.226 4.449 -19.865 1.00 21.10 C ATOM 340 CG TYR A 22 -0.256 4.745 -19.828 1.00 51.33 C ATOM 341 CD1 TYR A 22 -1.006 4.783 -20.998 1.00 1.13 C ATOM 342 CD2 TYR A 22 -0.907 4.988 -18.625 1.00 43.41 C ATOM 343 CE1 TYR A 22 -2.360 5.054 -20.969 1.00 53.13 C ATOM 344 CE2 TYR A 22 -2.261 5.259 -18.587 1.00 62.21 C ATOM 345 CZ TYR A 22 -2.983 5.291 -19.762 1.00 32.34 C ATOM 346 OH TYR A 22 -4.332 5.561 -19.728 1.00 40.11 O ATOM 0 H TYR A 22 1.703 4.962 -22.290 1.00 72.34 H new ATOM 0 HA TYR A 22 1.729 6.538 -19.844 1.00 64.35 H new ATOM 0 HB2 TYR A 22 1.402 3.599 -20.524 1.00 21.10 H new ATOM 0 HB3 TYR A 22 1.554 4.153 -18.869 1.00 21.10 H new ATOM 0 HD1 TYR A 22 -0.522 4.598 -21.945 1.00 1.13 H new ATOM 0 HD2 TYR A 22 -0.345 4.965 -17.703 1.00 43.41 H new ATOM 0 HE1 TYR A 22 -2.928 5.080 -21.887 1.00 53.13 H new ATOM 0 HE2 TYR A 22 -2.751 5.445 -17.643 1.00 62.21 H new ATOM 0 HH TYR A 22 -4.614 5.703 -18.800 1.00 40.11 H new ATOM 356 N VAL A 23 3.922 5.885 -18.788 1.00 10.43 N ATOM 357 CA VAL A 23 5.291 5.734 -18.310 1.00 42.00 C ATOM 358 C VAL A 23 5.324 5.084 -16.931 1.00 55.32 C ATOM 359 O VAL A 23 4.871 5.670 -15.947 1.00 74.53 O ATOM 360 CB VAL A 23 6.016 7.092 -18.243 1.00 34.41 C ATOM 361 CG1 VAL A 23 7.469 6.902 -17.835 1.00 53.12 C ATOM 362 CG2 VAL A 23 5.918 7.814 -19.578 1.00 73.11 C ATOM 0 H VAL A 23 3.305 6.385 -18.148 1.00 10.43 H new ATOM 0 HA VAL A 23 5.806 5.091 -19.024 1.00 42.00 H new ATOM 0 HB VAL A 23 5.529 7.708 -17.487 1.00 34.41 H new ATOM 0 HG11 VAL A 23 7.965 7.872 -17.793 1.00 53.12 H new ATOM 0 HG12 VAL A 23 7.513 6.429 -16.854 1.00 53.12 H new ATOM 0 HG13 VAL A 23 7.972 6.269 -18.565 1.00 53.12 H new ATOM 0 HG21 VAL A 23 6.435 8.771 -19.513 1.00 73.11 H new ATOM 0 HG22 VAL A 23 6.379 7.205 -20.356 1.00 73.11 H new ATOM 0 HG23 VAL A 23 4.870 7.984 -19.824 1.00 73.11 H new ATOM 372 N ARG A 24 5.862 3.871 -16.867 1.00 45.23 N ATOM 373 CA ARG A 24 5.954 3.141 -15.609 1.00 35.03 C ATOM 374 C ARG A 24 7.082 3.692 -14.741 1.00 74.41 C ATOM 375 O ARG A 24 8.141 4.064 -15.246 1.00 51.33 O ATOM 376 CB ARG A 24 6.180 1.652 -15.874 1.00 23.51 C ATOM 377 CG ARG A 24 5.204 1.056 -16.875 1.00 63.33 C ATOM 378 CD ARG A 24 5.121 -0.457 -16.740 1.00 0.42 C ATOM 379 NE ARG A 24 3.768 -0.953 -16.973 1.00 34.31 N ATOM 380 CZ ARG A 24 3.463 -2.243 -17.059 1.00 32.44 C ATOM 381 NH1 ARG A 24 4.410 -3.162 -16.931 1.00 4.23 N ATOM 382 NH2 ARG A 24 2.208 -2.617 -17.272 1.00 74.12 N ATOM 0 H ARG A 24 6.241 3.373 -17.672 1.00 45.23 H new ATOM 0 HA ARG A 24 5.013 3.269 -15.074 1.00 35.03 H new ATOM 0 HB2 ARG A 24 7.196 1.507 -16.240 1.00 23.51 H new ATOM 0 HB3 ARG A 24 6.100 1.108 -14.933 1.00 23.51 H new ATOM 0 HG2 ARG A 24 4.216 1.491 -16.724 1.00 63.33 H new ATOM 0 HG3 ARG A 24 5.515 1.315 -17.887 1.00 63.33 H new ATOM 0 HD2 ARG A 24 5.805 -0.922 -17.450 1.00 0.42 H new ATOM 0 HD3 ARG A 24 5.448 -0.751 -15.743 1.00 0.42 H new ATOM 0 HE ARG A 24 3.016 -0.272 -17.075 1.00 34.31 H new ATOM 0 HH11 ARG A 24 5.376 -2.879 -16.766 1.00 4.23 H new ATOM 0 HH12 ARG A 24 4.173 -4.152 -16.998 1.00 4.23 H new ATOM 0 HH21 ARG A 24 1.476 -1.914 -17.370 1.00 74.12 H new ATOM 0 HH22 ARG A 24 1.975 -3.608 -17.338 1.00 74.12 H new ATOM 396 N ILE A 25 6.846 3.740 -13.434 1.00 41.13 N ATOM 397 CA ILE A 25 7.842 4.244 -12.497 1.00 42.53 C ATOM 398 C ILE A 25 8.882 3.177 -12.173 1.00 42.34 C ATOM 399 O ILE A 25 9.082 2.822 -11.013 1.00 35.14 O ATOM 400 CB ILE A 25 7.190 4.725 -11.187 1.00 65.41 C ATOM 401 CG1 ILE A 25 5.969 5.595 -11.489 1.00 34.32 C ATOM 402 CG2 ILE A 25 8.198 5.491 -10.344 1.00 44.41 C ATOM 403 CD1 ILE A 25 6.299 6.855 -12.257 1.00 2.33 C ATOM 0 H ILE A 25 5.974 3.436 -13.000 1.00 41.13 H new ATOM 0 HA ILE A 25 8.331 5.089 -12.981 1.00 42.53 H new ATOM 0 HB ILE A 25 6.860 3.854 -10.621 1.00 65.41 H new ATOM 0 HG12 ILE A 25 5.248 5.010 -12.060 1.00 34.32 H new ATOM 0 HG13 ILE A 25 5.486 5.867 -10.550 1.00 34.32 H new ATOM 0 HG21 ILE A 25 7.722 5.824 -9.422 1.00 44.41 H new ATOM 0 HG22 ILE A 25 9.040 4.842 -10.104 1.00 44.41 H new ATOM 0 HG23 ILE A 25 8.555 6.357 -10.901 1.00 44.41 H new ATOM 0 HD11 ILE A 25 5.385 7.422 -12.435 1.00 2.33 H new ATOM 0 HD12 ILE A 25 6.996 7.462 -11.679 1.00 2.33 H new ATOM 0 HD13 ILE A 25 6.754 6.591 -13.212 1.00 2.33 H new ATOM 415 N GLY A 26 9.545 2.671 -13.209 1.00 32.51 N ATOM 416 CA GLY A 26 10.558 1.650 -13.014 1.00 0.13 C ATOM 417 C GLY A 26 11.877 2.010 -13.669 1.00 31.14 C ATOM 418 O GLY A 26 12.945 1.664 -13.163 1.00 3.21 O ATOM 0 H GLY A 26 9.399 2.950 -14.179 1.00 32.51 H new ATOM 0 HA2 GLY A 26 10.716 1.498 -11.946 1.00 0.13 H new ATOM 0 HA3 GLY A 26 10.200 0.704 -13.421 1.00 0.13 H new ATOM 422 N THR A 27 11.804 2.706 -14.799 1.00 62.42 N ATOM 423 CA THR A 27 13.001 3.110 -15.526 1.00 70.11 C ATOM 424 C THR A 27 12.775 4.421 -16.271 1.00 24.23 C ATOM 425 O THR A 27 11.647 4.902 -16.374 1.00 53.34 O ATOM 426 CB THR A 27 13.439 2.029 -16.533 1.00 14.40 C ATOM 427 OG1 THR A 27 14.685 2.397 -17.135 1.00 55.14 O ATOM 428 CG2 THR A 27 12.385 1.837 -17.613 1.00 15.32 C ATOM 0 H THR A 27 10.928 3.002 -15.231 1.00 62.42 H new ATOM 0 HA THR A 27 13.789 3.247 -14.786 1.00 70.11 H new ATOM 0 HB THR A 27 13.560 1.089 -15.994 1.00 14.40 H new ATOM 0 HG1 THR A 27 14.958 1.704 -17.772 1.00 55.14 H new ATOM 0 HG21 THR A 27 12.716 1.069 -18.312 1.00 15.32 H new ATOM 0 HG22 THR A 27 11.446 1.529 -17.154 1.00 15.32 H new ATOM 0 HG23 THR A 27 12.237 2.775 -18.148 1.00 15.32 H new ATOM 436 N THR A 28 13.856 4.995 -16.789 1.00 45.23 N ATOM 437 CA THR A 28 13.776 6.251 -17.524 1.00 45.14 C ATOM 438 C THR A 28 13.716 6.005 -19.028 1.00 3.44 C ATOM 439 O THR A 28 14.584 5.340 -19.593 1.00 34.15 O ATOM 440 CB THR A 28 14.979 7.162 -17.212 1.00 53.23 C ATOM 441 OG1 THR A 28 16.202 6.446 -17.414 1.00 71.34 O ATOM 442 CG2 THR A 28 14.914 7.672 -15.780 1.00 61.34 C ATOM 0 H THR A 28 14.797 4.610 -16.713 1.00 45.23 H new ATOM 0 HA THR A 28 12.860 6.748 -17.203 1.00 45.14 H new ATOM 0 HB THR A 28 14.944 8.017 -17.887 1.00 53.23 H new ATOM 0 HG1 THR A 28 16.111 5.855 -18.190 1.00 71.34 H new ATOM 0 HG21 THR A 28 15.773 8.313 -15.583 1.00 61.34 H new ATOM 0 HG22 THR A 28 13.996 8.242 -15.638 1.00 61.34 H new ATOM 0 HG23 THR A 28 14.926 6.827 -15.092 1.00 61.34 H new ATOM 450 N ALA A 29 12.687 6.548 -19.670 1.00 61.53 N ATOM 451 CA ALA A 29 12.516 6.389 -21.109 1.00 53.21 C ATOM 452 C ALA A 29 12.231 7.729 -21.779 1.00 5.30 C ATOM 453 O ALA A 29 12.070 8.749 -21.108 1.00 1.30 O ATOM 454 CB ALA A 29 11.395 5.402 -21.402 1.00 1.52 C ATOM 0 H ALA A 29 11.960 7.101 -19.217 1.00 61.53 H new ATOM 0 HA ALA A 29 13.447 5.997 -21.519 1.00 53.21 H new ATOM 0 HB1 ALA A 29 11.279 5.293 -22.480 1.00 1.52 H new ATOM 0 HB2 ALA A 29 11.639 4.434 -20.964 1.00 1.52 H new ATOM 0 HB3 ALA A 29 10.464 5.771 -20.972 1.00 1.52 H new ATOM 460 N THR A 30 12.172 7.721 -23.107 1.00 51.21 N ATOM 461 CA THR A 30 11.909 8.936 -23.868 1.00 1.22 C ATOM 462 C THR A 30 10.578 8.846 -24.605 1.00 62.05 C ATOM 463 O THR A 30 10.170 7.768 -25.040 1.00 5.23 O ATOM 464 CB THR A 30 13.030 9.214 -24.887 1.00 41.30 C ATOM 465 OG1 THR A 30 14.306 8.933 -24.301 1.00 30.01 O ATOM 466 CG2 THR A 30 12.989 10.661 -25.355 1.00 3.31 C ATOM 0 H THR A 30 12.303 6.886 -23.678 1.00 51.21 H new ATOM 0 HA THR A 30 11.869 9.756 -23.151 1.00 1.22 H new ATOM 0 HB THR A 30 12.876 8.565 -25.749 1.00 41.30 H new ATOM 0 HG1 THR A 30 15.013 9.111 -24.956 1.00 30.01 H new ATOM 0 HG21 THR A 30 13.790 10.834 -26.074 1.00 3.31 H new ATOM 0 HG22 THR A 30 12.028 10.864 -25.827 1.00 3.31 H new ATOM 0 HG23 THR A 30 13.120 11.324 -24.500 1.00 3.31 H new ATOM 474 N ILE A 31 9.906 9.984 -24.744 1.00 73.52 N ATOM 475 CA ILE A 31 8.621 10.032 -25.431 1.00 42.15 C ATOM 476 C ILE A 31 8.719 10.836 -26.724 1.00 21.14 C ATOM 477 O ILE A 31 9.256 11.944 -26.740 1.00 63.01 O ATOM 478 CB ILE A 31 7.528 10.648 -24.539 1.00 31.04 C ATOM 479 CG1 ILE A 31 7.494 9.947 -23.179 1.00 62.31 C ATOM 480 CG2 ILE A 31 6.172 10.556 -25.222 1.00 72.10 C ATOM 481 CD1 ILE A 31 6.538 10.583 -22.195 1.00 3.25 C ATOM 0 H ILE A 31 10.230 10.884 -24.390 1.00 73.52 H new ATOM 0 HA ILE A 31 8.350 9.003 -25.665 1.00 42.15 H new ATOM 0 HB ILE A 31 7.761 11.701 -24.379 1.00 31.04 H new ATOM 0 HG12 ILE A 31 7.213 8.904 -23.324 1.00 62.31 H new ATOM 0 HG13 ILE A 31 8.497 9.950 -22.752 1.00 62.31 H new ATOM 0 HG21 ILE A 31 5.410 10.996 -24.579 1.00 72.10 H new ATOM 0 HG22 ILE A 31 6.204 11.096 -26.168 1.00 72.10 H new ATOM 0 HG23 ILE A 31 5.929 9.510 -25.409 1.00 72.10 H new ATOM 0 HD11 ILE A 31 6.566 10.034 -21.254 1.00 3.25 H new ATOM 0 HD12 ILE A 31 6.831 11.618 -22.020 1.00 3.25 H new ATOM 0 HD13 ILE A 31 5.527 10.556 -22.601 1.00 3.25 H new ATOM 493 N THR A 32 8.195 10.271 -27.807 1.00 34.01 N ATOM 494 CA THR A 32 8.222 10.935 -29.104 1.00 71.52 C ATOM 495 C THR A 32 6.864 11.539 -29.441 1.00 53.12 C ATOM 496 O THR A 32 5.865 10.827 -29.543 1.00 10.31 O ATOM 497 CB THR A 32 8.630 9.960 -30.225 1.00 52.02 C ATOM 498 OG1 THR A 32 8.743 8.632 -29.702 1.00 72.35 O ATOM 499 CG2 THR A 32 9.952 10.378 -30.851 1.00 55.24 C ATOM 0 H THR A 32 7.747 9.355 -27.811 1.00 34.01 H new ATOM 0 HA THR A 32 8.964 11.731 -29.036 1.00 71.52 H new ATOM 0 HB THR A 32 7.858 9.983 -30.995 1.00 52.02 H new ATOM 0 HG1 THR A 32 9.001 8.018 -30.421 1.00 72.35 H new ATOM 0 HG21 THR A 32 10.220 9.675 -31.640 1.00 55.24 H new ATOM 0 HG22 THR A 32 9.854 11.378 -31.274 1.00 55.24 H new ATOM 0 HG23 THR A 32 10.731 10.381 -30.088 1.00 55.24 H new ATOM 507 N ALA A 33 6.834 12.856 -29.614 1.00 10.40 N ATOM 508 CA ALA A 33 5.598 13.556 -29.943 1.00 2.15 C ATOM 509 C ALA A 33 5.881 14.826 -30.738 1.00 61.22 C ATOM 510 O ALA A 33 6.854 15.532 -30.473 1.00 63.34 O ATOM 511 CB ALA A 33 4.826 13.887 -28.674 1.00 72.11 C ATOM 0 H ALA A 33 7.652 13.460 -29.532 1.00 10.40 H new ATOM 0 HA ALA A 33 4.991 12.898 -30.564 1.00 2.15 H new ATOM 0 HB1 ALA A 33 3.905 14.409 -28.934 1.00 72.11 H new ATOM 0 HB2 ALA A 33 4.583 12.965 -28.145 1.00 72.11 H new ATOM 0 HB3 ALA A 33 5.436 14.524 -28.033 1.00 72.11 H new ATOM 517 N ARG A 34 5.025 15.110 -31.714 1.00 70.03 N ATOM 518 CA ARG A 34 5.185 16.294 -32.550 1.00 14.02 C ATOM 519 C ARG A 34 6.588 16.353 -33.147 1.00 34.11 C ATOM 520 O ARG A 34 7.215 17.411 -33.182 1.00 34.24 O ATOM 521 CB ARG A 34 4.912 17.560 -31.735 1.00 71.21 C ATOM 522 CG ARG A 34 3.483 17.661 -31.228 1.00 12.43 C ATOM 523 CD ARG A 34 2.976 19.094 -31.274 1.00 12.30 C ATOM 524 NE ARG A 34 1.558 19.162 -31.616 1.00 54.31 N ATOM 525 CZ ARG A 34 1.082 18.911 -32.830 1.00 74.34 C ATOM 526 NH1 ARG A 34 1.906 18.576 -33.813 1.00 64.21 N ATOM 527 NH2 ARG A 34 -0.222 18.993 -33.064 1.00 10.43 N ATOM 0 H ARG A 34 4.214 14.537 -31.945 1.00 70.03 H new ATOM 0 HA ARG A 34 4.465 16.232 -33.366 1.00 14.02 H new ATOM 0 HB2 ARG A 34 5.593 17.588 -30.885 1.00 71.21 H new ATOM 0 HB3 ARG A 34 5.133 18.433 -32.350 1.00 71.21 H new ATOM 0 HG2 ARG A 34 2.836 17.025 -31.832 1.00 12.43 H new ATOM 0 HG3 ARG A 34 3.431 17.288 -30.205 1.00 12.43 H new ATOM 0 HD2 ARG A 34 3.138 19.567 -30.306 1.00 12.30 H new ATOM 0 HD3 ARG A 34 3.553 19.659 -32.006 1.00 12.30 H new ATOM 0 HE ARG A 34 0.897 19.416 -30.882 1.00 54.31 H new ATOM 0 HH11 ARG A 34 2.909 18.510 -33.638 1.00 64.21 H new ATOM 0 HH12 ARG A 34 1.537 18.384 -34.744 1.00 64.21 H new ATOM 0 HH21 ARG A 34 -0.860 19.249 -32.311 1.00 10.43 H new ATOM 0 HH22 ARG A 34 -0.586 18.800 -33.997 1.00 10.43 H new ATOM 541 N GLY A 35 7.074 15.208 -33.616 1.00 23.10 N ATOM 542 CA GLY A 35 8.400 15.151 -34.205 1.00 34.15 C ATOM 543 C GLY A 35 9.480 15.612 -33.246 1.00 71.23 C ATOM 544 O GLY A 35 10.574 15.989 -33.667 1.00 71.04 O ATOM 0 H GLY A 35 6.574 14.319 -33.599 1.00 23.10 H new ATOM 0 HA2 GLY A 35 8.611 14.129 -34.521 1.00 34.15 H new ATOM 0 HA3 GLY A 35 8.424 15.772 -35.100 1.00 34.15 H new ATOM 548 N HIS A 36 9.173 15.584 -31.953 1.00 61.51 N ATOM 549 CA HIS A 36 10.126 16.003 -30.932 1.00 24.00 C ATOM 550 C HIS A 36 10.216 14.968 -29.814 1.00 55.42 C ATOM 551 O HIS A 36 9.197 14.487 -29.320 1.00 31.14 O ATOM 552 CB HIS A 36 9.724 17.361 -30.355 1.00 71.43 C ATOM 553 CG HIS A 36 9.752 18.470 -31.361 1.00 15.44 C ATOM 554 ND1 HIS A 36 8.770 19.435 -31.444 1.00 11.23 N ATOM 555 CD2 HIS A 36 10.651 18.767 -32.328 1.00 30.42 C ATOM 556 CE1 HIS A 36 9.063 20.276 -32.420 1.00 24.14 C ATOM 557 NE2 HIS A 36 10.200 19.893 -32.972 1.00 24.32 N ATOM 0 H HIS A 36 8.272 15.276 -31.588 1.00 61.51 H new ATOM 0 HA HIS A 36 11.106 16.092 -31.400 1.00 24.00 H new ATOM 0 HB2 HIS A 36 8.720 17.286 -29.936 1.00 71.43 H new ATOM 0 HB3 HIS A 36 10.395 17.610 -29.533 1.00 71.43 H new ATOM 0 HD2 HIS A 36 11.555 18.220 -32.552 1.00 30.42 H new ATOM 0 HE1 HIS A 36 8.473 21.131 -32.716 1.00 24.14 H new ATOM 0 HE2 HIS A 36 10.667 20.358 -33.750 1.00 24.32 H new ATOM 565 N GLU A 37 11.440 14.631 -29.422 1.00 43.34 N ATOM 566 CA GLU A 37 11.661 13.653 -28.364 1.00 71.42 C ATOM 567 C GLU A 37 11.827 14.341 -27.013 1.00 25.15 C ATOM 568 O GLU A 37 12.571 15.314 -26.886 1.00 51.13 O ATOM 569 CB GLU A 37 12.897 12.805 -28.673 1.00 34.42 C ATOM 570 CG GLU A 37 14.196 13.592 -28.653 1.00 53.41 C ATOM 571 CD GLU A 37 15.177 13.126 -29.711 1.00 30.00 C ATOM 572 OE1 GLU A 37 15.142 11.929 -30.065 1.00 23.44 O ATOM 573 OE2 GLU A 37 15.979 13.957 -30.185 1.00 1.32 O ATOM 0 H GLU A 37 12.294 15.021 -29.821 1.00 43.34 H new ATOM 0 HA GLU A 37 10.787 13.004 -28.316 1.00 71.42 H new ATOM 0 HB2 GLU A 37 12.962 11.995 -27.947 1.00 34.42 H new ATOM 0 HB3 GLU A 37 12.776 12.345 -29.654 1.00 34.42 H new ATOM 0 HG2 GLU A 37 13.978 14.649 -28.805 1.00 53.41 H new ATOM 0 HG3 GLU A 37 14.657 13.500 -27.670 1.00 53.41 H new ATOM 580 N PHE A 38 11.129 13.829 -26.004 1.00 65.44 N ATOM 581 CA PHE A 38 11.198 14.394 -24.662 1.00 20.11 C ATOM 582 C PHE A 38 11.521 13.314 -23.633 1.00 14.41 C ATOM 583 O PHE A 38 10.704 12.433 -23.366 1.00 40.35 O ATOM 584 CB PHE A 38 9.876 15.076 -24.305 1.00 12.13 C ATOM 585 CG PHE A 38 9.348 15.967 -25.393 1.00 33.23 C ATOM 586 CD1 PHE A 38 10.094 17.041 -25.850 1.00 14.11 C ATOM 587 CD2 PHE A 38 8.105 15.730 -25.958 1.00 30.11 C ATOM 588 CE1 PHE A 38 9.611 17.863 -26.851 1.00 72.42 C ATOM 589 CE2 PHE A 38 7.617 16.548 -26.960 1.00 22.52 C ATOM 590 CZ PHE A 38 8.370 17.616 -27.406 1.00 64.11 C ATOM 0 H PHE A 38 10.509 13.024 -26.091 1.00 65.44 H new ATOM 0 HA PHE A 38 11.997 15.135 -24.647 1.00 20.11 H new ATOM 0 HB2 PHE A 38 9.132 14.312 -24.079 1.00 12.13 H new ATOM 0 HB3 PHE A 38 10.014 15.665 -23.398 1.00 12.13 H new ATOM 0 HD1 PHE A 38 11.064 17.238 -25.419 1.00 14.11 H new ATOM 0 HD2 PHE A 38 7.511 14.897 -25.612 1.00 30.11 H new ATOM 0 HE1 PHE A 38 10.203 18.697 -27.199 1.00 72.42 H new ATOM 0 HE2 PHE A 38 6.648 16.352 -27.394 1.00 22.52 H new ATOM 0 HZ PHE A 38 7.990 18.257 -28.187 1.00 64.11 H new ATOM 600 N GLU A 39 12.717 13.391 -23.059 1.00 63.21 N ATOM 601 CA GLU A 39 13.148 12.419 -22.061 1.00 4.44 C ATOM 602 C GLU A 39 12.689 12.833 -20.665 1.00 71.14 C ATOM 603 O GLU A 39 13.241 13.755 -20.066 1.00 2.34 O ATOM 604 CB GLU A 39 14.671 12.271 -22.085 1.00 1.30 C ATOM 605 CG GLU A 39 15.176 11.051 -21.333 1.00 40.14 C ATOM 606 CD GLU A 39 16.646 10.778 -21.585 1.00 4.45 C ATOM 607 OE1 GLU A 39 17.143 11.151 -22.668 1.00 72.51 O ATOM 608 OE2 GLU A 39 17.301 10.193 -20.696 1.00 74.33 O ATOM 0 H GLU A 39 13.404 14.115 -23.267 1.00 63.21 H new ATOM 0 HA GLU A 39 12.693 11.459 -22.306 1.00 4.44 H new ATOM 0 HB2 GLU A 39 15.006 12.213 -23.121 1.00 1.30 H new ATOM 0 HB3 GLU A 39 15.121 13.165 -21.654 1.00 1.30 H new ATOM 0 HG2 GLU A 39 15.015 11.195 -20.265 1.00 40.14 H new ATOM 0 HG3 GLU A 39 14.592 10.179 -21.629 1.00 40.14 H new ATOM 615 N VAL A 40 11.673 12.144 -20.155 1.00 24.33 N ATOM 616 CA VAL A 40 11.139 12.438 -18.830 1.00 70.25 C ATOM 617 C VAL A 40 11.643 11.434 -17.799 1.00 51.52 C ATOM 618 O VAL A 40 11.982 10.301 -18.137 1.00 25.03 O ATOM 619 CB VAL A 40 9.599 12.427 -18.832 1.00 32.54 C ATOM 620 CG1 VAL A 40 9.058 13.466 -19.802 1.00 33.42 C ATOM 621 CG2 VAL A 40 9.077 11.040 -19.177 1.00 32.03 C ATOM 0 H VAL A 40 11.203 11.379 -20.639 1.00 24.33 H new ATOM 0 HA VAL A 40 11.488 13.435 -18.561 1.00 70.25 H new ATOM 0 HB VAL A 40 9.250 12.683 -17.832 1.00 32.54 H new ATOM 0 HG11 VAL A 40 7.968 13.443 -19.789 1.00 33.42 H new ATOM 0 HG12 VAL A 40 9.404 14.456 -19.505 1.00 33.42 H new ATOM 0 HG13 VAL A 40 9.414 13.245 -20.808 1.00 33.42 H new ATOM 0 HG21 VAL A 40 7.987 11.050 -19.174 1.00 32.03 H new ATOM 0 HG22 VAL A 40 9.434 10.752 -20.166 1.00 32.03 H new ATOM 0 HG23 VAL A 40 9.435 10.322 -18.439 1.00 32.03 H new ATOM 631 N GLU A 41 11.688 11.860 -16.540 1.00 70.15 N ATOM 632 CA GLU A 41 12.151 10.998 -15.460 1.00 21.44 C ATOM 633 C GLU A 41 11.001 10.629 -14.527 1.00 71.20 C ATOM 634 O GLU A 41 10.310 11.501 -14.002 1.00 14.01 O ATOM 635 CB GLU A 41 13.263 11.688 -14.667 1.00 42.23 C ATOM 636 CG GLU A 41 13.665 10.943 -13.406 1.00 35.24 C ATOM 637 CD GLU A 41 15.156 10.677 -13.334 1.00 53.04 C ATOM 638 OE1 GLU A 41 15.922 11.643 -13.139 1.00 25.11 O ATOM 639 OE2 GLU A 41 15.556 9.502 -13.474 1.00 54.11 O ATOM 0 H GLU A 41 11.410 12.796 -16.244 1.00 70.15 H new ATOM 0 HA GLU A 41 12.545 10.083 -15.904 1.00 21.44 H new ATOM 0 HB2 GLU A 41 14.138 11.800 -15.307 1.00 42.23 H new ATOM 0 HB3 GLU A 41 12.935 12.692 -14.397 1.00 42.23 H new ATOM 0 HG2 GLU A 41 13.361 11.522 -12.534 1.00 35.24 H new ATOM 0 HG3 GLU A 41 13.128 9.995 -13.362 1.00 35.24 H new ATOM 646 N ALA A 42 10.802 9.330 -14.327 1.00 4.11 N ATOM 647 CA ALA A 42 9.738 8.845 -13.457 1.00 52.13 C ATOM 648 C ALA A 42 10.291 8.401 -12.108 1.00 21.34 C ATOM 649 O ALA A 42 11.056 7.440 -12.024 1.00 61.32 O ATOM 650 CB ALA A 42 8.990 7.701 -14.126 1.00 62.00 C ATOM 0 H ALA A 42 11.364 8.595 -14.756 1.00 4.11 H new ATOM 0 HA ALA A 42 9.043 9.666 -13.282 1.00 52.13 H new ATOM 0 HB1 ALA A 42 8.198 7.348 -13.465 1.00 62.00 H new ATOM 0 HB2 ALA A 42 8.553 8.050 -15.062 1.00 62.00 H new ATOM 0 HB3 ALA A 42 9.682 6.884 -14.331 1.00 62.00 H new ATOM 656 N LYS A 43 9.900 9.107 -11.052 1.00 22.51 N ATOM 657 CA LYS A 43 10.356 8.785 -9.705 1.00 2.23 C ATOM 658 C LYS A 43 9.187 8.366 -8.820 1.00 74.31 C ATOM 659 O LYS A 43 9.362 7.622 -7.855 1.00 13.03 O ATOM 660 CB LYS A 43 11.072 9.988 -9.086 1.00 13.22 C ATOM 661 CG LYS A 43 12.583 9.842 -9.045 1.00 50.11 C ATOM 662 CD LYS A 43 13.124 10.031 -7.638 1.00 32.13 C ATOM 663 CE LYS A 43 14.642 10.116 -7.631 1.00 4.41 C ATOM 664 NZ LYS A 43 15.120 11.465 -7.219 1.00 42.44 N ATOM 0 H LYS A 43 9.268 9.906 -11.103 1.00 22.51 H new ATOM 0 HA LYS A 43 11.053 7.950 -9.775 1.00 2.23 H new ATOM 0 HB2 LYS A 43 10.817 10.883 -9.653 1.00 13.22 H new ATOM 0 HB3 LYS A 43 10.702 10.138 -8.072 1.00 13.22 H new ATOM 0 HG2 LYS A 43 12.864 8.856 -9.414 1.00 50.11 H new ATOM 0 HG3 LYS A 43 13.038 10.574 -9.712 1.00 50.11 H new ATOM 0 HD2 LYS A 43 12.706 10.940 -7.205 1.00 32.13 H new ATOM 0 HD3 LYS A 43 12.802 9.201 -7.009 1.00 32.13 H new ATOM 0 HE2 LYS A 43 15.045 9.365 -6.952 1.00 4.41 H new ATOM 0 HE3 LYS A 43 15.023 9.884 -8.625 1.00 4.41 H new ATOM 0 HZ1 LYS A 43 16.160 11.482 -7.227 1.00 42.44 H new ATOM 0 HZ2 LYS A 43 14.757 12.179 -7.882 1.00 42.44 H new ATOM 0 HZ3 LYS A 43 14.778 11.677 -6.260 1.00 42.44 H new ATOM 678 N ASP A 44 7.994 8.846 -9.156 1.00 65.34 N ATOM 679 CA ASP A 44 6.795 8.518 -8.394 1.00 4.11 C ATOM 680 C ASP A 44 5.568 9.197 -8.993 1.00 72.04 C ATOM 681 O ASP A 44 5.655 9.853 -10.031 1.00 71.52 O ATOM 682 CB ASP A 44 6.963 8.938 -6.933 1.00 5.41 C ATOM 683 CG ASP A 44 7.553 10.328 -6.795 1.00 12.45 C ATOM 684 OD1 ASP A 44 7.132 11.229 -7.550 1.00 72.22 O ATOM 685 OD2 ASP A 44 8.436 10.516 -5.931 1.00 73.41 O ATOM 0 H ASP A 44 7.832 9.464 -9.951 1.00 65.34 H new ATOM 0 HA ASP A 44 6.649 7.439 -8.439 1.00 4.11 H new ATOM 0 HB2 ASP A 44 5.994 8.907 -6.435 1.00 5.41 H new ATOM 0 HB3 ASP A 44 7.607 8.221 -6.423 1.00 5.41 H new ATOM 690 N GLN A 45 4.426 9.034 -8.333 1.00 71.20 N ATOM 691 CA GLN A 45 3.181 9.630 -8.802 1.00 73.44 C ATOM 692 C GLN A 45 3.356 11.122 -9.063 1.00 14.23 C ATOM 693 O GLN A 45 2.691 11.693 -9.926 1.00 43.43 O ATOM 694 CB GLN A 45 2.066 9.406 -7.779 1.00 71.53 C ATOM 695 CG GLN A 45 2.332 10.065 -6.436 1.00 13.23 C ATOM 696 CD GLN A 45 1.155 9.951 -5.487 1.00 0.13 C ATOM 697 OE1 GLN A 45 0.128 9.360 -5.821 1.00 20.30 O ATOM 698 NE2 GLN A 45 1.299 10.518 -4.295 1.00 15.24 N ATOM 0 H GLN A 45 4.337 8.494 -7.472 1.00 71.20 H new ATOM 0 HA GLN A 45 2.907 9.146 -9.739 1.00 73.44 H new ATOM 0 HB2 GLN A 45 1.130 9.791 -8.184 1.00 71.53 H new ATOM 0 HB3 GLN A 45 1.932 8.335 -7.629 1.00 71.53 H new ATOM 0 HG2 GLN A 45 3.209 9.607 -5.978 1.00 13.23 H new ATOM 0 HG3 GLN A 45 2.567 11.118 -6.592 1.00 13.23 H new ATOM 0 HE21 GLN A 45 2.168 10.998 -4.060 1.00 15.24 H new ATOM 0 HE22 GLN A 45 0.541 10.474 -3.614 1.00 15.24 H new ATOM 707 N ASN A 46 4.254 11.748 -8.309 1.00 60.12 N ATOM 708 CA ASN A 46 4.516 13.175 -8.458 1.00 74.01 C ATOM 709 C ASN A 46 5.433 13.439 -9.649 1.00 35.35 C ATOM 710 O ASN A 46 6.646 13.581 -9.492 1.00 73.14 O ATOM 711 CB ASN A 46 5.145 13.735 -7.181 1.00 42.21 C ATOM 712 CG ASN A 46 4.273 13.513 -5.961 1.00 14.32 C ATOM 713 OD1 ASN A 46 4.199 12.405 -5.430 1.00 11.12 O ATOM 714 ND2 ASN A 46 3.606 14.570 -5.510 1.00 71.24 N ATOM 0 H ASN A 46 4.812 11.290 -7.589 1.00 60.12 H new ATOM 0 HA ASN A 46 3.565 13.677 -8.637 1.00 74.01 H new ATOM 0 HB2 ASN A 46 6.115 13.265 -7.021 1.00 42.21 H new ATOM 0 HB3 ASN A 46 5.325 14.803 -7.306 1.00 42.21 H new ATOM 0 HD21 ASN A 46 3.003 14.482 -4.692 1.00 71.24 H new ATOM 0 HD22 ASN A 46 3.697 15.470 -5.982 1.00 71.24 H new ATOM 721 N CYS A 47 4.844 13.503 -10.838 1.00 45.44 N ATOM 722 CA CYS A 47 5.607 13.750 -12.056 1.00 52.23 C ATOM 723 C CYS A 47 5.386 15.175 -12.557 1.00 71.41 C ATOM 724 O CYS A 47 4.263 15.681 -12.549 1.00 65.43 O ATOM 725 CB CYS A 47 5.210 12.749 -13.143 1.00 22.32 C ATOM 726 SG CYS A 47 5.858 11.067 -12.876 1.00 34.11 S ATOM 0 H CYS A 47 3.841 13.387 -10.984 1.00 45.44 H new ATOM 0 HA CYS A 47 6.665 13.625 -11.824 1.00 52.23 H new ATOM 0 HB2 CYS A 47 4.122 12.703 -13.200 1.00 22.32 H new ATOM 0 HB3 CYS A 47 5.565 13.115 -14.106 1.00 22.32 H new ATOM 731 N LYS A 48 6.465 15.817 -12.993 1.00 34.45 N ATOM 732 CA LYS A 48 6.391 17.182 -13.499 1.00 33.02 C ATOM 733 C LYS A 48 7.060 17.293 -14.865 1.00 30.40 C ATOM 734 O LYS A 48 8.129 16.725 -15.092 1.00 11.54 O ATOM 735 CB LYS A 48 7.053 18.149 -12.515 1.00 12.21 C ATOM 736 CG LYS A 48 8.547 17.929 -12.358 1.00 24.31 C ATOM 737 CD LYS A 48 9.055 18.472 -11.033 1.00 1.31 C ATOM 738 CE LYS A 48 10.439 19.087 -11.176 1.00 70.01 C ATOM 739 NZ LYS A 48 11.216 19.006 -9.908 1.00 71.33 N ATOM 0 H LYS A 48 7.402 15.413 -13.006 1.00 34.45 H new ATOM 0 HA LYS A 48 5.339 17.446 -13.607 1.00 33.02 H new ATOM 0 HB2 LYS A 48 6.878 19.171 -12.850 1.00 12.21 H new ATOM 0 HB3 LYS A 48 6.575 18.047 -11.541 1.00 12.21 H new ATOM 0 HG2 LYS A 48 8.768 16.864 -12.424 1.00 24.31 H new ATOM 0 HG3 LYS A 48 9.075 18.415 -13.178 1.00 24.31 H new ATOM 0 HD2 LYS A 48 8.360 19.222 -10.655 1.00 1.31 H new ATOM 0 HD3 LYS A 48 9.087 17.668 -10.298 1.00 1.31 H new ATOM 0 HE2 LYS A 48 10.984 18.575 -11.969 1.00 70.01 H new ATOM 0 HE3 LYS A 48 10.343 20.130 -11.477 1.00 70.01 H new ATOM 0 HZ1 LYS A 48 12.153 19.436 -10.047 1.00 71.33 H new ATOM 0 HZ2 LYS A 48 10.709 19.516 -9.157 1.00 71.33 H new ATOM 0 HZ3 LYS A 48 11.329 18.009 -9.633 1.00 71.33 H new ATOM 753 N VAL A 49 6.425 18.028 -15.772 1.00 71.23 N ATOM 754 CA VAL A 49 6.960 18.215 -17.115 1.00 44.05 C ATOM 755 C VAL A 49 8.394 18.730 -17.068 1.00 45.25 C ATOM 756 O VAL A 49 8.631 19.916 -16.834 1.00 24.54 O ATOM 757 CB VAL A 49 6.100 19.198 -17.931 1.00 13.32 C ATOM 758 CG1 VAL A 49 4.812 18.530 -18.387 1.00 30.40 C ATOM 759 CG2 VAL A 49 5.802 20.447 -17.115 1.00 54.43 C ATOM 0 H VAL A 49 5.539 18.504 -15.601 1.00 71.23 H new ATOM 0 HA VAL A 49 6.942 17.239 -17.601 1.00 44.05 H new ATOM 0 HB VAL A 49 6.660 19.495 -18.818 1.00 13.32 H new ATOM 0 HG11 VAL A 49 4.218 19.240 -18.962 1.00 30.40 H new ATOM 0 HG12 VAL A 49 5.050 17.668 -19.010 1.00 30.40 H new ATOM 0 HG13 VAL A 49 4.244 18.203 -17.516 1.00 30.40 H new ATOM 0 HG21 VAL A 49 5.193 21.131 -17.706 1.00 54.43 H new ATOM 0 HG22 VAL A 49 5.261 20.170 -16.210 1.00 54.43 H new ATOM 0 HG23 VAL A 49 6.738 20.936 -16.843 1.00 54.43 H new ATOM 769 N ILE A 50 9.347 17.832 -17.294 1.00 5.22 N ATOM 770 CA ILE A 50 10.759 18.197 -17.279 1.00 33.42 C ATOM 771 C ILE A 50 11.581 17.245 -18.141 1.00 43.54 C ATOM 772 O ILE A 50 11.231 16.076 -18.302 1.00 60.45 O ATOM 773 CB ILE A 50 11.326 18.193 -15.847 1.00 12.51 C ATOM 774 CG1 ILE A 50 12.730 18.802 -15.830 1.00 33.44 C ATOM 775 CG2 ILE A 50 11.349 16.778 -15.289 1.00 52.15 C ATOM 776 CD1 ILE A 50 13.114 19.398 -14.493 1.00 74.44 C ATOM 0 H ILE A 50 9.168 16.847 -17.490 1.00 5.22 H new ATOM 0 HA ILE A 50 10.829 19.206 -17.686 1.00 33.42 H new ATOM 0 HB ILE A 50 10.679 18.800 -15.214 1.00 12.51 H new ATOM 0 HG12 ILE A 50 13.454 18.033 -16.097 1.00 33.44 H new ATOM 0 HG13 ILE A 50 12.791 19.576 -16.595 1.00 33.44 H new ATOM 0 HG21 ILE A 50 11.752 16.793 -14.276 1.00 52.15 H new ATOM 0 HG22 ILE A 50 10.335 16.378 -15.270 1.00 52.15 H new ATOM 0 HG23 ILE A 50 11.976 16.148 -15.920 1.00 52.15 H new ATOM 0 HD11 ILE A 50 14.121 19.811 -14.554 1.00 74.44 H new ATOM 0 HD12 ILE A 50 12.412 20.190 -14.233 1.00 74.44 H new ATOM 0 HD13 ILE A 50 13.086 18.623 -13.727 1.00 74.44 H new ATOM 788 N LEU A 51 12.678 17.754 -18.693 1.00 14.22 N ATOM 789 CA LEU A 51 13.553 16.950 -19.538 1.00 72.43 C ATOM 790 C LEU A 51 14.857 16.624 -18.817 1.00 70.45 C ATOM 791 O LEU A 51 15.346 17.412 -18.008 1.00 1.22 O ATOM 792 CB LEU A 51 13.850 17.686 -20.846 1.00 13.03 C ATOM 793 CG LEU A 51 12.637 18.040 -21.707 1.00 71.32 C ATOM 794 CD1 LEU A 51 12.895 19.315 -22.495 1.00 30.15 C ATOM 795 CD2 LEU A 51 12.296 16.891 -22.645 1.00 41.15 C ATOM 0 H LEU A 51 12.982 18.720 -18.570 1.00 14.22 H new ATOM 0 HA LEU A 51 13.040 16.015 -19.763 1.00 72.43 H new ATOM 0 HB2 LEU A 51 14.383 18.607 -20.609 1.00 13.03 H new ATOM 0 HB3 LEU A 51 14.525 17.071 -21.441 1.00 13.03 H new ATOM 0 HG LEU A 51 11.785 18.211 -21.048 1.00 71.32 H new ATOM 0 HD11 LEU A 51 12.021 19.551 -23.102 1.00 30.15 H new ATOM 0 HD12 LEU A 51 13.090 20.136 -21.805 1.00 30.15 H new ATOM 0 HD13 LEU A 51 13.759 19.173 -23.144 1.00 30.15 H new ATOM 0 HD21 LEU A 51 11.430 17.160 -23.250 1.00 41.15 H new ATOM 0 HD22 LEU A 51 13.146 16.689 -23.297 1.00 41.15 H new ATOM 0 HD23 LEU A 51 12.067 16.000 -22.061 1.00 41.15 H new ATOM 807 N THR A 52 15.418 15.456 -19.118 1.00 52.45 N ATOM 808 CA THR A 52 16.666 15.026 -18.501 1.00 13.23 C ATOM 809 C THR A 52 17.859 15.761 -19.101 1.00 54.21 C ATOM 810 O THR A 52 18.987 15.619 -18.632 1.00 40.24 O ATOM 811 CB THR A 52 16.878 13.509 -18.661 1.00 62.01 C ATOM 812 OG1 THR A 52 16.767 13.142 -20.041 1.00 35.13 O ATOM 813 CG2 THR A 52 15.862 12.730 -17.840 1.00 54.30 C ATOM 0 H THR A 52 15.027 14.791 -19.786 1.00 52.45 H new ATOM 0 HA THR A 52 16.592 15.265 -17.440 1.00 13.23 H new ATOM 0 HB THR A 52 17.877 13.264 -18.299 1.00 62.01 H new ATOM 0 HG1 THR A 52 17.663 13.043 -20.426 1.00 35.13 H new ATOM 0 HG21 THR A 52 16.032 11.661 -17.969 1.00 54.30 H new ATOM 0 HG22 THR A 52 15.969 12.990 -16.787 1.00 54.30 H new ATOM 0 HG23 THR A 52 14.855 12.980 -18.175 1.00 54.30 H new ATOM 821 N ASN A 53 17.601 16.548 -20.141 1.00 33.20 N ATOM 822 CA ASN A 53 18.654 17.306 -20.806 1.00 25.13 C ATOM 823 C ASN A 53 18.725 18.730 -20.264 1.00 13.24 C ATOM 824 O ASN A 53 19.082 19.662 -20.983 1.00 12.45 O ATOM 825 CB ASN A 53 18.415 17.335 -22.317 1.00 22.43 C ATOM 826 CG ASN A 53 17.832 16.034 -22.834 1.00 50.05 C ATOM 827 OD1 ASN A 53 18.204 14.951 -22.383 1.00 32.21 O ATOM 828 ND2 ASN A 53 16.913 16.136 -23.788 1.00 31.04 N ATOM 0 H ASN A 53 16.672 16.677 -20.541 1.00 33.20 H new ATOM 0 HA ASN A 53 19.604 16.812 -20.605 1.00 25.13 H new ATOM 0 HB2 ASN A 53 17.739 18.155 -22.560 1.00 22.43 H new ATOM 0 HB3 ASN A 53 19.357 17.536 -22.827 1.00 22.43 H new ATOM 0 HD21 ASN A 53 16.486 15.295 -24.176 1.00 31.04 H new ATOM 0 HD22 ASN A 53 16.635 17.055 -24.132 1.00 31.04 H new ATOM 835 N GLY A 54 18.381 18.890 -18.989 1.00 5.21 N ATOM 836 CA GLY A 54 18.413 20.203 -18.371 1.00 53.25 C ATOM 837 C GLY A 54 17.472 21.183 -19.045 1.00 22.13 C ATOM 838 O GLY A 54 17.618 22.397 -18.898 1.00 23.41 O ATOM 0 H GLY A 54 18.081 18.134 -18.374 1.00 5.21 H new ATOM 0 HA2 GLY A 54 18.146 20.112 -17.318 1.00 53.25 H new ATOM 0 HA3 GLY A 54 19.429 20.595 -18.409 1.00 53.25 H new ATOM 842 N LYS A 55 16.504 20.656 -19.787 1.00 42.51 N ATOM 843 CA LYS A 55 15.535 21.492 -20.487 1.00 5.03 C ATOM 844 C LYS A 55 14.148 21.350 -19.869 1.00 1.32 C ATOM 845 O LYS A 55 13.855 20.359 -19.201 1.00 4.34 O ATOM 846 CB LYS A 55 15.485 21.118 -21.970 1.00 5.02 C ATOM 847 CG LYS A 55 16.694 21.592 -22.758 1.00 2.42 C ATOM 848 CD LYS A 55 16.498 21.395 -24.252 1.00 4.23 C ATOM 849 CE LYS A 55 17.642 22.003 -25.049 1.00 4.12 C ATOM 850 NZ LYS A 55 17.409 21.906 -26.516 1.00 54.43 N ATOM 0 H LYS A 55 16.369 19.654 -19.919 1.00 42.51 H new ATOM 0 HA LYS A 55 15.852 22.531 -20.391 1.00 5.03 H new ATOM 0 HB2 LYS A 55 15.405 20.035 -22.060 1.00 5.02 H new ATOM 0 HB3 LYS A 55 14.584 21.542 -22.413 1.00 5.02 H new ATOM 0 HG2 LYS A 55 16.875 22.647 -22.550 1.00 2.42 H new ATOM 0 HG3 LYS A 55 17.579 21.046 -22.431 1.00 2.42 H new ATOM 0 HD2 LYS A 55 16.425 20.330 -24.473 1.00 4.23 H new ATOM 0 HD3 LYS A 55 15.557 21.850 -24.560 1.00 4.23 H new ATOM 0 HE2 LYS A 55 17.764 23.049 -24.769 1.00 4.12 H new ATOM 0 HE3 LYS A 55 18.572 21.495 -24.795 1.00 4.12 H new ATOM 0 HZ1 LYS A 55 18.211 22.331 -27.024 1.00 54.43 H new ATOM 0 HZ2 LYS A 55 17.318 20.906 -26.788 1.00 54.43 H new ATOM 0 HZ3 LYS A 55 16.535 22.413 -26.763 1.00 54.43 H new ATOM 864 N GLN A 56 13.299 22.346 -20.098 1.00 54.51 N ATOM 865 CA GLN A 56 11.942 22.331 -19.564 1.00 10.01 C ATOM 866 C GLN A 56 10.915 22.259 -20.689 1.00 33.31 C ATOM 867 O GLN A 56 11.023 22.969 -21.688 1.00 64.53 O ATOM 868 CB GLN A 56 11.693 23.575 -18.710 1.00 4.34 C ATOM 869 CG GLN A 56 11.905 24.881 -19.460 1.00 33.52 C ATOM 870 CD GLN A 56 13.014 25.724 -18.863 1.00 22.31 C ATOM 871 OE1 GLN A 56 12.787 26.855 -18.432 1.00 71.41 O ATOM 872 NE2 GLN A 56 14.224 25.177 -18.834 1.00 72.41 N ATOM 0 H GLN A 56 13.526 23.173 -20.649 1.00 54.51 H new ATOM 0 HA GLN A 56 11.834 21.443 -18.941 1.00 10.01 H new ATOM 0 HB2 GLN A 56 10.672 23.546 -18.330 1.00 4.34 H new ATOM 0 HB3 GLN A 56 12.356 23.551 -17.845 1.00 4.34 H new ATOM 0 HG2 GLN A 56 12.140 24.663 -20.502 1.00 33.52 H new ATOM 0 HG3 GLN A 56 10.977 25.453 -19.456 1.00 33.52 H new ATOM 0 HE21 GLN A 56 14.368 24.237 -19.202 1.00 72.41 H new ATOM 0 HE22 GLN A 56 15.010 25.697 -18.444 1.00 72.41 H new ATOM 881 N ALA A 57 9.918 21.396 -20.519 1.00 42.00 N ATOM 882 CA ALA A 57 8.871 21.232 -21.519 1.00 53.33 C ATOM 883 C ALA A 57 8.260 22.577 -21.900 1.00 32.33 C ATOM 884 O ALA A 57 8.373 23.565 -21.174 1.00 63.11 O ATOM 885 CB ALA A 57 7.794 20.287 -21.006 1.00 41.42 C ATOM 0 H ALA A 57 9.814 20.800 -19.698 1.00 42.00 H new ATOM 0 HA ALA A 57 9.321 20.801 -22.413 1.00 53.33 H new ATOM 0 HB1 ALA A 57 7.018 20.174 -21.763 1.00 41.42 H new ATOM 0 HB2 ALA A 57 8.236 19.314 -20.791 1.00 41.42 H new ATOM 0 HB3 ALA A 57 7.355 20.695 -20.096 1.00 41.42 H new ATOM 891 N PRO A 58 7.597 22.618 -23.065 1.00 33.22 N ATOM 892 CA PRO A 58 6.955 23.836 -23.568 1.00 11.01 C ATOM 893 C PRO A 58 5.732 24.229 -22.746 1.00 23.02 C ATOM 894 O PRO A 58 5.474 23.656 -21.687 1.00 72.23 O ATOM 895 CB PRO A 58 6.542 23.457 -24.992 1.00 43.24 C ATOM 896 CG PRO A 58 6.398 21.975 -24.963 1.00 73.34 C ATOM 897 CD PRO A 58 7.422 21.478 -23.981 1.00 12.03 C ATOM 0 HA PRO A 58 7.620 24.698 -23.517 1.00 11.01 H new ATOM 0 HB2 PRO A 58 5.607 23.940 -25.275 1.00 43.24 H new ATOM 0 HB3 PRO A 58 7.293 23.768 -25.718 1.00 43.24 H new ATOM 0 HG2 PRO A 58 5.392 21.687 -24.657 1.00 73.34 H new ATOM 0 HG3 PRO A 58 6.566 21.547 -25.951 1.00 73.34 H new ATOM 0 HD2 PRO A 58 7.075 20.589 -23.454 1.00 12.03 H new ATOM 0 HD3 PRO A 58 8.357 21.212 -24.475 1.00 12.03 H new ATOM 905 N ASP A 59 4.983 25.209 -23.239 1.00 63.24 N ATOM 906 CA ASP A 59 3.786 25.677 -22.551 1.00 3.32 C ATOM 907 C ASP A 59 2.589 24.790 -22.878 1.00 0.32 C ATOM 908 O ASP A 59 1.557 24.854 -22.210 1.00 73.42 O ATOM 909 CB ASP A 59 3.484 27.126 -22.937 1.00 50.00 C ATOM 910 CG ASP A 59 3.894 28.110 -21.859 1.00 51.11 C ATOM 911 OD1 ASP A 59 3.660 27.817 -20.668 1.00 1.14 O ATOM 912 OD2 ASP A 59 4.449 29.173 -22.207 1.00 23.02 O ATOM 0 H ASP A 59 5.184 25.695 -24.113 1.00 63.24 H new ATOM 0 HA ASP A 59 3.970 25.626 -21.478 1.00 3.32 H new ATOM 0 HB2 ASP A 59 4.005 27.368 -23.863 1.00 50.00 H new ATOM 0 HB3 ASP A 59 2.417 27.232 -23.134 1.00 50.00 H new ATOM 917 N TRP A 60 2.734 23.966 -23.909 1.00 24.23 N ATOM 918 CA TRP A 60 1.664 23.067 -24.325 1.00 21.42 C ATOM 919 C TRP A 60 1.960 21.633 -23.897 1.00 0.40 C ATOM 920 O TRP A 60 1.433 20.681 -24.474 1.00 41.32 O ATOM 921 CB TRP A 60 1.477 23.131 -25.842 1.00 30.15 C ATOM 922 CG TRP A 60 2.758 22.982 -26.605 1.00 2.21 C ATOM 923 CD1 TRP A 60 3.632 23.977 -26.941 1.00 70.50 C ATOM 924 CD2 TRP A 60 3.308 21.768 -27.129 1.00 12.35 C ATOM 925 NE1 TRP A 60 4.692 23.454 -27.642 1.00 72.31 N ATOM 926 CE2 TRP A 60 4.517 22.101 -27.770 1.00 1.23 C ATOM 927 CE3 TRP A 60 2.897 20.433 -27.116 1.00 64.44 C ATOM 928 CZ2 TRP A 60 5.316 21.146 -28.392 1.00 44.35 C ATOM 929 CZ3 TRP A 60 3.692 19.486 -27.735 1.00 53.12 C ATOM 930 CH2 TRP A 60 4.890 19.846 -28.365 1.00 43.25 C ATOM 0 H TRP A 60 3.582 23.902 -24.472 1.00 24.23 H new ATOM 0 HA TRP A 60 0.743 23.389 -23.838 1.00 21.42 H new ATOM 0 HB2 TRP A 60 0.786 22.346 -26.149 1.00 30.15 H new ATOM 0 HB3 TRP A 60 1.015 24.083 -26.104 1.00 30.15 H new ATOM 0 HD1 TRP A 60 3.508 25.021 -26.692 1.00 70.50 H new ATOM 0 HE1 TRP A 60 5.481 23.987 -28.008 1.00 72.31 H new ATOM 0 HE3 TRP A 60 1.975 20.146 -26.632 1.00 64.44 H new ATOM 0 HZ2 TRP A 60 6.240 21.421 -28.879 1.00 44.35 H new ATOM 0 HZ3 TRP A 60 3.384 18.451 -27.733 1.00 53.12 H new ATOM 0 HH2 TRP A 60 5.489 19.083 -28.839 1.00 43.25 H new ATOM 941 N LEU A 61 2.805 21.486 -22.883 1.00 21.03 N ATOM 942 CA LEU A 61 3.171 20.167 -22.377 1.00 51.31 C ATOM 943 C LEU A 61 2.679 19.977 -20.946 1.00 2.32 C ATOM 944 O LEU A 61 2.756 20.892 -20.126 1.00 52.01 O ATOM 945 CB LEU A 61 4.688 19.979 -22.437 1.00 12.44 C ATOM 946 CG LEU A 61 5.186 18.809 -23.285 1.00 44.22 C ATOM 947 CD1 LEU A 61 4.487 17.521 -22.881 1.00 72.32 C ATOM 948 CD2 LEU A 61 4.972 19.094 -24.765 1.00 34.44 C ATOM 0 H LEU A 61 3.250 22.263 -22.395 1.00 21.03 H new ATOM 0 HA LEU A 61 2.693 19.417 -23.008 1.00 51.31 H new ATOM 0 HB2 LEU A 61 5.133 20.896 -22.823 1.00 12.44 H new ATOM 0 HB3 LEU A 61 5.058 19.848 -21.420 1.00 12.44 H new ATOM 0 HG LEU A 61 6.255 18.687 -23.110 1.00 44.22 H new ATOM 0 HD11 LEU A 61 4.855 16.699 -23.496 1.00 72.32 H new ATOM 0 HD12 LEU A 61 4.692 17.309 -21.832 1.00 72.32 H new ATOM 0 HD13 LEU A 61 3.412 17.630 -23.026 1.00 72.32 H new ATOM 0 HD21 LEU A 61 5.332 18.250 -25.354 1.00 34.44 H new ATOM 0 HD22 LEU A 61 3.909 19.243 -24.957 1.00 34.44 H new ATOM 0 HD23 LEU A 61 5.521 19.993 -25.045 1.00 34.44 H new ATOM 960 N ALA A 62 2.176 18.783 -20.652 1.00 62.21 N ATOM 961 CA ALA A 62 1.676 18.471 -19.319 1.00 1.32 C ATOM 962 C ALA A 62 1.868 16.994 -18.992 1.00 13.21 C ATOM 963 O ALA A 62 2.302 16.213 -19.838 1.00 33.23 O ATOM 964 CB ALA A 62 0.208 18.853 -19.203 1.00 51.32 C ATOM 0 H ALA A 62 2.104 18.015 -21.320 1.00 62.21 H new ATOM 0 HA ALA A 62 2.249 19.053 -18.598 1.00 1.32 H new ATOM 0 HB1 ALA A 62 -0.152 18.614 -18.202 1.00 51.32 H new ATOM 0 HB2 ALA A 62 0.095 19.922 -19.384 1.00 51.32 H new ATOM 0 HB3 ALA A 62 -0.372 18.297 -19.939 1.00 51.32 H new ATOM 970 N ALA A 63 1.542 16.619 -17.759 1.00 70.34 N ATOM 971 CA ALA A 63 1.677 15.235 -17.322 1.00 22.14 C ATOM 972 C ALA A 63 0.726 14.928 -16.170 1.00 2.23 C ATOM 973 O ALA A 63 0.879 15.458 -15.070 1.00 30.24 O ATOM 974 CB ALA A 63 3.114 14.949 -16.912 1.00 65.14 C ATOM 0 H ALA A 63 1.183 17.254 -17.046 1.00 70.34 H new ATOM 0 HA ALA A 63 1.413 14.588 -18.159 1.00 22.14 H new ATOM 0 HB1 ALA A 63 3.200 13.912 -16.588 1.00 65.14 H new ATOM 0 HB2 ALA A 63 3.776 15.120 -17.761 1.00 65.14 H new ATOM 0 HB3 ALA A 63 3.397 15.610 -16.093 1.00 65.14 H new ATOM 980 N GLU A 64 -0.255 14.071 -16.431 1.00 34.50 N ATOM 981 CA GLU A 64 -1.232 13.695 -15.415 1.00 42.50 C ATOM 982 C GLU A 64 -0.934 12.305 -14.862 1.00 33.15 C ATOM 983 O GLU A 64 -0.229 11.503 -15.474 1.00 43.21 O ATOM 984 CB GLU A 64 -2.646 13.733 -15.997 1.00 74.20 C ATOM 985 CG GLU A 64 -3.337 15.076 -15.832 1.00 51.13 C ATOM 986 CD GLU A 64 -2.605 16.199 -16.540 1.00 44.50 C ATOM 987 OE1 GLU A 64 -2.900 16.443 -17.729 1.00 63.41 O ATOM 988 OE2 GLU A 64 -1.737 16.835 -15.906 1.00 22.12 O ATOM 0 H GLU A 64 -0.395 13.624 -17.337 1.00 34.50 H new ATOM 0 HA GLU A 64 -1.164 14.414 -14.598 1.00 42.50 H new ATOM 0 HB2 GLU A 64 -2.600 13.486 -17.058 1.00 74.20 H new ATOM 0 HB3 GLU A 64 -3.249 12.963 -15.516 1.00 74.20 H new ATOM 0 HG2 GLU A 64 -4.353 15.008 -16.221 1.00 51.13 H new ATOM 0 HG3 GLU A 64 -3.417 15.311 -14.771 1.00 51.13 H new ATOM 995 N PRO A 65 -1.484 12.011 -13.674 1.00 54.00 N ATOM 996 CA PRO A 65 -1.293 10.718 -13.011 1.00 65.20 C ATOM 997 C PRO A 65 -2.010 9.583 -13.734 1.00 52.44 C ATOM 998 O PRO A 65 -2.523 9.765 -14.839 1.00 33.12 O ATOM 999 CB PRO A 65 -1.901 10.937 -11.624 1.00 20.34 C ATOM 1000 CG PRO A 65 -2.898 12.027 -11.815 1.00 75.51 C ATOM 1001 CD PRO A 65 -2.337 12.918 -12.887 1.00 44.54 C ATOM 0 HA PRO A 65 -0.244 10.423 -12.990 1.00 65.20 H new ATOM 0 HB2 PRO A 65 -2.374 10.029 -11.251 1.00 20.34 H new ATOM 0 HB3 PRO A 65 -1.139 11.220 -10.898 1.00 20.34 H new ATOM 0 HG2 PRO A 65 -3.866 11.623 -12.111 1.00 75.51 H new ATOM 0 HG3 PRO A 65 -3.053 12.581 -10.889 1.00 75.51 H new ATOM 0 HD2 PRO A 65 -3.126 13.358 -13.497 1.00 44.54 H new ATOM 0 HD3 PRO A 65 -1.763 13.743 -12.464 1.00 44.54 H new ATOM 1009 N TYR A 66 -2.043 8.414 -13.105 1.00 62.03 N ATOM 1010 CA TYR A 66 -2.696 7.249 -13.690 1.00 52.24 C ATOM 1011 C TYR A 66 -4.207 7.311 -13.485 1.00 3.41 C ATOM 1012 O TYR A 66 -4.962 7.549 -14.426 1.00 65.23 O ATOM 1013 CB TYR A 66 -2.139 5.964 -13.076 1.00 73.34 C ATOM 1014 CG TYR A 66 -2.824 4.710 -13.572 1.00 22.11 C ATOM 1015 CD1 TYR A 66 -2.409 4.084 -14.741 1.00 31.23 C ATOM 1016 CD2 TYR A 66 -3.885 4.151 -12.870 1.00 70.14 C ATOM 1017 CE1 TYR A 66 -3.032 2.939 -15.197 1.00 72.44 C ATOM 1018 CE2 TYR A 66 -4.513 3.005 -13.319 1.00 12.12 C ATOM 1019 CZ TYR A 66 -4.084 2.403 -14.483 1.00 45.00 C ATOM 1020 OH TYR A 66 -4.706 1.262 -14.934 1.00 21.41 O ATOM 0 H TYR A 66 -1.625 8.248 -12.190 1.00 62.03 H new ATOM 0 HA TYR A 66 -2.493 7.250 -14.761 1.00 52.24 H new ATOM 0 HB2 TYR A 66 -1.074 5.898 -13.297 1.00 73.34 H new ATOM 0 HB3 TYR A 66 -2.237 6.017 -11.992 1.00 73.34 H new ATOM 0 HD1 TYR A 66 -1.585 4.500 -15.302 1.00 31.23 H new ATOM 0 HD2 TYR A 66 -4.224 4.620 -11.958 1.00 70.14 H new ATOM 0 HE1 TYR A 66 -2.697 2.465 -16.108 1.00 72.44 H new ATOM 0 HE2 TYR A 66 -5.336 2.583 -12.761 1.00 12.12 H new ATOM 0 HH TYR A 66 -5.426 1.016 -14.316 1.00 21.41 H new TER 1030 TYR A 66