USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 983 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 95 SER OG : rot -56:sc= 1.12 USER MOD Set 1.2: A 109 HIS :FLIP no HE2:sc= -0.429 F(o=-0.17,f=0.7) USER MOD Set 2.1: A 85 MET CE :methyl -112:sc= -2.66! (180deg=-4.08!) USER MOD Set 2.2: A 112 MET CE :methyl 146:sc= -2.83 (180deg=-3.83!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.932 (180deg=0.889) USER MOD Single : A 19 TYR OH : rot -2:sc= 0.798 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.441 USER MOD Single : A 29 ASN : amide:sc= 0.173 K(o=0.17,f=-4.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.896 USER MOD Single : A 43 GLN :FLIP amide:sc= -2.03 F(o=-3.5!,f=-2) USER MOD Single : A 47 GLN : amide:sc= 0.435 X(o=0.43,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.11! C(o=-5.2!,f=-4.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.96! C(o=-4!,f=-5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.57 F(o=-2.7!,f=-1.6) USER MOD Single : A 74 THR OG1 : rot 150:sc= 0.853 USER MOD Single : A 89 LYS NZ :NH3+ -172:sc=-0.00562 (180deg=-0.0786) USER MOD Single : A 90 GLN :FLIP amide:sc= 0.0289 F(o=-0.9,f=0.029) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -131:sc= -0.21 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.0272 F(o=-1.2!,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -14.393 -4.047 5.612 1.00 74.11 N ATOM 51 CA ILE A 4 -13.445 -3.010 5.175 1.00 72.30 C ATOM 52 C ILE A 4 -13.928 -1.595 5.513 1.00 53.40 C ATOM 53 O ILE A 4 -14.792 -1.402 6.370 1.00 24.12 O ATOM 54 CB ILE A 4 -13.101 -3.115 3.657 1.00 62.24 C ATOM 55 CG1 ILE A 4 -14.340 -2.919 2.768 1.00 0.34 C ATOM 56 CG2 ILE A 4 -12.451 -4.459 3.365 1.00 71.54 C ATOM 57 CD1 ILE A 4 -14.043 -2.960 1.284 1.00 54.52 C ATOM 0 HA ILE A 4 -12.531 -3.197 5.739 1.00 72.30 H new ATOM 0 HB ILE A 4 -12.403 -2.312 3.420 1.00 62.24 H new ATOM 0 HG12 ILE A 4 -15.070 -3.693 3.004 1.00 0.34 H new ATOM 0 HG13 ILE A 4 -14.801 -1.961 3.010 1.00 0.34 H new ATOM 0 HG21 ILE A 4 -12.214 -4.525 2.303 1.00 71.54 H new ATOM 0 HG22 ILE A 4 -11.535 -4.555 3.948 1.00 71.54 H new ATOM 0 HG23 ILE A 4 -13.138 -5.261 3.634 1.00 71.54 H new ATOM 0 HD11 ILE A 4 -14.967 -2.814 0.724 1.00 54.52 H new ATOM 0 HD12 ILE A 4 -13.337 -2.168 1.032 1.00 54.52 H new ATOM 0 HD13 ILE A 4 -13.611 -3.927 1.026 1.00 54.52 H new ATOM 69 N ASP A 5 -13.324 -0.601 4.880 1.00 11.14 N ATOM 70 CA ASP A 5 -13.780 0.776 5.032 1.00 0.13 C ATOM 71 C ASP A 5 -14.571 1.188 3.796 1.00 2.02 C ATOM 72 O ASP A 5 -15.293 2.185 3.806 1.00 44.13 O ATOM 73 CB ASP A 5 -12.593 1.718 5.257 1.00 3.43 C ATOM 74 CG ASP A 5 -13.023 3.154 5.477 1.00 51.54 C ATOM 75 OD1 ASP A 5 -13.787 3.412 6.437 1.00 22.40 O ATOM 76 OD2 ASP A 5 -12.606 4.029 4.694 1.00 40.05 O ATOM 0 H ASP A 5 -12.523 -0.718 4.260 1.00 11.14 H new ATOM 0 HA ASP A 5 -14.427 0.843 5.907 1.00 0.13 H new ATOM 0 HB2 ASP A 5 -12.022 1.377 6.121 1.00 3.43 H new ATOM 0 HB3 ASP A 5 -11.927 1.670 4.395 1.00 3.43 H new ATOM 81 N ASP A 6 -14.447 0.368 2.750 1.00 63.45 N ATOM 82 CA ASP A 6 -15.121 0.593 1.471 1.00 64.33 C ATOM 83 C ASP A 6 -14.533 1.834 0.792 1.00 32.42 C ATOM 84 O ASP A 6 -13.446 2.277 1.170 1.00 4.33 O ATOM 85 CB ASP A 6 -16.639 0.729 1.679 1.00 54.33 C ATOM 86 CG ASP A 6 -17.441 0.395 0.435 1.00 65.14 C ATOM 87 OD1 ASP A 6 -17.813 -0.783 0.262 1.00 15.24 O ATOM 88 OD2 ASP A 6 -17.714 1.313 -0.365 1.00 43.44 O ATOM 0 H ASP A 6 -13.873 -0.475 2.767 1.00 63.45 H new ATOM 0 HA ASP A 6 -14.957 -0.265 0.819 1.00 64.33 H new ATOM 0 HB2 ASP A 6 -16.949 0.072 2.492 1.00 54.33 H new ATOM 0 HB3 ASP A 6 -16.868 1.749 1.989 1.00 54.33 H new ATOM 93 N TYR A 7 -15.237 2.366 -0.212 1.00 33.22 N ATOM 94 CA TYR A 7 -14.801 3.557 -0.953 1.00 21.42 C ATOM 95 C TYR A 7 -13.627 3.275 -1.889 1.00 24.51 C ATOM 96 O TYR A 7 -12.515 3.002 -1.443 1.00 32.42 O ATOM 97 CB TYR A 7 -14.411 4.701 -0.004 1.00 22.32 C ATOM 98 CG TYR A 7 -15.566 5.509 0.533 1.00 3.23 C ATOM 99 CD1 TYR A 7 -16.204 5.159 1.716 1.00 40.20 C ATOM 100 CD2 TYR A 7 -16.001 6.645 -0.136 1.00 24.22 C ATOM 101 CE1 TYR A 7 -17.242 5.921 2.216 1.00 10.24 C ATOM 102 CE2 TYR A 7 -17.040 7.408 0.354 1.00 72.44 C ATOM 103 CZ TYR A 7 -17.656 7.043 1.530 1.00 61.41 C ATOM 104 OH TYR A 7 -18.678 7.813 2.027 1.00 11.11 O ATOM 0 H TYR A 7 -16.126 1.984 -0.535 1.00 33.22 H new ATOM 0 HA TYR A 7 -15.659 3.854 -1.556 1.00 21.42 H new ATOM 0 HB2 TYR A 7 -13.859 4.282 0.837 1.00 22.32 H new ATOM 0 HB3 TYR A 7 -13.731 5.372 -0.529 1.00 22.32 H new ATOM 0 HD1 TYR A 7 -15.884 4.278 2.253 1.00 40.20 H new ATOM 0 HD2 TYR A 7 -15.517 6.936 -1.057 1.00 24.22 H new ATOM 0 HE1 TYR A 7 -17.727 5.639 3.139 1.00 10.24 H new ATOM 0 HE2 TYR A 7 -17.368 8.287 -0.181 1.00 72.44 H new ATOM 0 HH TYR A 7 -18.844 8.566 1.422 1.00 11.11 H new ATOM 114 N PRO A 8 -13.868 3.318 -3.210 1.00 22.23 N ATOM 115 CA PRO A 8 -12.783 3.405 -4.192 1.00 42.42 C ATOM 116 C PRO A 8 -12.091 4.758 -4.050 1.00 22.13 C ATOM 117 O PRO A 8 -10.905 4.835 -3.727 1.00 71.02 O ATOM 118 CB PRO A 8 -13.489 3.289 -5.553 1.00 33.33 C ATOM 119 CG PRO A 8 -14.853 2.762 -5.251 1.00 43.11 C ATOM 120 CD PRO A 8 -15.188 3.253 -3.846 1.00 43.01 C ATOM 0 HA PRO A 8 -12.020 2.636 -4.067 1.00 42.42 H new ATOM 0 HB2 PRO A 8 -13.544 4.257 -6.051 1.00 33.33 H new ATOM 0 HB3 PRO A 8 -12.948 2.618 -6.220 1.00 33.33 H new ATOM 0 HG2 PRO A 8 -15.582 3.125 -5.976 1.00 43.11 H new ATOM 0 HG3 PRO A 8 -14.871 1.673 -5.299 1.00 43.11 H new ATOM 0 HD2 PRO A 8 -15.679 4.226 -3.862 1.00 43.01 H new ATOM 0 HD3 PRO A 8 -15.856 2.567 -3.325 1.00 43.01 H new ATOM 128 N GLN A 9 -12.867 5.818 -4.297 1.00 14.10 N ATOM 129 CA GLN A 9 -12.509 7.179 -3.905 1.00 3.43 C ATOM 130 C GLN A 9 -11.361 7.785 -4.724 1.00 4.40 C ATOM 131 O GLN A 9 -10.360 7.129 -5.029 1.00 51.31 O ATOM 132 CB GLN A 9 -12.203 7.210 -2.399 1.00 4.12 C ATOM 133 CG GLN A 9 -11.495 8.464 -1.917 1.00 72.32 C ATOM 134 CD GLN A 9 -10.050 8.202 -1.545 1.00 2.24 C ATOM 135 OE1 GLN A 9 -9.489 8.877 -0.680 1.00 3.32 O ATOM 136 NE2 GLN A 9 -9.441 7.208 -2.181 1.00 1.31 N ATOM 0 H GLN A 9 -13.765 5.753 -4.777 1.00 14.10 H new ATOM 0 HA GLN A 9 -13.369 7.812 -4.123 1.00 3.43 H new ATOM 0 HB2 GLN A 9 -13.139 7.105 -1.850 1.00 4.12 H new ATOM 0 HB3 GLN A 9 -11.589 6.345 -2.150 1.00 4.12 H new ATOM 0 HG2 GLN A 9 -11.535 9.224 -2.698 1.00 72.32 H new ATOM 0 HG3 GLN A 9 -12.023 8.867 -1.053 1.00 72.32 H new ATOM 0 HE21 GLN A 9 -9.942 6.674 -2.891 1.00 1.31 H new ATOM 0 HE22 GLN A 9 -8.472 6.979 -1.960 1.00 1.31 H new ATOM 145 N ALA A 10 -11.543 9.057 -5.075 1.00 10.23 N ATOM 146 CA ALA A 10 -10.533 9.876 -5.738 1.00 21.23 C ATOM 147 C ALA A 10 -10.194 9.376 -7.140 1.00 73.15 C ATOM 148 O ALA A 10 -10.831 9.775 -8.116 1.00 32.02 O ATOM 149 CB ALA A 10 -9.274 9.990 -4.886 1.00 12.14 C ATOM 0 H ALA A 10 -12.416 9.556 -4.902 1.00 10.23 H new ATOM 0 HA ALA A 10 -10.967 10.869 -5.854 1.00 21.23 H new ATOM 0 HB1 ALA A 10 -8.539 10.605 -5.404 1.00 12.14 H new ATOM 0 HB2 ALA A 10 -9.522 10.450 -3.929 1.00 12.14 H new ATOM 0 HB3 ALA A 10 -8.860 8.997 -4.714 1.00 12.14 H new ATOM 155 N LYS A 11 -9.198 8.493 -7.224 1.00 12.52 N ATOM 156 CA LYS A 11 -8.652 8.038 -8.502 1.00 60.33 C ATOM 157 C LYS A 11 -8.355 9.234 -9.411 1.00 74.34 C ATOM 158 O LYS A 11 -8.671 9.228 -10.599 1.00 71.14 O ATOM 159 CB LYS A 11 -9.613 7.062 -9.194 1.00 14.41 C ATOM 160 CG LYS A 11 -8.930 5.864 -9.866 1.00 51.42 C ATOM 161 CD LYS A 11 -8.070 6.250 -11.072 1.00 4.51 C ATOM 162 CE LYS A 11 -6.694 6.767 -10.662 1.00 22.23 C ATOM 163 NZ LYS A 11 -5.846 7.112 -11.836 1.00 64.34 N ATOM 0 H LYS A 11 -8.748 8.074 -6.410 1.00 12.52 H new ATOM 0 HA LYS A 11 -7.719 7.510 -8.304 1.00 60.33 H new ATOM 0 HB2 LYS A 11 -10.326 6.691 -8.458 1.00 14.41 H new ATOM 0 HB3 LYS A 11 -10.185 7.607 -9.946 1.00 14.41 H new ATOM 0 HG2 LYS A 11 -8.306 5.353 -9.133 1.00 51.42 H new ATOM 0 HG3 LYS A 11 -9.692 5.153 -10.186 1.00 51.42 H new ATOM 0 HD2 LYS A 11 -7.951 5.383 -11.722 1.00 4.51 H new ATOM 0 HD3 LYS A 11 -8.585 7.016 -11.652 1.00 4.51 H new ATOM 0 HE2 LYS A 11 -6.813 7.648 -10.031 1.00 22.23 H new ATOM 0 HE3 LYS A 11 -6.189 6.011 -10.061 1.00 22.23 H new ATOM 0 HZ1 LYS A 11 -5.028 7.672 -11.521 1.00 64.34 H new ATOM 0 HZ2 LYS A 11 -5.513 6.239 -12.292 1.00 64.34 H new ATOM 0 HZ3 LYS A 11 -6.404 7.667 -12.516 1.00 64.34 H new ATOM 177 N ARG A 12 -7.729 10.256 -8.847 1.00 53.44 N ATOM 178 CA ARG A 12 -7.367 11.437 -9.610 1.00 24.01 C ATOM 179 C ARG A 12 -6.036 11.214 -10.316 1.00 2.04 C ATOM 180 O ARG A 12 -5.449 10.134 -10.228 1.00 4.21 O ATOM 181 CB ARG A 12 -7.267 12.657 -8.693 1.00 54.11 C ATOM 182 CG ARG A 12 -8.558 12.983 -7.961 1.00 22.53 C ATOM 183 CD ARG A 12 -8.381 14.170 -7.032 1.00 5.43 C ATOM 184 NE ARG A 12 -9.619 14.513 -6.335 1.00 32.15 N ATOM 185 CZ ARG A 12 -9.736 15.514 -5.462 1.00 2.25 C ATOM 186 NH1 ARG A 12 -8.690 16.291 -5.188 1.00 43.50 N ATOM 187 NH2 ARG A 12 -10.905 15.742 -4.874 1.00 61.11 N ATOM 0 H ARG A 12 -7.462 10.290 -7.863 1.00 53.44 H new ATOM 0 HA ARG A 12 -8.143 11.619 -10.354 1.00 24.01 H new ATOM 0 HB2 ARG A 12 -6.479 12.485 -7.960 1.00 54.11 H new ATOM 0 HB3 ARG A 12 -6.968 13.522 -9.286 1.00 54.11 H new ATOM 0 HG2 ARG A 12 -9.344 13.199 -8.685 1.00 22.53 H new ATOM 0 HG3 ARG A 12 -8.882 12.115 -7.387 1.00 22.53 H new ATOM 0 HD2 ARG A 12 -7.605 13.945 -6.301 1.00 5.43 H new ATOM 0 HD3 ARG A 12 -8.038 15.031 -7.606 1.00 5.43 H new ATOM 0 HE ARG A 12 -10.447 13.950 -6.529 1.00 32.15 H new ATOM 0 HH11 ARG A 12 -7.795 16.122 -5.647 1.00 43.50 H new ATOM 0 HH12 ARG A 12 -8.784 17.056 -4.520 1.00 43.50 H new ATOM 0 HH21 ARG A 12 -11.709 15.152 -5.091 1.00 61.11 H new ATOM 0 HH22 ARG A 12 -10.999 16.507 -4.206 1.00 61.11 H new ATOM 201 N VAL A 13 -5.572 12.230 -11.025 1.00 43.11 N ATOM 202 CA VAL A 13 -4.251 12.184 -11.631 1.00 32.43 C ATOM 203 C VAL A 13 -3.203 12.717 -10.647 1.00 72.24 C ATOM 204 O VAL A 13 -2.187 12.059 -10.415 1.00 21.14 O ATOM 205 CB VAL A 13 -4.189 12.964 -12.966 1.00 32.11 C ATOM 206 CG1 VAL A 13 -2.815 12.822 -13.613 1.00 22.40 C ATOM 207 CG2 VAL A 13 -5.280 12.482 -13.913 1.00 53.42 C ATOM 0 H VAL A 13 -6.088 13.093 -11.195 1.00 43.11 H new ATOM 0 HA VAL A 13 -4.033 11.141 -11.862 1.00 32.43 H new ATOM 0 HB VAL A 13 -4.356 14.020 -12.754 1.00 32.11 H new ATOM 0 HG11 VAL A 13 -2.795 13.378 -14.550 1.00 22.40 H new ATOM 0 HG12 VAL A 13 -2.054 13.216 -12.940 1.00 22.40 H new ATOM 0 HG13 VAL A 13 -2.613 11.769 -13.812 1.00 22.40 H new ATOM 0 HG21 VAL A 13 -5.223 13.040 -14.848 1.00 53.42 H new ATOM 0 HG22 VAL A 13 -5.143 11.420 -14.116 1.00 53.42 H new ATOM 0 HG23 VAL A 13 -6.256 12.641 -13.454 1.00 53.42 H new ATOM 217 N PRO A 14 -3.424 13.909 -10.039 1.00 54.01 N ATOM 218 CA PRO A 14 -2.536 14.429 -9.016 1.00 5.11 C ATOM 219 C PRO A 14 -3.012 14.070 -7.610 1.00 14.30 C ATOM 220 O PRO A 14 -3.636 14.882 -6.921 1.00 33.13 O ATOM 221 CB PRO A 14 -2.597 15.940 -9.247 1.00 64.43 C ATOM 222 CG PRO A 14 -3.968 16.202 -9.790 1.00 72.41 C ATOM 223 CD PRO A 14 -4.520 14.863 -10.300 1.00 51.34 C ATOM 0 HA PRO A 14 -1.529 14.017 -9.084 1.00 5.11 H new ATOM 0 HB2 PRO A 14 -2.430 16.487 -8.319 1.00 64.43 H new ATOM 0 HB3 PRO A 14 -1.828 16.262 -9.949 1.00 64.43 H new ATOM 0 HG2 PRO A 14 -4.615 16.615 -9.016 1.00 72.41 H new ATOM 0 HG3 PRO A 14 -3.929 16.934 -10.597 1.00 72.41 H new ATOM 0 HD2 PRO A 14 -5.431 14.579 -9.774 1.00 51.34 H new ATOM 0 HD3 PRO A 14 -4.766 14.910 -11.361 1.00 51.34 H new ATOM 231 N GLY A 15 -2.756 12.833 -7.212 1.00 0.42 N ATOM 232 CA GLY A 15 -3.075 12.408 -5.868 1.00 70.44 C ATOM 233 C GLY A 15 -4.231 11.435 -5.815 1.00 51.55 C ATOM 234 O GLY A 15 -5.365 11.784 -6.150 1.00 63.13 O ATOM 0 H GLY A 15 -2.332 12.115 -7.799 1.00 0.42 H new ATOM 0 HA2 GLY A 15 -2.196 11.944 -5.421 1.00 70.44 H new ATOM 0 HA3 GLY A 15 -3.315 13.283 -5.264 1.00 70.44 H new ATOM 238 N LEU A 16 -3.944 10.204 -5.408 1.00 24.15 N ATOM 239 CA LEU A 16 -4.991 9.212 -5.183 1.00 54.11 C ATOM 240 C LEU A 16 -4.511 8.214 -4.144 1.00 12.45 C ATOM 241 O LEU A 16 -3.327 7.874 -4.093 1.00 44.33 O ATOM 242 CB LEU A 16 -5.376 8.498 -6.490 1.00 62.42 C ATOM 243 CG LEU A 16 -4.379 7.460 -6.996 1.00 5.51 C ATOM 244 CD1 LEU A 16 -4.875 6.049 -6.713 1.00 24.04 C ATOM 245 CD2 LEU A 16 -4.104 7.653 -8.476 1.00 14.41 C ATOM 0 H LEU A 16 -2.998 9.869 -5.227 1.00 24.15 H new ATOM 0 HA LEU A 16 -5.885 9.717 -4.818 1.00 54.11 H new ATOM 0 HB2 LEU A 16 -6.339 8.009 -6.345 1.00 62.42 H new ATOM 0 HB3 LEU A 16 -5.514 9.251 -7.266 1.00 62.42 H new ATOM 0 HG LEU A 16 -3.441 7.600 -6.458 1.00 5.51 H new ATOM 0 HD11 LEU A 16 -4.147 5.327 -7.083 1.00 24.04 H new ATOM 0 HD12 LEU A 16 -5.003 5.917 -5.639 1.00 24.04 H new ATOM 0 HD13 LEU A 16 -5.830 5.892 -7.215 1.00 24.04 H new ATOM 0 HD21 LEU A 16 -3.390 6.902 -8.814 1.00 14.41 H new ATOM 0 HD22 LEU A 16 -5.034 7.549 -9.035 1.00 14.41 H new ATOM 0 HD23 LEU A 16 -3.690 8.648 -8.642 1.00 14.41 H new ATOM 257 N VAL A 17 -5.415 7.760 -3.296 1.00 72.51 N ATOM 258 CA VAL A 17 -5.033 6.845 -2.243 1.00 52.10 C ATOM 259 C VAL A 17 -5.817 5.546 -2.357 1.00 31.25 C ATOM 260 O VAL A 17 -7.036 5.552 -2.528 1.00 2.11 O ATOM 261 CB VAL A 17 -5.211 7.473 -0.831 1.00 51.31 C ATOM 262 CG1 VAL A 17 -4.677 8.894 -0.816 1.00 24.54 C ATOM 263 CG2 VAL A 17 -6.657 7.455 -0.367 1.00 71.40 C ATOM 0 H VAL A 17 -6.405 8.007 -3.316 1.00 72.51 H new ATOM 0 HA VAL A 17 -3.972 6.628 -2.367 1.00 52.10 H new ATOM 0 HB VAL A 17 -4.639 6.860 -0.134 1.00 51.31 H new ATOM 0 HG11 VAL A 17 -4.808 9.321 0.178 1.00 24.54 H new ATOM 0 HG12 VAL A 17 -3.617 8.887 -1.071 1.00 24.54 H new ATOM 0 HG13 VAL A 17 -5.222 9.495 -1.544 1.00 24.54 H new ATOM 0 HG21 VAL A 17 -6.727 7.904 0.624 1.00 71.40 H new ATOM 0 HG22 VAL A 17 -7.271 8.022 -1.067 1.00 71.40 H new ATOM 0 HG23 VAL A 17 -7.013 6.426 -0.324 1.00 71.40 H new ATOM 273 N VAL A 18 -5.098 4.441 -2.329 1.00 54.41 N ATOM 274 CA VAL A 18 -5.712 3.127 -2.285 1.00 65.10 C ATOM 275 C VAL A 18 -5.173 2.362 -1.086 1.00 44.05 C ATOM 276 O VAL A 18 -4.144 1.690 -1.156 1.00 61.12 O ATOM 277 CB VAL A 18 -5.502 2.324 -3.593 1.00 11.33 C ATOM 278 CG1 VAL A 18 -6.516 2.750 -4.642 1.00 62.41 C ATOM 279 CG2 VAL A 18 -4.096 2.514 -4.134 1.00 20.31 C ATOM 0 H VAL A 18 -4.078 4.427 -2.336 1.00 54.41 H new ATOM 0 HA VAL A 18 -6.789 3.264 -2.183 1.00 65.10 H new ATOM 0 HB VAL A 18 -5.643 1.268 -3.362 1.00 11.33 H new ATOM 0 HG11 VAL A 18 -6.357 2.178 -5.556 1.00 62.41 H new ATOM 0 HG12 VAL A 18 -7.524 2.566 -4.270 1.00 62.41 H new ATOM 0 HG13 VAL A 18 -6.396 3.812 -4.854 1.00 62.41 H new ATOM 0 HG21 VAL A 18 -3.979 1.938 -5.052 1.00 20.31 H new ATOM 0 HG22 VAL A 18 -3.926 3.570 -4.344 1.00 20.31 H new ATOM 0 HG23 VAL A 18 -3.372 2.170 -3.395 1.00 20.31 H new ATOM 289 N TYR A 19 -5.858 2.508 0.031 1.00 74.51 N ATOM 290 CA TYR A 19 -5.379 1.991 1.303 1.00 63.45 C ATOM 291 C TYR A 19 -5.563 0.483 1.433 1.00 3.04 C ATOM 292 O TYR A 19 -6.039 -0.194 0.516 1.00 71.22 O ATOM 293 CB TYR A 19 -6.073 2.712 2.463 1.00 74.20 C ATOM 294 CG TYR A 19 -7.507 3.113 2.183 1.00 3.21 C ATOM 295 CD1 TYR A 19 -8.525 2.167 2.112 1.00 71.01 C ATOM 296 CD2 TYR A 19 -7.840 4.449 1.999 1.00 72.33 C ATOM 297 CE1 TYR A 19 -9.832 2.545 1.858 1.00 62.42 C ATOM 298 CE2 TYR A 19 -9.141 4.833 1.747 1.00 14.43 C ATOM 299 CZ TYR A 19 -10.133 3.879 1.676 1.00 52.30 C ATOM 300 OH TYR A 19 -11.431 4.264 1.428 1.00 54.52 O ATOM 0 H TYR A 19 -6.758 2.985 0.085 1.00 74.51 H new ATOM 0 HA TYR A 19 -4.307 2.184 1.341 1.00 63.45 H new ATOM 0 HB2 TYR A 19 -6.054 2.065 3.340 1.00 74.20 H new ATOM 0 HB3 TYR A 19 -5.501 3.605 2.714 1.00 74.20 H new ATOM 0 HD1 TYR A 19 -8.292 1.123 2.257 1.00 71.01 H new ATOM 0 HD2 TYR A 19 -7.067 5.201 2.054 1.00 72.33 H new ATOM 0 HE1 TYR A 19 -10.612 1.800 1.803 1.00 62.42 H new ATOM 0 HE2 TYR A 19 -9.381 5.877 1.606 1.00 14.43 H new ATOM 0 HH TYR A 19 -12.005 3.471 1.385 1.00 54.52 H new ATOM 310 N ARG A 20 -5.135 -0.031 2.578 1.00 11.20 N ATOM 311 CA ARG A 20 -5.325 -1.426 2.924 1.00 62.23 C ATOM 312 C ARG A 20 -6.800 -1.709 3.156 1.00 64.12 C ATOM 313 O ARG A 20 -7.478 -0.955 3.857 1.00 34.35 O ATOM 314 CB ARG A 20 -4.550 -1.762 4.202 1.00 12.03 C ATOM 315 CG ARG A 20 -3.038 -1.734 4.065 1.00 63.14 C ATOM 316 CD ARG A 20 -2.520 -2.962 3.339 1.00 52.42 C ATOM 317 NE ARG A 20 -1.184 -3.338 3.800 1.00 65.03 N ATOM 318 CZ ARG A 20 -0.841 -4.581 4.146 1.00 33.10 C ATOM 319 NH1 ARG A 20 -1.710 -5.573 4.023 1.00 3.23 N ATOM 320 NH2 ARG A 20 0.369 -4.834 4.623 1.00 62.30 N ATOM 0 H ARG A 20 -4.647 0.511 3.291 1.00 11.20 H new ATOM 0 HA ARG A 20 -4.958 -2.039 2.101 1.00 62.23 H new ATOM 0 HB2 ARG A 20 -4.842 -1.058 4.981 1.00 12.03 H new ATOM 0 HB3 ARG A 20 -4.850 -2.754 4.540 1.00 12.03 H new ATOM 0 HG2 ARG A 20 -2.738 -0.837 3.524 1.00 63.14 H new ATOM 0 HG3 ARG A 20 -2.583 -1.677 5.054 1.00 63.14 H new ATOM 0 HD2 ARG A 20 -3.207 -3.794 3.495 1.00 52.42 H new ATOM 0 HD3 ARG A 20 -2.494 -2.767 2.267 1.00 52.42 H new ATOM 0 HE ARG A 20 -0.473 -2.609 3.861 1.00 65.03 H new ATOM 0 HH11 ARG A 20 -2.646 -5.389 3.662 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -1.443 -6.521 4.289 1.00 3.23 H new ATOM 0 HH21 ARG A 20 1.045 -4.077 4.728 1.00 62.30 H new ATOM 0 HH22 ARG A 20 0.625 -5.786 4.886 1.00 62.30 H new ATOM 334 N TYR A 21 -7.301 -2.772 2.551 1.00 10.02 N ATOM 335 CA TYR A 21 -8.647 -3.225 2.840 1.00 42.32 C ATOM 336 C TYR A 21 -8.681 -3.824 4.236 1.00 22.35 C ATOM 337 O TYR A 21 -8.094 -4.878 4.480 1.00 14.32 O ATOM 338 CB TYR A 21 -9.118 -4.242 1.797 1.00 0.33 C ATOM 339 CG TYR A 21 -9.408 -3.633 0.443 1.00 53.15 C ATOM 340 CD1 TYR A 21 -10.665 -3.118 0.152 1.00 42.24 C ATOM 341 CD2 TYR A 21 -8.428 -3.564 -0.542 1.00 32.03 C ATOM 342 CE1 TYR A 21 -10.940 -2.556 -1.079 1.00 44.13 C ATOM 343 CE2 TYR A 21 -8.698 -3.002 -1.776 1.00 51.45 C ATOM 344 CZ TYR A 21 -9.954 -2.500 -2.038 1.00 10.42 C ATOM 345 OH TYR A 21 -10.226 -1.939 -3.264 1.00 3.32 O ATOM 0 H TYR A 21 -6.799 -3.333 1.862 1.00 10.02 H new ATOM 0 HA TYR A 21 -9.329 -2.376 2.797 1.00 42.32 H new ATOM 0 HB2 TYR A 21 -8.355 -5.013 1.683 1.00 0.33 H new ATOM 0 HB3 TYR A 21 -10.018 -4.736 2.164 1.00 0.33 H new ATOM 0 HD1 TYR A 21 -11.441 -3.158 0.902 1.00 42.24 H new ATOM 0 HD2 TYR A 21 -7.442 -3.955 -0.340 1.00 32.03 H new ATOM 0 HE1 TYR A 21 -11.924 -2.162 -1.288 1.00 44.13 H new ATOM 0 HE2 TYR A 21 -7.928 -2.957 -2.531 1.00 51.45 H new ATOM 0 HH TYR A 21 -9.424 -1.976 -3.826 1.00 3.32 H new ATOM 355 N ASP A 22 -9.330 -3.121 5.156 1.00 55.13 N ATOM 356 CA ASP A 22 -9.375 -3.548 6.548 1.00 61.42 C ATOM 357 C ASP A 22 -10.313 -4.739 6.715 1.00 63.11 C ATOM 358 O ASP A 22 -11.462 -4.591 7.135 1.00 53.03 O ATOM 359 CB ASP A 22 -9.810 -2.391 7.453 1.00 5.12 C ATOM 360 CG ASP A 22 -8.892 -2.210 8.647 1.00 0.11 C ATOM 361 OD1 ASP A 22 -8.789 -3.138 9.473 1.00 41.34 O ATOM 362 OD2 ASP A 22 -8.255 -1.138 8.757 1.00 73.23 O ATOM 0 H ASP A 22 -9.832 -2.254 4.963 1.00 55.13 H new ATOM 0 HA ASP A 22 -8.372 -3.857 6.843 1.00 61.42 H new ATOM 0 HB2 ASP A 22 -9.832 -1.469 6.873 1.00 5.12 H new ATOM 0 HB3 ASP A 22 -10.826 -2.571 7.804 1.00 5.12 H new ATOM 367 N ALA A 23 -9.824 -5.907 6.319 1.00 41.20 N ATOM 368 CA ALA A 23 -10.570 -7.150 6.428 1.00 43.45 C ATOM 369 C ALA A 23 -9.640 -8.347 6.310 1.00 62.42 C ATOM 370 O ALA A 23 -8.811 -8.400 5.403 1.00 50.31 O ATOM 371 CB ALA A 23 -11.613 -7.225 5.335 1.00 51.34 C ATOM 0 H ALA A 23 -8.895 -6.017 5.912 1.00 41.20 H new ATOM 0 HA ALA A 23 -11.055 -7.170 7.404 1.00 43.45 H new ATOM 0 HB1 ALA A 23 -12.167 -8.159 5.424 1.00 51.34 H new ATOM 0 HB2 ALA A 23 -12.301 -6.385 5.430 1.00 51.34 H new ATOM 0 HB3 ALA A 23 -11.124 -7.185 4.362 1.00 51.34 H new ATOM 377 N PRO A 24 -9.744 -9.305 7.241 1.00 14.25 N ATOM 378 CA PRO A 24 -8.953 -10.542 7.207 1.00 62.10 C ATOM 379 C PRO A 24 -9.184 -11.354 5.938 1.00 13.33 C ATOM 380 O PRO A 24 -10.138 -12.128 5.843 1.00 1.31 O ATOM 381 CB PRO A 24 -9.430 -11.322 8.440 1.00 34.23 C ATOM 382 CG PRO A 24 -9.974 -10.281 9.347 1.00 74.34 C ATOM 383 CD PRO A 24 -10.611 -9.246 8.426 1.00 65.54 C ATOM 0 HA PRO A 24 -7.884 -10.330 7.214 1.00 62.10 H new ATOM 0 HB2 PRO A 24 -10.191 -12.056 8.176 1.00 34.23 H new ATOM 0 HB3 PRO A 24 -8.610 -11.867 8.907 1.00 34.23 H new ATOM 0 HG2 PRO A 24 -10.708 -10.702 10.035 1.00 74.34 H new ATOM 0 HG3 PRO A 24 -9.186 -9.836 9.955 1.00 74.34 H new ATOM 0 HD2 PRO A 24 -11.645 -9.496 8.186 1.00 65.54 H new ATOM 0 HD3 PRO A 24 -10.619 -8.253 8.875 1.00 65.54 H new ATOM 391 N LEU A 25 -8.318 -11.146 4.959 1.00 44.15 N ATOM 392 CA LEU A 25 -8.378 -11.891 3.710 1.00 2.41 C ATOM 393 C LEU A 25 -7.107 -12.715 3.538 1.00 45.43 C ATOM 394 O LEU A 25 -6.979 -13.484 2.583 1.00 34.10 O ATOM 395 CB LEU A 25 -8.632 -10.948 2.501 1.00 34.15 C ATOM 396 CG LEU A 25 -7.481 -10.032 2.002 1.00 15.05 C ATOM 397 CD1 LEU A 25 -6.720 -9.370 3.140 1.00 20.13 C ATOM 398 CD2 LEU A 25 -6.530 -10.783 1.081 1.00 24.21 C ATOM 0 H LEU A 25 -7.561 -10.464 5.005 1.00 44.15 H new ATOM 0 HA LEU A 25 -9.223 -12.578 3.749 1.00 2.41 H new ATOM 0 HB2 LEU A 25 -8.946 -11.568 1.661 1.00 34.15 H new ATOM 0 HB3 LEU A 25 -9.475 -10.306 2.756 1.00 34.15 H new ATOM 0 HG LEU A 25 -7.954 -9.234 1.430 1.00 15.05 H new ATOM 0 HD11 LEU A 25 -5.928 -8.742 2.731 1.00 20.13 H new ATOM 0 HD12 LEU A 25 -7.404 -8.756 3.726 1.00 20.13 H new ATOM 0 HD13 LEU A 25 -6.282 -10.137 3.779 1.00 20.13 H new ATOM 0 HD21 LEU A 25 -5.737 -10.112 0.751 1.00 24.21 H new ATOM 0 HD22 LEU A 25 -6.093 -11.625 1.618 1.00 24.21 H new ATOM 0 HD23 LEU A 25 -7.078 -11.151 0.214 1.00 24.21 H new ATOM 410 N CYS A 26 -6.182 -12.542 4.490 1.00 13.01 N ATOM 411 CA CYS A 26 -4.901 -13.245 4.491 1.00 54.30 C ATOM 412 C CYS A 26 -4.035 -12.774 3.325 1.00 70.30 C ATOM 413 O CYS A 26 -3.136 -11.948 3.520 1.00 53.41 O ATOM 414 CB CYS A 26 -5.103 -14.765 4.445 1.00 53.20 C ATOM 415 SG CYS A 26 -6.144 -15.412 5.777 1.00 33.23 S ATOM 0 H CYS A 26 -6.304 -11.909 5.281 1.00 13.01 H new ATOM 0 HA CYS A 26 -4.384 -13.009 5.421 1.00 54.30 H new ATOM 0 HB2 CYS A 26 -5.549 -15.033 3.487 1.00 53.20 H new ATOM 0 HB3 CYS A 26 -4.129 -15.252 4.490 1.00 53.20 H new ATOM 0 HG CYS A 26 -6.257 -16.701 5.652 1.00 33.23 H new ATOM 421 N PHE A 27 -4.310 -13.311 2.129 1.00 52.11 N ATOM 422 CA PHE A 27 -3.688 -12.856 0.879 1.00 53.24 C ATOM 423 C PHE A 27 -4.155 -13.713 -0.298 1.00 23.10 C ATOM 424 O PHE A 27 -3.524 -13.709 -1.354 1.00 13.41 O ATOM 425 CB PHE A 27 -2.158 -12.897 0.958 1.00 75.23 C ATOM 426 CG PHE A 27 -1.575 -14.284 1.051 1.00 14.24 C ATOM 427 CD1 PHE A 27 -1.753 -15.060 2.188 1.00 44.41 C ATOM 428 CD2 PHE A 27 -0.845 -14.811 -0.003 1.00 51.31 C ATOM 429 CE1 PHE A 27 -1.221 -16.330 2.269 1.00 70.41 C ATOM 430 CE2 PHE A 27 -0.310 -16.083 0.073 1.00 3.20 C ATOM 431 CZ PHE A 27 -0.495 -16.840 1.212 1.00 24.55 C ATOM 0 H PHE A 27 -4.973 -14.076 2.001 1.00 52.11 H new ATOM 0 HA PHE A 27 -3.998 -11.822 0.726 1.00 53.24 H new ATOM 0 HB2 PHE A 27 -1.748 -12.402 0.078 1.00 75.23 H new ATOM 0 HB3 PHE A 27 -1.836 -12.322 1.826 1.00 75.23 H new ATOM 0 HD1 PHE A 27 -2.316 -14.664 3.020 1.00 44.41 H new ATOM 0 HD2 PHE A 27 -0.692 -14.220 -0.894 1.00 51.31 H new ATOM 0 HE1 PHE A 27 -1.372 -16.924 3.158 1.00 70.41 H new ATOM 0 HE2 PHE A 27 0.252 -16.484 -0.758 1.00 3.20 H new ATOM 0 HZ PHE A 27 -0.072 -17.831 1.276 1.00 24.55 H new ATOM 441 N ALA A 28 -5.288 -14.396 -0.118 1.00 63.25 N ATOM 442 CA ALA A 28 -5.776 -15.398 -1.075 1.00 65.13 C ATOM 443 C ALA A 28 -5.696 -14.931 -2.527 1.00 34.51 C ATOM 444 O ALA A 28 -5.018 -15.543 -3.353 1.00 15.11 O ATOM 445 CB ALA A 28 -7.207 -15.787 -0.731 1.00 50.12 C ATOM 0 H ALA A 28 -5.894 -14.272 0.693 1.00 63.25 H new ATOM 0 HA ALA A 28 -5.119 -16.264 -0.988 1.00 65.13 H new ATOM 0 HB1 ALA A 28 -7.563 -16.530 -1.444 1.00 50.12 H new ATOM 0 HB2 ALA A 28 -7.239 -16.205 0.275 1.00 50.12 H new ATOM 0 HB3 ALA A 28 -7.845 -14.905 -0.777 1.00 50.12 H new ATOM 451 N ASN A 29 -6.392 -13.853 -2.841 1.00 61.05 N ATOM 452 CA ASN A 29 -6.386 -13.317 -4.196 1.00 41.31 C ATOM 453 C ASN A 29 -5.578 -12.031 -4.253 1.00 2.32 C ATOM 454 O ASN A 29 -5.509 -11.385 -5.294 1.00 3.11 O ATOM 455 CB ASN A 29 -7.820 -13.059 -4.683 1.00 0.21 C ATOM 456 CG ASN A 29 -8.549 -12.003 -3.864 1.00 31.32 C ATOM 457 OD1 ASN A 29 -8.298 -11.835 -2.669 1.00 31.21 O ATOM 458 ND2 ASN A 29 -9.457 -11.283 -4.503 1.00 24.22 N ATOM 0 H ASN A 29 -6.968 -13.331 -2.181 1.00 61.05 H new ATOM 0 HA ASN A 29 -5.923 -14.054 -4.852 1.00 41.31 H new ATOM 0 HB2 ASN A 29 -7.792 -12.745 -5.726 1.00 0.21 H new ATOM 0 HB3 ASN A 29 -8.383 -13.992 -4.646 1.00 0.21 H new ATOM 0 HD21 ASN A 29 -9.977 -10.560 -4.006 1.00 24.22 H new ATOM 0 HD22 ASN A 29 -9.637 -11.451 -5.493 1.00 24.22 H new ATOM 465 N ALA A 30 -4.931 -11.704 -3.137 1.00 45.13 N ATOM 466 CA ALA A 30 -4.263 -10.415 -2.958 1.00 4.24 C ATOM 467 C ALA A 30 -3.323 -10.072 -4.108 1.00 73.02 C ATOM 468 O ALA A 30 -3.291 -8.932 -4.558 1.00 61.02 O ATOM 469 CB ALA A 30 -3.506 -10.391 -1.640 1.00 75.31 C ATOM 0 H ALA A 30 -4.854 -12.324 -2.331 1.00 45.13 H new ATOM 0 HA ALA A 30 -5.044 -9.655 -2.946 1.00 4.24 H new ATOM 0 HB1 ALA A 30 -3.014 -9.426 -1.521 1.00 75.31 H new ATOM 0 HB2 ALA A 30 -4.203 -10.547 -0.817 1.00 75.31 H new ATOM 0 HB3 ALA A 30 -2.757 -11.183 -1.636 1.00 75.31 H new ATOM 475 N GLU A 31 -2.568 -11.052 -4.586 1.00 64.33 N ATOM 476 CA GLU A 31 -1.612 -10.819 -5.663 1.00 11.13 C ATOM 477 C GLU A 31 -2.305 -10.298 -6.926 1.00 14.22 C ATOM 478 O GLU A 31 -2.133 -9.137 -7.309 1.00 62.44 O ATOM 479 CB GLU A 31 -0.842 -12.102 -5.992 1.00 61.13 C ATOM 480 CG GLU A 31 0.060 -11.969 -7.212 1.00 30.04 C ATOM 481 CD GLU A 31 0.748 -13.263 -7.583 1.00 41.52 C ATOM 482 OE1 GLU A 31 0.048 -14.247 -7.893 1.00 64.03 O ATOM 483 OE2 GLU A 31 1.993 -13.297 -7.578 1.00 25.54 O ATOM 0 H GLU A 31 -2.598 -12.014 -4.247 1.00 64.33 H new ATOM 0 HA GLU A 31 -0.912 -10.059 -5.315 1.00 11.13 H new ATOM 0 HB2 GLU A 31 -0.237 -12.385 -5.131 1.00 61.13 H new ATOM 0 HB3 GLU A 31 -1.553 -12.911 -6.161 1.00 61.13 H new ATOM 0 HG2 GLU A 31 -0.533 -11.623 -8.059 1.00 30.04 H new ATOM 0 HG3 GLU A 31 0.814 -11.206 -7.018 1.00 30.04 H new ATOM 490 N ASP A 32 -3.100 -11.155 -7.550 1.00 34.14 N ATOM 491 CA ASP A 32 -3.714 -10.837 -8.832 1.00 22.31 C ATOM 492 C ASP A 32 -4.767 -9.747 -8.683 1.00 62.04 C ATOM 493 O ASP A 32 -4.868 -8.854 -9.523 1.00 54.55 O ATOM 494 CB ASP A 32 -4.329 -12.089 -9.452 1.00 10.42 C ATOM 495 CG ASP A 32 -4.917 -11.824 -10.821 1.00 61.11 C ATOM 496 OD1 ASP A 32 -4.140 -11.609 -11.779 1.00 63.33 O ATOM 497 OD2 ASP A 32 -6.154 -11.830 -10.951 1.00 24.33 O ATOM 0 H ASP A 32 -3.336 -12.079 -7.188 1.00 34.14 H new ATOM 0 HA ASP A 32 -2.934 -10.463 -9.495 1.00 22.31 H new ATOM 0 HB2 ASP A 32 -3.567 -12.864 -9.530 1.00 10.42 H new ATOM 0 HB3 ASP A 32 -5.108 -12.473 -8.793 1.00 10.42 H new ATOM 502 N PHE A 33 -5.527 -9.810 -7.599 1.00 72.21 N ATOM 503 CA PHE A 33 -6.554 -8.816 -7.319 1.00 52.42 C ATOM 504 C PHE A 33 -5.954 -7.416 -7.199 1.00 2.34 C ATOM 505 O PHE A 33 -6.451 -6.465 -7.808 1.00 2.43 O ATOM 506 CB PHE A 33 -7.310 -9.192 -6.035 1.00 14.44 C ATOM 507 CG PHE A 33 -7.747 -8.017 -5.207 1.00 4.22 C ATOM 508 CD1 PHE A 33 -8.822 -7.234 -5.598 1.00 12.34 C ATOM 509 CD2 PHE A 33 -7.063 -7.684 -4.044 1.00 73.54 C ATOM 510 CE1 PHE A 33 -9.210 -6.143 -4.846 1.00 60.42 C ATOM 511 CE2 PHE A 33 -7.447 -6.593 -3.293 1.00 24.13 C ATOM 512 CZ PHE A 33 -8.520 -5.822 -3.694 1.00 64.12 C ATOM 0 H PHE A 33 -5.451 -10.544 -6.895 1.00 72.21 H new ATOM 0 HA PHE A 33 -7.255 -8.803 -8.154 1.00 52.42 H new ATOM 0 HB2 PHE A 33 -8.188 -9.779 -6.303 1.00 14.44 H new ATOM 0 HB3 PHE A 33 -6.672 -9.833 -5.426 1.00 14.44 H new ATOM 0 HD1 PHE A 33 -9.362 -7.480 -6.500 1.00 12.34 H new ATOM 0 HD2 PHE A 33 -6.224 -8.285 -3.726 1.00 73.54 H new ATOM 0 HE1 PHE A 33 -10.051 -5.542 -5.158 1.00 60.42 H new ATOM 0 HE2 PHE A 33 -6.908 -6.342 -2.391 1.00 24.13 H new ATOM 0 HZ PHE A 33 -8.820 -4.967 -3.106 1.00 64.12 H new ATOM 522 N ARG A 34 -4.878 -7.294 -6.429 1.00 52.20 N ATOM 523 CA ARG A 34 -4.299 -5.989 -6.157 1.00 10.31 C ATOM 524 C ARG A 34 -3.717 -5.386 -7.420 1.00 5.13 C ATOM 525 O ARG A 34 -3.951 -4.213 -7.713 1.00 33.44 O ATOM 526 CB ARG A 34 -3.210 -6.074 -5.096 1.00 22.12 C ATOM 527 CG ARG A 34 -2.742 -4.715 -4.614 1.00 44.31 C ATOM 528 CD ARG A 34 -3.773 -4.073 -3.694 1.00 23.13 C ATOM 529 NE ARG A 34 -3.324 -2.771 -3.195 1.00 72.10 N ATOM 530 CZ ARG A 34 -4.063 -1.952 -2.442 1.00 61.11 C ATOM 531 NH1 ARG A 34 -5.290 -2.301 -2.067 1.00 34.21 N ATOM 532 NH2 ARG A 34 -3.567 -0.781 -2.064 1.00 12.20 N ATOM 0 H ARG A 34 -4.395 -8.076 -5.987 1.00 52.20 H new ATOM 0 HA ARG A 34 -5.102 -5.352 -5.786 1.00 10.31 H new ATOM 0 HB2 ARG A 34 -3.583 -6.646 -4.246 1.00 22.12 H new ATOM 0 HB3 ARG A 34 -2.359 -6.622 -5.500 1.00 22.12 H new ATOM 0 HG2 ARG A 34 -1.794 -4.820 -4.086 1.00 44.31 H new ATOM 0 HG3 ARG A 34 -2.560 -4.065 -5.470 1.00 44.31 H new ATOM 0 HD2 ARG A 34 -4.713 -3.951 -4.232 1.00 23.13 H new ATOM 0 HD3 ARG A 34 -3.971 -4.736 -2.852 1.00 23.13 H new ATOM 0 HE ARG A 34 -2.381 -2.469 -3.440 1.00 72.10 H new ATOM 0 HH11 ARG A 34 -5.675 -3.201 -2.354 1.00 34.21 H new ATOM 0 HH12 ARG A 34 -5.847 -1.669 -1.492 1.00 34.21 H new ATOM 0 HH21 ARG A 34 -2.626 -0.510 -2.348 1.00 12.20 H new ATOM 0 HH22 ARG A 34 -4.127 -0.152 -1.489 1.00 12.20 H new ATOM 546 N ARG A 35 -2.966 -6.185 -8.169 1.00 40.23 N ATOM 547 CA ARG A 35 -2.318 -5.673 -9.360 1.00 63.31 C ATOM 548 C ARG A 35 -3.351 -5.216 -10.381 1.00 31.44 C ATOM 549 O ARG A 35 -3.177 -4.169 -10.986 1.00 0.41 O ATOM 550 CB ARG A 35 -1.343 -6.689 -9.974 1.00 4.05 C ATOM 551 CG ARG A 35 -1.982 -7.976 -10.458 1.00 52.33 C ATOM 552 CD ARG A 35 -0.960 -8.865 -11.147 1.00 53.13 C ATOM 553 NE ARG A 35 -1.523 -10.163 -11.507 1.00 72.31 N ATOM 554 CZ ARG A 35 -0.832 -11.299 -11.540 1.00 1.54 C ATOM 555 NH1 ARG A 35 0.466 -11.311 -11.261 1.00 0.24 N ATOM 556 NH2 ARG A 35 -1.442 -12.426 -11.868 1.00 25.34 N ATOM 0 H ARG A 35 -2.795 -7.172 -7.974 1.00 40.23 H new ATOM 0 HA ARG A 35 -1.725 -4.809 -9.060 1.00 63.31 H new ATOM 0 HB2 ARG A 35 -0.830 -6.217 -10.812 1.00 4.05 H new ATOM 0 HB3 ARG A 35 -0.583 -6.935 -9.233 1.00 4.05 H new ATOM 0 HG2 ARG A 35 -2.422 -8.508 -9.614 1.00 52.33 H new ATOM 0 HG3 ARG A 35 -2.794 -7.746 -11.148 1.00 52.33 H new ATOM 0 HD2 ARG A 35 -0.592 -8.367 -12.044 1.00 53.13 H new ATOM 0 HD3 ARG A 35 -0.103 -9.011 -10.489 1.00 53.13 H new ATOM 0 HE ARG A 35 -2.513 -10.201 -11.750 1.00 72.31 H new ATOM 0 HH11 ARG A 35 0.943 -10.443 -11.018 1.00 0.24 H new ATOM 0 HH12 ARG A 35 0.986 -12.188 -11.289 1.00 0.24 H new ATOM 0 HH21 ARG A 35 -2.437 -12.421 -12.094 1.00 25.34 H new ATOM 0 HH22 ARG A 35 -0.918 -13.300 -11.895 1.00 25.34 H new ATOM 570 N ARG A 36 -4.443 -5.972 -10.538 1.00 20.21 N ATOM 571 CA ARG A 36 -5.511 -5.577 -11.458 1.00 13.51 C ATOM 572 C ARG A 36 -6.066 -4.214 -11.073 1.00 60.42 C ATOM 573 O ARG A 36 -6.019 -3.271 -11.860 1.00 23.31 O ATOM 574 CB ARG A 36 -6.670 -6.581 -11.470 1.00 70.11 C ATOM 575 CG ARG A 36 -6.339 -7.938 -12.060 1.00 2.34 C ATOM 576 CD ARG A 36 -7.613 -8.720 -12.341 1.00 60.11 C ATOM 577 NE ARG A 36 -7.363 -10.141 -12.550 1.00 50.12 N ATOM 578 CZ ARG A 36 -8.080 -10.921 -13.355 1.00 3.44 C ATOM 579 NH1 ARG A 36 -9.035 -10.411 -14.124 1.00 1.52 N ATOM 580 NH2 ARG A 36 -7.823 -12.220 -13.396 1.00 43.52 N ATOM 0 H ARG A 36 -4.608 -6.850 -10.046 1.00 20.21 H new ATOM 0 HA ARG A 36 -5.066 -5.545 -12.452 1.00 13.51 H new ATOM 0 HB2 ARG A 36 -7.019 -6.722 -10.447 1.00 70.11 H new ATOM 0 HB3 ARG A 36 -7.498 -6.150 -12.032 1.00 70.11 H new ATOM 0 HG2 ARG A 36 -5.771 -7.812 -12.982 1.00 2.34 H new ATOM 0 HG3 ARG A 36 -5.707 -8.497 -11.370 1.00 2.34 H new ATOM 0 HD2 ARG A 36 -8.303 -8.595 -11.507 1.00 60.11 H new ATOM 0 HD3 ARG A 36 -8.101 -8.307 -13.224 1.00 60.11 H new ATOM 0 HE ARG A 36 -6.586 -10.566 -12.045 1.00 50.12 H new ATOM 0 HH11 ARG A 36 -9.227 -9.409 -14.102 1.00 1.52 H new ATOM 0 HH12 ARG A 36 -9.577 -11.021 -14.736 1.00 1.52 H new ATOM 0 HH21 ARG A 36 -7.082 -12.612 -12.814 1.00 43.52 H new ATOM 0 HH22 ARG A 36 -8.366 -12.828 -14.009 1.00 43.52 H new ATOM 594 N ALA A 37 -6.574 -4.123 -9.848 1.00 32.42 N ATOM 595 CA ALA A 37 -7.219 -2.910 -9.369 1.00 3.33 C ATOM 596 C ALA A 37 -6.286 -1.707 -9.452 1.00 31.43 C ATOM 597 O ALA A 37 -6.666 -0.651 -9.949 1.00 15.50 O ATOM 598 CB ALA A 37 -7.706 -3.107 -7.941 1.00 44.01 C ATOM 0 H ALA A 37 -6.550 -4.882 -9.167 1.00 32.42 H new ATOM 0 HA ALA A 37 -8.074 -2.707 -10.014 1.00 3.33 H new ATOM 0 HB1 ALA A 37 -8.187 -2.194 -7.591 1.00 44.01 H new ATOM 0 HB2 ALA A 37 -8.422 -3.929 -7.911 1.00 44.01 H new ATOM 0 HB3 ALA A 37 -6.858 -3.340 -7.296 1.00 44.01 H new ATOM 604 N LEU A 38 -5.060 -1.877 -8.987 1.00 21.10 N ATOM 605 CA LEU A 38 -4.114 -0.771 -8.927 1.00 74.11 C ATOM 606 C LEU A 38 -3.574 -0.405 -10.305 1.00 12.21 C ATOM 607 O LEU A 38 -3.502 0.770 -10.655 1.00 63.04 O ATOM 608 CB LEU A 38 -2.965 -1.096 -7.972 1.00 13.12 C ATOM 609 CG LEU A 38 -3.200 -0.710 -6.507 1.00 3.05 C ATOM 610 CD1 LEU A 38 -4.518 -1.271 -5.990 1.00 10.22 C ATOM 611 CD2 LEU A 38 -2.049 -1.200 -5.646 1.00 55.10 C ATOM 0 H LEU A 38 -4.695 -2.766 -8.646 1.00 21.10 H new ATOM 0 HA LEU A 38 -4.655 0.096 -8.547 1.00 74.11 H new ATOM 0 HB2 LEU A 38 -2.766 -2.167 -8.021 1.00 13.12 H new ATOM 0 HB3 LEU A 38 -2.067 -0.588 -8.325 1.00 13.12 H new ATOM 0 HG LEU A 38 -3.253 0.377 -6.450 1.00 3.05 H new ATOM 0 HD11 LEU A 38 -4.654 -0.979 -4.949 1.00 10.22 H new ATOM 0 HD12 LEU A 38 -5.340 -0.878 -6.588 1.00 10.22 H new ATOM 0 HD13 LEU A 38 -4.504 -2.358 -6.063 1.00 10.22 H new ATOM 0 HD21 LEU A 38 -2.227 -0.920 -4.608 1.00 55.10 H new ATOM 0 HD22 LEU A 38 -1.974 -2.285 -5.722 1.00 55.10 H new ATOM 0 HD23 LEU A 38 -1.119 -0.747 -5.990 1.00 55.10 H new ATOM 623 N THR A 39 -3.220 -1.398 -11.105 1.00 73.33 N ATOM 624 CA THR A 39 -2.625 -1.117 -12.399 1.00 21.24 C ATOM 625 C THR A 39 -3.652 -0.476 -13.331 1.00 51.22 C ATOM 626 O THR A 39 -3.296 0.250 -14.263 1.00 52.24 O ATOM 627 CB THR A 39 -2.018 -2.383 -13.047 1.00 5.45 C ATOM 628 OG1 THR A 39 -1.017 -2.010 -13.998 1.00 24.32 O ATOM 629 CG2 THR A 39 -3.078 -3.225 -13.742 1.00 75.51 C ATOM 0 H THR A 39 -3.332 -2.388 -10.886 1.00 73.33 H new ATOM 0 HA THR A 39 -1.808 -0.414 -12.236 1.00 21.24 H new ATOM 0 HB THR A 39 -1.576 -2.980 -12.249 1.00 5.45 H new ATOM 0 HG1 THR A 39 -0.635 -2.816 -14.404 1.00 24.32 H new ATOM 0 HG21 THR A 39 -2.611 -4.105 -14.184 1.00 75.51 H new ATOM 0 HG22 THR A 39 -3.828 -3.538 -13.015 1.00 75.51 H new ATOM 0 HG23 THR A 39 -3.555 -2.635 -14.525 1.00 75.51 H new ATOM 637 N VAL A 40 -4.929 -0.714 -13.058 1.00 62.22 N ATOM 638 CA VAL A 40 -5.983 -0.136 -13.868 1.00 13.24 C ATOM 639 C VAL A 40 -6.374 1.244 -13.337 1.00 2.30 C ATOM 640 O VAL A 40 -6.891 2.080 -14.078 1.00 75.15 O ATOM 641 CB VAL A 40 -7.214 -1.064 -13.959 1.00 14.02 C ATOM 642 CG1 VAL A 40 -8.053 -1.010 -12.697 1.00 24.40 C ATOM 643 CG2 VAL A 40 -8.049 -0.734 -15.186 1.00 63.21 C ATOM 0 H VAL A 40 -5.254 -1.299 -12.288 1.00 62.22 H new ATOM 0 HA VAL A 40 -5.594 -0.020 -14.880 1.00 13.24 H new ATOM 0 HB VAL A 40 -6.848 -2.086 -14.060 1.00 14.02 H new ATOM 0 HG11 VAL A 40 -8.909 -1.676 -12.801 1.00 24.40 H new ATOM 0 HG12 VAL A 40 -7.450 -1.324 -11.845 1.00 24.40 H new ATOM 0 HG13 VAL A 40 -8.404 0.009 -12.537 1.00 24.40 H new ATOM 0 HG21 VAL A 40 -8.911 -1.400 -15.230 1.00 63.21 H new ATOM 0 HG22 VAL A 40 -8.392 0.299 -15.126 1.00 63.21 H new ATOM 0 HG23 VAL A 40 -7.444 -0.864 -16.083 1.00 63.21 H new ATOM 653 N VAL A 41 -6.111 1.490 -12.052 1.00 24.31 N ATOM 654 CA VAL A 41 -6.229 2.838 -11.507 1.00 44.13 C ATOM 655 C VAL A 41 -4.880 3.541 -11.614 1.00 73.31 C ATOM 656 O VAL A 41 -4.674 4.608 -11.038 1.00 1.02 O ATOM 657 CB VAL A 41 -6.730 2.867 -10.042 1.00 31.51 C ATOM 658 CG1 VAL A 41 -8.077 2.172 -9.925 1.00 64.50 C ATOM 659 CG2 VAL A 41 -5.716 2.249 -9.089 1.00 64.20 C ATOM 0 H VAL A 41 -5.819 0.781 -11.379 1.00 24.31 H new ATOM 0 HA VAL A 41 -6.983 3.360 -12.097 1.00 44.13 H new ATOM 0 HB VAL A 41 -6.852 3.911 -9.754 1.00 31.51 H new ATOM 0 HG11 VAL A 41 -8.413 2.202 -8.889 1.00 64.50 H new ATOM 0 HG12 VAL A 41 -8.805 2.680 -10.558 1.00 64.50 H new ATOM 0 HG13 VAL A 41 -7.980 1.135 -10.245 1.00 64.50 H new ATOM 0 HG21 VAL A 41 -6.103 2.288 -8.071 1.00 64.20 H new ATOM 0 HG22 VAL A 41 -5.538 1.211 -9.370 1.00 64.20 H new ATOM 0 HG23 VAL A 41 -4.780 2.805 -9.143 1.00 64.20 H new ATOM 669 N ASP A 42 -3.974 2.887 -12.348 1.00 74.45 N ATOM 670 CA ASP A 42 -2.678 3.444 -12.752 1.00 2.21 C ATOM 671 C ASP A 42 -1.617 3.181 -11.695 1.00 35.04 C ATOM 672 O ASP A 42 -1.517 3.900 -10.707 1.00 2.15 O ATOM 673 CB ASP A 42 -2.745 4.949 -13.064 1.00 74.05 C ATOM 674 CG ASP A 42 -3.678 5.296 -14.210 1.00 73.42 C ATOM 675 OD1 ASP A 42 -3.241 5.241 -15.378 1.00 61.12 O ATOM 676 OD2 ASP A 42 -4.854 5.648 -13.946 1.00 72.44 O ATOM 0 H ASP A 42 -4.124 1.936 -12.685 1.00 74.45 H new ATOM 0 HA ASP A 42 -2.403 2.933 -13.674 1.00 2.21 H new ATOM 0 HB2 ASP A 42 -3.069 5.482 -12.170 1.00 74.05 H new ATOM 0 HB3 ASP A 42 -1.743 5.306 -13.303 1.00 74.05 H new ATOM 681 N GLN A 43 -0.851 2.117 -11.893 1.00 4.51 N ATOM 682 CA GLN A 43 0.286 1.829 -11.028 1.00 0.14 C ATOM 683 C GLN A 43 1.492 1.407 -11.865 1.00 23.21 C ATOM 684 O GLN A 43 2.589 1.209 -11.344 1.00 35.13 O ATOM 685 CB GLN A 43 -0.061 0.721 -10.028 1.00 22.11 C ATOM 686 CG GLN A 43 0.117 -0.690 -10.577 1.00 24.34 C ATOM 687 CD GLN A 43 0.061 -1.752 -9.492 1.00 70.52 C ATOM 688 OE1 GLN A 43 -0.318 -2.964 -9.863 1.00 1.25 O flip ATOM 689 NE2 GLN A 43 0.385 -1.496 -8.333 1.00 13.01 N flip ATOM 0 H GLN A 43 -0.995 1.440 -12.643 1.00 4.51 H new ATOM 0 HA GLN A 43 0.531 2.736 -10.475 1.00 0.14 H new ATOM 0 HB2 GLN A 43 0.564 0.836 -9.143 1.00 22.11 H new ATOM 0 HB3 GLN A 43 -1.095 0.847 -9.707 1.00 22.11 H new ATOM 0 HG2 GLN A 43 -0.660 -0.889 -11.315 1.00 24.34 H new ATOM 0 HG3 GLN A 43 1.074 -0.756 -11.095 1.00 24.34 H new ATOM 0 HE21 GLN A 43 0.672 -0.550 -8.081 1.00 13.01 H new ATOM 0 HE22 GLN A 43 0.366 -2.229 -7.624 1.00 13.01 H new ATOM 698 N ASP A 44 1.278 1.287 -13.169 1.00 22.41 N ATOM 699 CA ASP A 44 2.285 0.724 -14.065 1.00 75.43 C ATOM 700 C ASP A 44 2.204 1.319 -15.478 1.00 14.03 C ATOM 701 O ASP A 44 3.207 1.823 -15.982 1.00 42.32 O ATOM 702 CB ASP A 44 2.154 -0.804 -14.111 1.00 54.20 C ATOM 703 CG ASP A 44 2.907 -1.430 -15.272 1.00 14.43 C ATOM 704 OD1 ASP A 44 4.140 -1.264 -15.352 1.00 21.33 O ATOM 705 OD2 ASP A 44 2.259 -2.090 -16.113 1.00 30.54 O ATOM 0 H ASP A 44 0.415 1.572 -13.632 1.00 22.41 H new ATOM 0 HA ASP A 44 3.264 0.988 -13.666 1.00 75.43 H new ATOM 0 HB2 ASP A 44 2.526 -1.223 -13.176 1.00 54.20 H new ATOM 0 HB3 ASP A 44 1.100 -1.071 -14.183 1.00 54.20 H new ATOM 710 N PRO A 45 1.021 1.301 -16.142 1.00 74.32 N ATOM 711 CA PRO A 45 0.891 1.790 -17.523 1.00 4.25 C ATOM 712 C PRO A 45 0.913 3.317 -17.617 1.00 5.45 C ATOM 713 O PRO A 45 0.580 3.888 -18.655 1.00 64.32 O ATOM 714 CB PRO A 45 -0.477 1.259 -17.993 1.00 34.22 C ATOM 715 CG PRO A 45 -0.958 0.344 -16.917 1.00 13.00 C ATOM 716 CD PRO A 45 -0.267 0.801 -15.641 1.00 30.01 C ATOM 0 HA PRO A 45 1.727 1.448 -18.133 1.00 4.25 H new ATOM 0 HB2 PRO A 45 -1.179 2.078 -18.151 1.00 34.22 H new ATOM 0 HB3 PRO A 45 -0.385 0.730 -18.942 1.00 34.22 H new ATOM 0 HG2 PRO A 45 -2.042 0.397 -16.815 1.00 13.00 H new ATOM 0 HG3 PRO A 45 -0.710 -0.692 -17.146 1.00 13.00 H new ATOM 0 HD2 PRO A 45 -0.833 1.579 -15.128 1.00 30.01 H new ATOM 0 HD3 PRO A 45 -0.138 -0.018 -14.933 1.00 30.01 H new ATOM 724 N GLY A 46 1.305 3.968 -16.534 1.00 44.25 N ATOM 725 CA GLY A 46 1.374 5.411 -16.512 1.00 54.05 C ATOM 726 C GLY A 46 2.054 5.915 -15.259 1.00 65.02 C ATOM 727 O GLY A 46 2.207 5.172 -14.289 1.00 1.11 O ATOM 0 H GLY A 46 1.579 3.516 -15.662 1.00 44.25 H new ATOM 0 HA2 GLY A 46 1.917 5.764 -17.389 1.00 54.05 H new ATOM 0 HA3 GLY A 46 0.368 5.825 -16.573 1.00 54.05 H new ATOM 731 N GLN A 47 2.468 7.169 -15.273 1.00 2.32 N ATOM 732 CA GLN A 47 3.123 7.762 -14.123 1.00 25.14 C ATOM 733 C GLN A 47 2.160 8.710 -13.420 1.00 1.11 C ATOM 734 O GLN A 47 1.969 9.852 -13.838 1.00 33.24 O ATOM 735 CB GLN A 47 4.403 8.484 -14.555 1.00 24.24 C ATOM 736 CG GLN A 47 5.290 8.899 -13.394 1.00 53.12 C ATOM 737 CD GLN A 47 6.676 9.317 -13.843 1.00 64.51 C ATOM 738 OE1 GLN A 47 6.925 10.487 -14.126 1.00 52.22 O ATOM 739 NE2 GLN A 47 7.589 8.360 -13.912 1.00 52.02 N ATOM 0 H GLN A 47 2.362 7.797 -16.070 1.00 2.32 H new ATOM 0 HA GLN A 47 3.407 6.978 -13.421 1.00 25.14 H new ATOM 0 HB2 GLN A 47 4.970 7.833 -15.220 1.00 24.24 H new ATOM 0 HB3 GLN A 47 4.134 9.370 -15.130 1.00 24.24 H new ATOM 0 HG2 GLN A 47 4.820 9.725 -12.859 1.00 53.12 H new ATOM 0 HG3 GLN A 47 5.374 8.070 -12.691 1.00 53.12 H new ATOM 0 HE21 GLN A 47 7.342 7.401 -13.668 1.00 52.02 H new ATOM 0 HE22 GLN A 47 8.539 8.582 -14.209 1.00 52.02 H new ATOM 748 N VAL A 48 1.536 8.212 -12.367 1.00 40.31 N ATOM 749 CA VAL A 48 0.490 8.939 -11.664 1.00 52.41 C ATOM 750 C VAL A 48 0.916 9.208 -10.223 1.00 42.44 C ATOM 751 O VAL A 48 1.829 8.554 -9.720 1.00 14.44 O ATOM 752 CB VAL A 48 -0.820 8.116 -11.680 1.00 51.11 C ATOM 753 CG1 VAL A 48 -0.658 6.852 -10.852 1.00 63.53 C ATOM 754 CG2 VAL A 48 -2.005 8.935 -11.204 1.00 61.40 C ATOM 0 H VAL A 48 1.739 7.293 -11.974 1.00 40.31 H new ATOM 0 HA VAL A 48 0.321 9.892 -12.166 1.00 52.41 H new ATOM 0 HB VAL A 48 -1.025 7.831 -12.712 1.00 51.11 H new ATOM 0 HG11 VAL A 48 -1.587 6.282 -10.872 1.00 63.53 H new ATOM 0 HG12 VAL A 48 0.148 6.246 -11.267 1.00 63.53 H new ATOM 0 HG13 VAL A 48 -0.418 7.119 -9.823 1.00 63.53 H new ATOM 0 HG21 VAL A 48 -2.905 8.321 -11.230 1.00 61.40 H new ATOM 0 HG22 VAL A 48 -1.826 9.274 -10.184 1.00 61.40 H new ATOM 0 HG23 VAL A 48 -2.136 9.799 -11.856 1.00 61.40 H new ATOM 764 N GLU A 49 0.273 10.170 -9.568 1.00 75.23 N ATOM 765 CA GLU A 49 0.549 10.452 -8.169 1.00 54.22 C ATOM 766 C GLU A 49 -0.400 9.666 -7.273 1.00 13.21 C ATOM 767 O GLU A 49 -1.574 10.016 -7.123 1.00 72.44 O ATOM 768 CB GLU A 49 0.424 11.950 -7.879 1.00 10.31 C ATOM 769 CG GLU A 49 0.746 12.317 -6.437 1.00 45.02 C ATOM 770 CD GLU A 49 0.566 13.794 -6.147 1.00 44.45 C ATOM 771 OE1 GLU A 49 1.400 14.601 -6.605 1.00 13.51 O ATOM 772 OE2 GLU A 49 -0.409 14.158 -5.457 1.00 3.01 O ATOM 0 H GLU A 49 -0.442 10.765 -9.986 1.00 75.23 H new ATOM 0 HA GLU A 49 1.573 10.144 -7.957 1.00 54.22 H new ATOM 0 HB2 GLU A 49 1.092 12.498 -8.543 1.00 10.31 H new ATOM 0 HB3 GLU A 49 -0.591 12.274 -8.110 1.00 10.31 H new ATOM 0 HG2 GLU A 49 0.105 11.741 -5.770 1.00 45.02 H new ATOM 0 HG3 GLU A 49 1.775 12.032 -6.216 1.00 45.02 H new ATOM 779 N TRP A 50 0.104 8.596 -6.688 1.00 12.53 N ATOM 780 CA TRP A 50 -0.720 7.765 -5.829 1.00 43.35 C ATOM 781 C TRP A 50 0.070 7.285 -4.630 1.00 2.23 C ATOM 782 O TRP A 50 1.263 7.577 -4.502 1.00 10.14 O ATOM 783 CB TRP A 50 -1.303 6.570 -6.602 1.00 50.11 C ATOM 784 CG TRP A 50 -0.300 5.572 -7.105 1.00 25.22 C ATOM 785 CD1 TRP A 50 0.617 5.756 -8.097 1.00 34.24 C ATOM 786 CD2 TRP A 50 -0.146 4.217 -6.665 1.00 60.14 C ATOM 787 NE1 TRP A 50 1.338 4.604 -8.294 1.00 75.13 N ATOM 788 CE2 TRP A 50 0.892 3.647 -7.426 1.00 71.11 C ATOM 789 CE3 TRP A 50 -0.777 3.434 -5.697 1.00 14.02 C ATOM 790 CZ2 TRP A 50 1.309 2.331 -7.251 1.00 63.42 C ATOM 791 CZ3 TRP A 50 -0.362 2.127 -5.525 1.00 14.24 C ATOM 792 CH2 TRP A 50 0.673 1.587 -6.296 1.00 35.41 C ATOM 0 H TRP A 50 1.070 8.283 -6.790 1.00 12.53 H new ATOM 0 HA TRP A 50 -1.551 8.375 -5.475 1.00 43.35 H new ATOM 0 HB2 TRP A 50 -2.011 6.052 -5.955 1.00 50.11 H new ATOM 0 HB3 TRP A 50 -1.868 6.951 -7.453 1.00 50.11 H new ATOM 0 HD1 TRP A 50 0.756 6.674 -8.648 1.00 34.24 H new ATOM 0 HE1 TRP A 50 2.085 4.482 -8.977 1.00 75.13 H new ATOM 0 HE3 TRP A 50 -1.575 3.842 -5.094 1.00 14.02 H new ATOM 0 HZ2 TRP A 50 2.106 1.912 -7.848 1.00 63.42 H new ATOM 0 HZ3 TRP A 50 -0.846 1.511 -4.781 1.00 14.24 H new ATOM 0 HH2 TRP A 50 0.975 0.563 -6.134 1.00 35.41 H new ATOM 803 N PHE A 51 -0.599 6.586 -3.731 1.00 51.31 N ATOM 804 CA PHE A 51 0.086 5.958 -2.621 1.00 23.22 C ATOM 805 C PHE A 51 -0.834 5.032 -1.843 1.00 41.40 C ATOM 806 O PHE A 51 -2.060 5.087 -1.982 1.00 5.12 O ATOM 807 CB PHE A 51 0.717 7.008 -1.701 1.00 15.34 C ATOM 808 CG PHE A 51 -0.233 7.857 -0.899 1.00 60.25 C ATOM 809 CD1 PHE A 51 -0.793 7.367 0.268 1.00 11.32 C ATOM 810 CD2 PHE A 51 -0.518 9.155 -1.283 1.00 10.13 C ATOM 811 CE1 PHE A 51 -1.624 8.148 1.035 1.00 64.25 C ATOM 812 CE2 PHE A 51 -1.346 9.949 -0.513 1.00 24.41 C ATOM 813 CZ PHE A 51 -1.901 9.444 0.648 1.00 0.33 C ATOM 0 H PHE A 51 -1.608 6.441 -3.749 1.00 51.31 H new ATOM 0 HA PHE A 51 0.887 5.346 -3.036 1.00 23.22 H new ATOM 0 HB2 PHE A 51 1.386 6.497 -1.008 1.00 15.34 H new ATOM 0 HB3 PHE A 51 1.334 7.669 -2.310 1.00 15.34 H new ATOM 0 HD1 PHE A 51 -0.574 6.357 0.580 1.00 11.32 H new ATOM 0 HD2 PHE A 51 -0.090 9.551 -2.192 1.00 10.13 H new ATOM 0 HE1 PHE A 51 -2.060 7.749 1.939 1.00 64.25 H new ATOM 0 HE2 PHE A 51 -1.559 10.963 -0.818 1.00 24.41 H new ATOM 0 HZ PHE A 51 -2.550 10.062 1.251 1.00 0.33 H new ATOM 823 N VAL A 52 -0.233 4.174 -1.031 1.00 34.50 N ATOM 824 CA VAL A 52 -0.992 3.247 -0.206 1.00 33.20 C ATOM 825 C VAL A 52 -0.651 3.438 1.261 1.00 13.32 C ATOM 826 O VAL A 52 0.462 3.842 1.608 1.00 1.55 O ATOM 827 CB VAL A 52 -0.748 1.769 -0.597 1.00 31.44 C ATOM 828 CG1 VAL A 52 -1.034 1.540 -2.069 1.00 35.23 C ATOM 829 CG2 VAL A 52 0.668 1.336 -0.261 1.00 64.41 C ATOM 0 H VAL A 52 0.779 4.101 -0.926 1.00 34.50 H new ATOM 0 HA VAL A 52 -2.045 3.470 -0.377 1.00 33.20 H new ATOM 0 HB VAL A 52 -1.438 1.159 -0.013 1.00 31.44 H new ATOM 0 HG11 VAL A 52 -0.854 0.494 -2.316 1.00 35.23 H new ATOM 0 HG12 VAL A 52 -2.074 1.790 -2.281 1.00 35.23 H new ATOM 0 HG13 VAL A 52 -0.380 2.172 -2.669 1.00 35.23 H new ATOM 0 HG21 VAL A 52 0.807 0.294 -0.548 1.00 64.41 H new ATOM 0 HG22 VAL A 52 1.378 1.960 -0.804 1.00 64.41 H new ATOM 0 HG23 VAL A 52 0.837 1.443 0.811 1.00 64.41 H new ATOM 839 N LEU A 53 -1.615 3.154 2.116 1.00 44.31 N ATOM 840 CA LEU A 53 -1.416 3.263 3.547 1.00 41.44 C ATOM 841 C LEU A 53 -2.281 2.255 4.289 1.00 73.14 C ATOM 842 O LEU A 53 -3.307 1.804 3.776 1.00 53.55 O ATOM 843 CB LEU A 53 -1.654 4.712 4.061 1.00 63.30 C ATOM 844 CG LEU A 53 -3.038 5.383 3.853 1.00 20.55 C ATOM 845 CD1 LEU A 53 -3.471 5.382 2.396 1.00 65.24 C ATOM 846 CD2 LEU A 53 -4.104 4.756 4.738 1.00 64.34 C ATOM 0 H LEU A 53 -2.548 2.845 1.842 1.00 44.31 H new ATOM 0 HA LEU A 53 -0.372 3.028 3.753 1.00 41.44 H new ATOM 0 HB2 LEU A 53 -1.447 4.716 5.131 1.00 63.30 H new ATOM 0 HB3 LEU A 53 -0.908 5.352 3.590 1.00 63.30 H new ATOM 0 HG LEU A 53 -2.922 6.425 4.152 1.00 20.55 H new ATOM 0 HD11 LEU A 53 -4.445 5.863 2.306 1.00 65.24 H new ATOM 0 HD12 LEU A 53 -2.740 5.928 1.799 1.00 65.24 H new ATOM 0 HD13 LEU A 53 -3.539 4.355 2.037 1.00 65.24 H new ATOM 0 HD21 LEU A 53 -5.059 5.252 4.564 1.00 64.34 H new ATOM 0 HD22 LEU A 53 -4.197 3.696 4.500 1.00 64.34 H new ATOM 0 HD23 LEU A 53 -3.821 4.870 5.784 1.00 64.34 H new ATOM 858 N ASN A 54 -1.839 1.874 5.476 1.00 25.21 N ATOM 859 CA ASN A 54 -2.627 0.998 6.337 1.00 11.14 C ATOM 860 C ASN A 54 -3.740 1.802 7.005 1.00 24.44 C ATOM 861 O ASN A 54 -3.483 2.857 7.582 1.00 30.23 O ATOM 862 CB ASN A 54 -1.739 0.318 7.383 1.00 50.43 C ATOM 863 CG ASN A 54 -0.954 -0.852 6.804 1.00 62.34 C ATOM 864 OD1 ASN A 54 0.225 -0.582 6.260 1.00 10.41 O flip ATOM 865 ND2 ASN A 54 -1.412 -1.989 6.834 1.00 71.40 N flip ATOM 0 H ASN A 54 -0.940 2.155 5.868 1.00 25.21 H new ATOM 0 HA ASN A 54 -3.076 0.214 5.728 1.00 11.14 H new ATOM 0 HB2 ASN A 54 -1.044 1.049 7.797 1.00 50.43 H new ATOM 0 HB3 ASN A 54 -2.358 -0.036 8.207 1.00 50.43 H new ATOM 0 HD21 ASN A 54 -2.322 -2.161 7.261 1.00 71.40 H new ATOM 0 HD22 ASN A 54 -0.883 -2.763 6.432 1.00 71.40 H new ATOM 872 N ALA A 55 -4.969 1.299 6.914 1.00 42.51 N ATOM 873 CA ALA A 55 -6.157 2.076 7.274 1.00 61.01 C ATOM 874 C ALA A 55 -6.331 2.251 8.787 1.00 10.34 C ATOM 875 O ALA A 55 -5.754 3.160 9.384 1.00 60.41 O ATOM 876 CB ALA A 55 -7.402 1.447 6.659 1.00 3.50 C ATOM 0 H ALA A 55 -5.171 0.352 6.593 1.00 42.51 H new ATOM 0 HA ALA A 55 -6.013 3.077 6.866 1.00 61.01 H new ATOM 0 HB1 ALA A 55 -8.279 2.033 6.933 1.00 3.50 H new ATOM 0 HB2 ALA A 55 -7.302 1.429 5.574 1.00 3.50 H new ATOM 0 HB3 ALA A 55 -7.516 0.428 7.030 1.00 3.50 H new ATOM 882 N GLU A 56 -7.118 1.382 9.414 1.00 71.12 N ATOM 883 CA GLU A 56 -7.460 1.566 10.817 1.00 2.11 C ATOM 884 C GLU A 56 -6.936 0.419 11.669 1.00 4.51 C ATOM 885 O GLU A 56 -6.066 0.611 12.514 1.00 35.54 O ATOM 886 CB GLU A 56 -8.976 1.703 10.971 1.00 44.41 C ATOM 887 CG GLU A 56 -9.401 2.234 12.328 1.00 40.35 C ATOM 888 CD GLU A 56 -8.733 3.553 12.662 1.00 61.25 C ATOM 889 OE1 GLU A 56 -9.111 4.585 12.077 1.00 61.03 O ATOM 890 OE2 GLU A 56 -7.808 3.559 13.501 1.00 51.10 O ATOM 0 H GLU A 56 -7.525 0.555 8.978 1.00 71.12 H new ATOM 0 HA GLU A 56 -6.983 2.481 11.168 1.00 2.11 H new ATOM 0 HB2 GLU A 56 -9.353 2.369 10.195 1.00 44.41 H new ATOM 0 HB3 GLU A 56 -9.439 0.730 10.809 1.00 44.41 H new ATOM 0 HG2 GLU A 56 -10.483 2.363 12.343 1.00 40.35 H new ATOM 0 HG3 GLU A 56 -9.157 1.500 13.096 1.00 40.35 H new ATOM 897 N SER A 57 -7.444 -0.774 11.429 1.00 50.21 N ATOM 898 CA SER A 57 -7.008 -1.931 12.182 1.00 74.11 C ATOM 899 C SER A 57 -5.867 -2.598 11.440 1.00 65.50 C ATOM 900 O SER A 57 -4.730 -2.575 11.905 1.00 23.53 O ATOM 901 CB SER A 57 -8.161 -2.912 12.392 1.00 62.54 C ATOM 902 OG SER A 57 -9.229 -2.311 13.103 1.00 14.34 O ATOM 0 H SER A 57 -8.155 -0.966 10.723 1.00 50.21 H new ATOM 0 HA SER A 57 -6.666 -1.612 13.167 1.00 74.11 H new ATOM 0 HB2 SER A 57 -8.519 -3.267 11.426 1.00 62.54 H new ATOM 0 HB3 SER A 57 -7.803 -3.784 12.939 1.00 62.54 H new ATOM 0 HG SER A 57 -9.952 -2.963 13.220 1.00 14.34 H new ATOM 908 N ASN A 58 -6.195 -3.161 10.271 1.00 43.21 N ATOM 909 CA ASN A 58 -5.231 -3.783 9.341 1.00 54.31 C ATOM 910 C ASN A 58 -4.230 -4.725 10.019 1.00 71.11 C ATOM 911 O ASN A 58 -3.229 -5.106 9.415 1.00 32.34 O ATOM 912 CB ASN A 58 -4.490 -2.728 8.498 1.00 32.31 C ATOM 913 CG ASN A 58 -3.743 -1.687 9.317 1.00 23.02 C ATOM 914 OD1 ASN A 58 -2.584 -1.868 9.679 1.00 11.42 O ATOM 915 ND2 ASN A 58 -4.409 -0.576 9.600 1.00 43.45 N ATOM 0 H ASN A 58 -7.157 -3.200 9.934 1.00 43.21 H new ATOM 0 HA ASN A 58 -5.837 -4.402 8.680 1.00 54.31 H new ATOM 0 HB2 ASN A 58 -3.782 -3.235 7.843 1.00 32.31 H new ATOM 0 HB3 ASN A 58 -5.210 -2.221 7.857 1.00 32.31 H new ATOM 0 HD21 ASN A 58 -3.959 0.166 10.136 1.00 43.45 H new ATOM 0 HD22 ASN A 58 -5.371 -0.463 9.281 1.00 43.45 H new ATOM 922 N VAL A 59 -4.517 -5.135 11.245 1.00 10.25 N ATOM 923 CA VAL A 59 -3.648 -6.061 11.949 1.00 53.32 C ATOM 924 C VAL A 59 -4.163 -7.492 11.811 1.00 33.32 C ATOM 925 O VAL A 59 -3.385 -8.441 11.730 1.00 10.11 O ATOM 926 CB VAL A 59 -3.506 -5.705 13.447 1.00 31.35 C ATOM 927 CG1 VAL A 59 -2.802 -4.371 13.616 1.00 71.34 C ATOM 928 CG2 VAL A 59 -4.860 -5.679 14.143 1.00 12.03 C ATOM 0 H VAL A 59 -5.341 -4.842 11.770 1.00 10.25 H new ATOM 0 HA VAL A 59 -2.663 -5.980 11.490 1.00 53.32 H new ATOM 0 HB VAL A 59 -2.902 -6.483 13.915 1.00 31.35 H new ATOM 0 HG11 VAL A 59 -2.712 -4.139 14.677 1.00 71.34 H new ATOM 0 HG12 VAL A 59 -1.808 -4.425 13.171 1.00 71.34 H new ATOM 0 HG13 VAL A 59 -3.379 -3.590 13.121 1.00 71.34 H new ATOM 0 HG21 VAL A 59 -4.724 -5.426 15.194 1.00 12.03 H new ATOM 0 HG22 VAL A 59 -5.498 -4.933 13.670 1.00 12.03 H new ATOM 0 HG23 VAL A 59 -5.329 -6.660 14.064 1.00 12.03 H new ATOM 938 N GLU A 60 -5.485 -7.635 11.746 1.00 52.31 N ATOM 939 CA GLU A 60 -6.112 -8.948 11.691 1.00 55.31 C ATOM 940 C GLU A 60 -6.364 -9.333 10.248 1.00 25.41 C ATOM 941 O GLU A 60 -6.706 -10.470 9.936 1.00 53.43 O ATOM 942 CB GLU A 60 -7.453 -8.924 12.426 1.00 30.53 C ATOM 943 CG GLU A 60 -7.368 -8.472 13.871 1.00 51.05 C ATOM 944 CD GLU A 60 -8.733 -8.222 14.477 1.00 45.23 C ATOM 945 OE1 GLU A 60 -9.401 -9.201 14.882 1.00 5.14 O ATOM 946 OE2 GLU A 60 -9.151 -7.049 14.537 1.00 20.03 O ATOM 0 H GLU A 60 -6.141 -6.854 11.730 1.00 52.31 H new ATOM 0 HA GLU A 60 -5.446 -9.670 12.164 1.00 55.31 H new ATOM 0 HB2 GLU A 60 -8.135 -8.263 11.891 1.00 30.53 H new ATOM 0 HB3 GLU A 60 -7.888 -9.923 12.396 1.00 30.53 H new ATOM 0 HG2 GLU A 60 -6.847 -9.230 14.456 1.00 51.05 H new ATOM 0 HG3 GLU A 60 -6.774 -7.560 13.930 1.00 51.05 H new ATOM 953 N VAL A 61 -6.180 -8.358 9.378 1.00 15.32 N ATOM 954 CA VAL A 61 -6.631 -8.453 8.005 1.00 23.00 C ATOM 955 C VAL A 61 -5.610 -9.164 7.126 1.00 65.45 C ATOM 956 O VAL A 61 -5.964 -9.870 6.173 1.00 5.11 O ATOM 957 CB VAL A 61 -6.927 -7.040 7.443 1.00 40.14 C ATOM 958 CG1 VAL A 61 -7.647 -6.205 8.493 1.00 62.20 C ATOM 959 CG2 VAL A 61 -5.661 -6.329 6.973 1.00 23.54 C ATOM 0 H VAL A 61 -5.714 -7.479 9.604 1.00 15.32 H new ATOM 0 HA VAL A 61 -7.546 -9.045 7.995 1.00 23.00 H new ATOM 0 HB VAL A 61 -7.569 -7.160 6.570 1.00 40.14 H new ATOM 0 HG11 VAL A 61 -7.852 -5.213 8.091 1.00 62.20 H new ATOM 0 HG12 VAL A 61 -8.586 -6.689 8.761 1.00 62.20 H new ATOM 0 HG13 VAL A 61 -7.019 -6.115 9.379 1.00 62.20 H new ATOM 0 HG21 VAL A 61 -5.919 -5.343 6.588 1.00 23.54 H new ATOM 0 HG22 VAL A 61 -4.972 -6.222 7.810 1.00 23.54 H new ATOM 0 HG23 VAL A 61 -5.187 -6.914 6.185 1.00 23.54 H new ATOM 969 N ASP A 62 -4.352 -9.014 7.487 1.00 14.33 N ATOM 970 CA ASP A 62 -3.263 -9.407 6.624 1.00 3.01 C ATOM 971 C ASP A 62 -2.393 -10.463 7.292 1.00 61.03 C ATOM 972 O ASP A 62 -2.017 -10.326 8.457 1.00 11.30 O ATOM 973 CB ASP A 62 -2.455 -8.157 6.266 1.00 2.01 C ATOM 974 CG ASP A 62 -1.190 -8.449 5.469 1.00 4.24 C ATOM 975 OD1 ASP A 62 -0.984 -9.602 5.059 1.00 71.33 O ATOM 976 OD2 ASP A 62 -0.407 -7.511 5.231 1.00 1.35 O ATOM 0 H ASP A 62 -4.060 -8.619 8.381 1.00 14.33 H new ATOM 0 HA ASP A 62 -3.655 -9.856 5.712 1.00 3.01 H new ATOM 0 HB2 ASP A 62 -3.087 -7.480 5.691 1.00 2.01 H new ATOM 0 HB3 ASP A 62 -2.183 -7.637 7.184 1.00 2.01 H new ATOM 981 N LEU A 63 -2.102 -11.523 6.548 1.00 74.42 N ATOM 982 CA LEU A 63 -1.246 -12.592 7.037 1.00 10.13 C ATOM 983 C LEU A 63 0.011 -12.716 6.176 1.00 0.21 C ATOM 984 O LEU A 63 1.097 -12.979 6.687 1.00 60.14 O ATOM 985 CB LEU A 63 -2.000 -13.926 7.071 1.00 60.23 C ATOM 986 CG LEU A 63 -2.935 -14.129 8.271 1.00 13.33 C ATOM 987 CD1 LEU A 63 -4.120 -13.177 8.232 1.00 22.10 C ATOM 988 CD2 LEU A 63 -3.411 -15.569 8.323 1.00 31.22 C ATOM 0 H LEU A 63 -2.449 -11.664 5.599 1.00 74.42 H new ATOM 0 HA LEU A 63 -0.946 -12.341 8.055 1.00 10.13 H new ATOM 0 HB2 LEU A 63 -2.587 -14.014 6.157 1.00 60.23 H new ATOM 0 HB3 LEU A 63 -1.270 -14.736 7.061 1.00 60.23 H new ATOM 0 HG LEU A 63 -2.369 -13.906 9.176 1.00 13.33 H new ATOM 0 HD11 LEU A 63 -4.757 -13.353 9.099 1.00 22.10 H new ATOM 0 HD12 LEU A 63 -3.761 -12.148 8.249 1.00 22.10 H new ATOM 0 HD13 LEU A 63 -4.693 -13.346 7.320 1.00 22.10 H new ATOM 0 HD21 LEU A 63 -4.074 -15.702 9.178 1.00 31.22 H new ATOM 0 HD22 LEU A 63 -3.949 -15.808 7.406 1.00 31.22 H new ATOM 0 HD23 LEU A 63 -2.552 -16.233 8.423 1.00 31.22 H new ATOM 1000 N THR A 64 -0.140 -12.547 4.866 1.00 12.33 N ATOM 1001 CA THR A 64 0.994 -12.615 3.944 1.00 54.24 C ATOM 1002 C THR A 64 0.748 -11.682 2.749 1.00 64.01 C ATOM 1003 O THR A 64 1.425 -11.737 1.703 1.00 12.24 O ATOM 1004 CB THR A 64 1.227 -14.070 3.464 1.00 73.31 C ATOM 1005 OG1 THR A 64 1.155 -14.961 4.586 1.00 55.45 O ATOM 1006 CG2 THR A 64 2.585 -14.237 2.793 1.00 21.12 C ATOM 0 H THR A 64 -1.037 -12.362 4.416 1.00 12.33 H new ATOM 0 HA THR A 64 1.893 -12.289 4.468 1.00 54.24 H new ATOM 0 HB THR A 64 0.453 -14.303 2.733 1.00 73.31 H new ATOM 0 HG1 THR A 64 1.301 -15.881 4.283 1.00 55.45 H new ATOM 0 HG21 THR A 64 2.707 -15.271 2.472 1.00 21.12 H new ATOM 0 HG22 THR A 64 2.646 -13.578 1.927 1.00 21.12 H new ATOM 0 HG23 THR A 64 3.374 -13.981 3.500 1.00 21.12 H new ATOM 1014 N ALA A 65 -0.209 -10.785 2.929 1.00 24.32 N ATOM 1015 CA ALA A 65 -0.568 -9.847 1.894 1.00 53.40 C ATOM 1016 C ALA A 65 0.539 -8.833 1.717 1.00 12.20 C ATOM 1017 O ALA A 65 0.754 -8.361 0.619 1.00 3.35 O ATOM 1018 CB ALA A 65 -1.887 -9.157 2.204 1.00 52.11 C ATOM 0 H ALA A 65 -0.749 -10.692 3.789 1.00 24.32 H new ATOM 0 HA ALA A 65 -0.700 -10.396 0.962 1.00 53.40 H new ATOM 0 HB1 ALA A 65 -2.128 -8.457 1.404 1.00 52.11 H new ATOM 0 HB2 ALA A 65 -2.678 -9.903 2.284 1.00 52.11 H new ATOM 0 HB3 ALA A 65 -1.802 -8.616 3.146 1.00 52.11 H new ATOM 1024 N LEU A 66 1.254 -8.505 2.797 1.00 5.53 N ATOM 1025 CA LEU A 66 2.415 -7.628 2.666 1.00 11.41 C ATOM 1026 C LEU A 66 3.455 -8.237 1.743 1.00 53.31 C ATOM 1027 O LEU A 66 4.179 -7.518 1.076 1.00 24.35 O ATOM 1028 CB LEU A 66 3.071 -7.213 4.010 1.00 55.15 C ATOM 1029 CG LEU A 66 3.550 -8.295 5.019 1.00 40.34 C ATOM 1030 CD1 LEU A 66 2.388 -9.097 5.585 1.00 64.43 C ATOM 1031 CD2 LEU A 66 4.587 -9.232 4.419 1.00 64.43 C ATOM 0 H LEU A 66 1.056 -8.824 3.745 1.00 5.53 H new ATOM 0 HA LEU A 66 2.023 -6.709 2.231 1.00 11.41 H new ATOM 0 HB2 LEU A 66 3.934 -6.592 3.769 1.00 55.15 H new ATOM 0 HB3 LEU A 66 2.357 -6.577 4.534 1.00 55.15 H new ATOM 0 HG LEU A 66 4.025 -7.751 5.835 1.00 40.34 H new ATOM 0 HD11 LEU A 66 2.767 -9.842 6.285 1.00 64.43 H new ATOM 0 HD12 LEU A 66 1.702 -8.427 6.103 1.00 64.43 H new ATOM 0 HD13 LEU A 66 1.862 -9.598 4.772 1.00 64.43 H new ATOM 0 HD21 LEU A 66 4.887 -9.968 5.165 1.00 64.43 H new ATOM 0 HD22 LEU A 66 4.160 -9.743 3.557 1.00 64.43 H new ATOM 0 HD23 LEU A 66 5.458 -8.657 4.105 1.00 64.43 H new ATOM 1043 N ASP A 67 3.521 -9.560 1.697 1.00 0.23 N ATOM 1044 CA ASP A 67 4.476 -10.227 0.830 1.00 75.04 C ATOM 1045 C ASP A 67 4.110 -9.953 -0.609 1.00 61.41 C ATOM 1046 O ASP A 67 4.876 -9.323 -1.349 1.00 35.11 O ATOM 1047 CB ASP A 67 4.501 -11.734 1.094 1.00 10.00 C ATOM 1048 CG ASP A 67 5.396 -12.481 0.122 1.00 30.32 C ATOM 1049 OD1 ASP A 67 6.621 -12.535 0.354 1.00 10.43 O ATOM 1050 OD2 ASP A 67 4.878 -13.026 -0.872 1.00 43.44 O ATOM 0 H ASP A 67 2.930 -10.186 2.245 1.00 0.23 H new ATOM 0 HA ASP A 67 5.473 -9.839 1.037 1.00 75.04 H new ATOM 0 HB2 ASP A 67 4.845 -11.915 2.112 1.00 10.00 H new ATOM 0 HB3 ASP A 67 3.487 -12.128 1.025 1.00 10.00 H new ATOM 1055 N ALA A 68 2.906 -10.379 -0.981 1.00 64.44 N ATOM 1056 CA ALA A 68 2.426 -10.193 -2.347 1.00 53.14 C ATOM 1057 C ALA A 68 2.335 -8.709 -2.705 1.00 50.31 C ATOM 1058 O ALA A 68 2.816 -8.276 -3.753 1.00 73.25 O ATOM 1059 CB ALA A 68 1.074 -10.864 -2.522 1.00 44.21 C ATOM 0 H ALA A 68 2.249 -10.852 -0.361 1.00 64.44 H new ATOM 0 HA ALA A 68 3.143 -10.657 -3.025 1.00 53.14 H new ATOM 0 HB1 ALA A 68 0.725 -10.719 -3.545 1.00 44.21 H new ATOM 0 HB2 ALA A 68 1.168 -11.931 -2.319 1.00 44.21 H new ATOM 0 HB3 ALA A 68 0.357 -10.424 -1.829 1.00 44.21 H new ATOM 1065 N LEU A 69 1.743 -7.937 -1.809 1.00 62.25 N ATOM 1066 CA LEU A 69 1.494 -6.522 -2.042 1.00 15.42 C ATOM 1067 C LEU A 69 2.791 -5.727 -2.119 1.00 54.11 C ATOM 1068 O LEU A 69 2.901 -4.820 -2.943 1.00 72.20 O ATOM 1069 CB LEU A 69 0.566 -5.963 -0.949 1.00 24.35 C ATOM 1070 CG LEU A 69 0.255 -4.466 -1.017 1.00 73.41 C ATOM 1071 CD1 LEU A 69 -1.207 -4.217 -0.679 1.00 42.12 C ATOM 1072 CD2 LEU A 69 1.145 -3.695 -0.054 1.00 63.43 C ATOM 0 H LEU A 69 1.421 -8.272 -0.901 1.00 62.25 H new ATOM 0 HA LEU A 69 1.000 -6.419 -3.008 1.00 15.42 H new ATOM 0 HB2 LEU A 69 -0.376 -6.509 -0.989 1.00 24.35 H new ATOM 0 HB3 LEU A 69 1.016 -6.174 0.021 1.00 24.35 H new ATOM 0 HG LEU A 69 0.450 -4.119 -2.032 1.00 73.41 H new ATOM 0 HD11 LEU A 69 -1.416 -3.148 -0.731 1.00 42.12 H new ATOM 0 HD12 LEU A 69 -1.840 -4.745 -1.392 1.00 42.12 H new ATOM 0 HD13 LEU A 69 -1.414 -4.579 0.328 1.00 42.12 H new ATOM 0 HD21 LEU A 69 0.911 -2.632 -0.114 1.00 63.43 H new ATOM 0 HD22 LEU A 69 0.972 -4.047 0.963 1.00 63.43 H new ATOM 0 HD23 LEU A 69 2.190 -3.852 -0.319 1.00 63.43 H new ATOM 1084 N ASP A 70 3.776 -6.054 -1.281 1.00 23.43 N ATOM 1085 CA ASP A 70 5.033 -5.308 -1.292 1.00 65.33 C ATOM 1086 C ASP A 70 5.734 -5.496 -2.612 1.00 12.34 C ATOM 1087 O ASP A 70 6.022 -4.530 -3.289 1.00 55.42 O ATOM 1088 CB ASP A 70 5.998 -5.723 -0.188 1.00 1.12 C ATOM 1089 CG ASP A 70 6.973 -4.609 0.155 1.00 13.15 C ATOM 1090 OD1 ASP A 70 8.042 -4.520 -0.482 1.00 62.10 O ATOM 1091 OD2 ASP A 70 6.654 -3.788 1.044 1.00 13.41 O ATOM 0 H ASP A 70 3.730 -6.813 -0.601 1.00 23.43 H new ATOM 0 HA ASP A 70 4.759 -4.266 -1.126 1.00 65.33 H new ATOM 0 HB2 ASP A 70 5.434 -6.000 0.703 1.00 1.12 H new ATOM 0 HB3 ASP A 70 6.552 -6.607 -0.503 1.00 1.12 H new ATOM 1096 N GLN A 71 5.984 -6.749 -2.990 1.00 44.41 N ATOM 1097 CA GLN A 71 6.703 -7.026 -4.231 1.00 32.43 C ATOM 1098 C GLN A 71 6.027 -6.303 -5.390 1.00 2.30 C ATOM 1099 O GLN A 71 6.696 -5.778 -6.284 1.00 22.23 O ATOM 1100 CB GLN A 71 6.783 -8.533 -4.502 1.00 3.01 C ATOM 1101 CG GLN A 71 5.584 -9.110 -5.244 1.00 20.21 C ATOM 1102 CD GLN A 71 5.248 -10.516 -4.803 1.00 32.11 C ATOM 1103 OE1 GLN A 71 5.337 -10.757 -3.509 1.00 35.52 O flip ATOM 1104 NE2 GLN A 71 4.848 -11.358 -5.609 1.00 34.13 N flip ATOM 0 H GLN A 71 5.704 -7.576 -2.463 1.00 44.41 H new ATOM 0 HA GLN A 71 7.724 -6.658 -4.130 1.00 32.43 H new ATOM 0 HB2 GLN A 71 7.684 -8.737 -5.081 1.00 3.01 H new ATOM 0 HB3 GLN A 71 6.890 -9.054 -3.551 1.00 3.01 H new ATOM 0 HG2 GLN A 71 4.719 -8.467 -5.084 1.00 20.21 H new ATOM 0 HG3 GLN A 71 5.789 -9.108 -6.315 1.00 20.21 H new ATOM 0 HE21 GLN A 71 4.795 -11.129 -6.602 1.00 34.13 H new ATOM 0 HE22 GLN A 71 4.570 -12.284 -5.284 1.00 34.13 H new ATOM 1113 N LEU A 72 4.696 -6.243 -5.337 1.00 24.20 N ATOM 1114 CA LEU A 72 3.930 -5.525 -6.331 1.00 33.43 C ATOM 1115 C LEU A 72 4.173 -4.031 -6.213 1.00 70.23 C ATOM 1116 O LEU A 72 4.969 -3.477 -6.955 1.00 4.05 O ATOM 1117 CB LEU A 72 2.438 -5.831 -6.203 1.00 73.00 C ATOM 1118 CG LEU A 72 2.057 -7.283 -6.483 1.00 4.33 C ATOM 1119 CD1 LEU A 72 0.552 -7.462 -6.397 1.00 35.00 C ATOM 1120 CD2 LEU A 72 2.580 -7.713 -7.844 1.00 32.21 C ATOM 0 H LEU A 72 4.134 -6.687 -4.611 1.00 24.20 H new ATOM 0 HA LEU A 72 4.262 -5.858 -7.315 1.00 33.43 H new ATOM 0 HB2 LEU A 72 2.113 -5.573 -5.195 1.00 73.00 H new ATOM 0 HB3 LEU A 72 1.889 -5.187 -6.890 1.00 73.00 H new ATOM 0 HG LEU A 72 2.517 -7.918 -5.726 1.00 4.33 H new ATOM 0 HD11 LEU A 72 0.297 -8.502 -6.599 1.00 35.00 H new ATOM 0 HD12 LEU A 72 0.210 -7.192 -5.398 1.00 35.00 H new ATOM 0 HD13 LEU A 72 0.067 -6.820 -7.132 1.00 35.00 H new ATOM 0 HD21 LEU A 72 2.301 -8.750 -8.030 1.00 32.21 H new ATOM 0 HD22 LEU A 72 2.149 -7.077 -8.617 1.00 32.21 H new ATOM 0 HD23 LEU A 72 3.666 -7.621 -7.862 1.00 32.21 H new ATOM 1132 N ARG A 73 3.553 -3.382 -5.239 1.00 42.32 N ATOM 1133 CA ARG A 73 3.587 -1.926 -5.193 1.00 1.01 C ATOM 1134 C ARG A 73 4.943 -1.387 -4.741 1.00 14.24 C ATOM 1135 O ARG A 73 5.083 -0.204 -4.527 1.00 44.22 O ATOM 1136 CB ARG A 73 2.442 -1.344 -4.350 1.00 63.33 C ATOM 1137 CG ARG A 73 2.305 -1.902 -2.943 1.00 34.04 C ATOM 1138 CD ARG A 73 2.862 -0.957 -1.886 1.00 4.00 C ATOM 1139 NE ARG A 73 4.306 -1.076 -1.739 1.00 32.15 N ATOM 1140 CZ ARG A 73 4.895 -1.727 -0.737 1.00 35.24 C ATOM 1141 NH1 ARG A 73 4.174 -2.284 0.229 1.00 45.13 N ATOM 1142 NH2 ARG A 73 6.204 -1.827 -0.690 1.00 20.12 N ATOM 0 H ARG A 73 3.031 -3.827 -4.484 1.00 42.32 H new ATOM 0 HA ARG A 73 3.437 -1.589 -6.218 1.00 1.01 H new ATOM 0 HB2 ARG A 73 2.580 -0.265 -4.281 1.00 63.33 H new ATOM 0 HB3 ARG A 73 1.504 -1.512 -4.880 1.00 63.33 H new ATOM 0 HG2 ARG A 73 1.253 -2.097 -2.734 1.00 34.04 H new ATOM 0 HG3 ARG A 73 2.825 -2.858 -2.882 1.00 34.04 H new ATOM 0 HD2 ARG A 73 2.610 0.070 -2.152 1.00 4.00 H new ATOM 0 HD3 ARG A 73 2.384 -1.165 -0.929 1.00 4.00 H new ATOM 0 HE ARG A 73 4.900 -0.636 -2.442 1.00 32.15 H new ATOM 0 HH11 ARG A 73 3.156 -2.216 0.210 1.00 45.13 H new ATOM 0 HH12 ARG A 73 4.638 -2.780 0.990 1.00 45.13 H new ATOM 0 HH21 ARG A 73 6.774 -1.405 -1.423 1.00 20.12 H new ATOM 0 HH22 ARG A 73 6.650 -2.327 0.079 1.00 20.12 H new ATOM 1156 N THR A 74 5.925 -2.254 -4.579 1.00 0.32 N ATOM 1157 CA THR A 74 7.315 -1.828 -4.480 1.00 71.40 C ATOM 1158 C THR A 74 7.879 -1.684 -5.886 1.00 40.42 C ATOM 1159 O THR A 74 8.342 -0.614 -6.284 1.00 40.32 O ATOM 1160 CB THR A 74 8.173 -2.835 -3.669 1.00 5.22 C ATOM 1161 OG1 THR A 74 8.159 -2.500 -2.278 1.00 61.50 O ATOM 1162 CG2 THR A 74 9.608 -2.903 -4.166 1.00 71.22 C ATOM 0 H THR A 74 5.788 -3.263 -4.513 1.00 0.32 H new ATOM 0 HA THR A 74 7.349 -0.875 -3.952 1.00 71.40 H new ATOM 0 HB THR A 74 7.726 -3.819 -3.813 1.00 5.22 H new ATOM 0 HG1 THR A 74 8.258 -3.316 -1.744 1.00 61.50 H new ATOM 0 HG21 THR A 74 10.167 -3.621 -3.566 1.00 71.22 H new ATOM 0 HG22 THR A 74 9.617 -3.217 -5.210 1.00 71.22 H new ATOM 0 HG23 THR A 74 10.070 -1.920 -4.079 1.00 71.22 H new ATOM 1170 N GLU A 75 7.770 -2.763 -6.653 1.00 71.32 N ATOM 1171 CA GLU A 75 8.272 -2.795 -8.010 1.00 64.53 C ATOM 1172 C GLU A 75 7.434 -1.875 -8.895 1.00 73.34 C ATOM 1173 O GLU A 75 7.896 -1.384 -9.924 1.00 50.13 O ATOM 1174 CB GLU A 75 8.243 -4.239 -8.514 1.00 44.42 C ATOM 1175 CG GLU A 75 8.965 -4.453 -9.836 1.00 62.31 C ATOM 1176 CD GLU A 75 8.980 -5.907 -10.263 1.00 71.42 C ATOM 1177 OE1 GLU A 75 9.797 -6.683 -9.719 1.00 74.50 O ATOM 1178 OE2 GLU A 75 8.172 -6.284 -11.132 1.00 44.42 O ATOM 0 H GLU A 75 7.333 -3.633 -6.348 1.00 71.32 H new ATOM 0 HA GLU A 75 9.301 -2.436 -8.042 1.00 64.53 H new ATOM 0 HB2 GLU A 75 8.692 -4.884 -7.759 1.00 44.42 H new ATOM 0 HB3 GLU A 75 7.205 -4.552 -8.625 1.00 44.42 H new ATOM 0 HG2 GLU A 75 8.483 -3.856 -10.610 1.00 62.31 H new ATOM 0 HG3 GLU A 75 9.990 -4.093 -9.748 1.00 62.31 H new ATOM 1185 N LEU A 76 6.202 -1.632 -8.465 1.00 24.24 N ATOM 1186 CA LEU A 76 5.287 -0.767 -9.189 1.00 51.15 C ATOM 1187 C LEU A 76 5.289 0.669 -8.641 1.00 15.42 C ATOM 1188 O LEU A 76 4.949 1.603 -9.363 1.00 30.05 O ATOM 1189 CB LEU A 76 3.864 -1.344 -9.168 1.00 22.13 C ATOM 1190 CG LEU A 76 3.581 -2.493 -10.158 1.00 60.42 C ATOM 1191 CD1 LEU A 76 4.070 -2.134 -11.549 1.00 30.21 C ATOM 1192 CD2 LEU A 76 4.205 -3.808 -9.703 1.00 41.35 C ATOM 0 H LEU A 76 5.813 -2.028 -7.609 1.00 24.24 H new ATOM 0 HA LEU A 76 5.638 -0.723 -10.220 1.00 51.15 H new ATOM 0 HB2 LEU A 76 3.654 -1.701 -8.160 1.00 22.13 H new ATOM 0 HB3 LEU A 76 3.163 -0.535 -9.373 1.00 22.13 H new ATOM 0 HG LEU A 76 2.500 -2.634 -10.186 1.00 60.42 H new ATOM 0 HD11 LEU A 76 3.861 -2.957 -12.232 1.00 30.21 H new ATOM 0 HD12 LEU A 76 3.557 -1.237 -11.895 1.00 30.21 H new ATOM 0 HD13 LEU A 76 5.144 -1.950 -11.521 1.00 30.21 H new ATOM 0 HD21 LEU A 76 3.980 -4.588 -10.430 1.00 41.35 H new ATOM 0 HD22 LEU A 76 5.285 -3.689 -9.621 1.00 41.35 H new ATOM 0 HD23 LEU A 76 3.796 -4.088 -8.732 1.00 41.35 H new ATOM 1204 N LEU A 77 5.660 0.864 -7.375 1.00 43.01 N ATOM 1205 CA LEU A 77 5.784 2.223 -6.841 1.00 34.22 C ATOM 1206 C LEU A 77 6.933 2.947 -7.513 1.00 2.14 C ATOM 1207 O LEU A 77 6.809 4.098 -7.926 1.00 41.25 O ATOM 1208 CB LEU A 77 6.014 2.205 -5.332 1.00 51.40 C ATOM 1209 CG LEU A 77 6.013 3.561 -4.635 1.00 12.35 C ATOM 1210 CD1 LEU A 77 5.532 3.392 -3.209 1.00 5.43 C ATOM 1211 CD2 LEU A 77 7.408 4.174 -4.640 1.00 5.21 C ATOM 0 H LEU A 77 5.876 0.119 -6.713 1.00 43.01 H new ATOM 0 HA LEU A 77 4.850 2.746 -7.046 1.00 34.22 H new ATOM 0 HB2 LEU A 77 5.243 1.584 -4.875 1.00 51.40 H new ATOM 0 HB3 LEU A 77 6.971 1.720 -5.137 1.00 51.40 H new ATOM 0 HG LEU A 77 5.343 4.231 -5.174 1.00 12.35 H new ATOM 0 HD11 LEU A 77 5.530 4.360 -2.708 1.00 5.43 H new ATOM 0 HD12 LEU A 77 4.522 2.983 -3.212 1.00 5.43 H new ATOM 0 HD13 LEU A 77 6.197 2.711 -2.679 1.00 5.43 H new ATOM 0 HD21 LEU A 77 7.382 5.141 -4.137 1.00 5.21 H new ATOM 0 HD22 LEU A 77 8.098 3.512 -4.118 1.00 5.21 H new ATOM 0 HD23 LEU A 77 7.743 4.309 -5.669 1.00 5.21 H new ATOM 1223 N ARG A 78 8.046 2.255 -7.641 1.00 34.11 N ATOM 1224 CA ARG A 78 9.251 2.848 -8.194 1.00 32.44 C ATOM 1225 C ARG A 78 9.137 3.049 -9.710 1.00 52.05 C ATOM 1226 O ARG A 78 10.138 3.079 -10.426 1.00 22.54 O ATOM 1227 CB ARG A 78 10.449 1.975 -7.830 1.00 70.31 C ATOM 1228 CG ARG A 78 10.416 0.575 -8.415 1.00 23.53 C ATOM 1229 CD ARG A 78 11.526 -0.279 -7.827 1.00 43.30 C ATOM 1230 NE ARG A 78 12.857 0.234 -8.161 1.00 11.10 N ATOM 1231 CZ ARG A 78 13.552 1.090 -7.403 1.00 23.11 C ATOM 1232 NH1 ARG A 78 13.046 1.554 -6.259 1.00 44.11 N ATOM 1233 NH2 ARG A 78 14.755 1.486 -7.794 1.00 20.25 N ATOM 0 H ARG A 78 8.144 1.277 -7.369 1.00 34.11 H new ATOM 0 HA ARG A 78 9.390 3.839 -7.763 1.00 32.44 H new ATOM 0 HB2 ARG A 78 11.359 2.473 -8.165 1.00 70.31 H new ATOM 0 HB3 ARG A 78 10.509 1.899 -6.744 1.00 70.31 H new ATOM 0 HG2 ARG A 78 9.449 0.114 -8.213 1.00 23.53 H new ATOM 0 HG3 ARG A 78 10.524 0.626 -9.498 1.00 23.53 H new ATOM 0 HD2 ARG A 78 11.416 -0.319 -6.743 1.00 43.30 H new ATOM 0 HD3 ARG A 78 11.430 -1.300 -8.195 1.00 43.30 H new ATOM 0 HE ARG A 78 13.283 -0.083 -9.032 1.00 11.10 H new ATOM 0 HH11 ARG A 78 12.119 1.257 -5.953 1.00 44.11 H new ATOM 0 HH12 ARG A 78 13.586 2.206 -5.690 1.00 44.11 H new ATOM 0 HH21 ARG A 78 15.147 1.138 -8.669 1.00 20.25 H new ATOM 0 HH22 ARG A 78 15.289 2.138 -7.220 1.00 20.25 H new ATOM 1247 N ARG A 79 7.907 3.207 -10.184 1.00 21.03 N ATOM 1248 CA ARG A 79 7.641 3.506 -11.580 1.00 44.35 C ATOM 1249 C ARG A 79 7.373 5.001 -11.752 1.00 51.32 C ATOM 1250 O ARG A 79 7.586 5.560 -12.829 1.00 71.53 O ATOM 1251 CB ARG A 79 6.430 2.706 -12.073 1.00 20.21 C ATOM 1252 CG ARG A 79 6.540 1.204 -11.845 1.00 24.21 C ATOM 1253 CD ARG A 79 7.637 0.576 -12.681 1.00 35.44 C ATOM 1254 NE ARG A 79 7.379 0.741 -14.107 1.00 31.13 N ATOM 1255 CZ ARG A 79 7.758 -0.125 -15.038 1.00 64.22 C ATOM 1256 NH1 ARG A 79 8.396 -1.239 -14.699 1.00 0.14 N ATOM 1257 NH2 ARG A 79 7.485 0.123 -16.308 1.00 43.42 N ATOM 0 H ARG A 79 7.068 3.131 -9.609 1.00 21.03 H new ATOM 0 HA ARG A 79 8.515 3.226 -12.169 1.00 44.35 H new ATOM 0 HB2 ARG A 79 5.536 3.074 -11.570 1.00 20.21 H new ATOM 0 HB3 ARG A 79 6.295 2.892 -13.139 1.00 20.21 H new ATOM 0 HG2 ARG A 79 6.735 1.012 -10.790 1.00 24.21 H new ATOM 0 HG3 ARG A 79 5.587 0.731 -12.085 1.00 24.21 H new ATOM 0 HD2 ARG A 79 8.595 1.030 -12.428 1.00 35.44 H new ATOM 0 HD3 ARG A 79 7.715 -0.485 -12.444 1.00 35.44 H new ATOM 0 HE ARG A 79 6.875 1.575 -14.408 1.00 31.13 H new ATOM 0 HH11 ARG A 79 8.597 -1.433 -13.718 1.00 0.14 H new ATOM 0 HH12 ARG A 79 8.685 -1.901 -15.419 1.00 0.14 H new ATOM 0 HH21 ARG A 79 6.987 0.975 -16.566 1.00 43.42 H new ATOM 0 HH22 ARG A 79 7.773 -0.538 -17.030 1.00 43.42 H new ATOM 1271 N GLY A 80 6.915 5.653 -10.680 1.00 72.42 N ATOM 1272 CA GLY A 80 6.580 7.066 -10.759 1.00 23.22 C ATOM 1273 C GLY A 80 6.446 7.729 -9.397 1.00 0.00 C ATOM 1274 O GLY A 80 7.059 7.294 -8.421 1.00 54.53 O ATOM 0 H GLY A 80 6.771 5.228 -9.764 1.00 72.42 H new ATOM 0 HA2 GLY A 80 7.349 7.583 -11.333 1.00 23.22 H new ATOM 0 HA3 GLY A 80 5.644 7.180 -11.305 1.00 23.22 H new ATOM 1278 N ILE A 81 5.633 8.783 -9.337 1.00 51.51 N ATOM 1279 CA ILE A 81 5.452 9.547 -8.109 1.00 34.14 C ATOM 1280 C ILE A 81 4.381 8.909 -7.216 1.00 41.11 C ATOM 1281 O ILE A 81 3.177 9.144 -7.353 1.00 52.01 O ATOM 1282 CB ILE A 81 5.122 11.035 -8.409 1.00 64.50 C ATOM 1283 CG1 ILE A 81 4.789 11.803 -7.121 1.00 21.22 C ATOM 1284 CG2 ILE A 81 3.994 11.158 -9.423 1.00 62.43 C ATOM 1285 CD1 ILE A 81 5.962 11.936 -6.171 1.00 33.14 C ATOM 0 H ILE A 81 5.089 9.126 -10.129 1.00 51.51 H new ATOM 0 HA ILE A 81 6.396 9.526 -7.565 1.00 34.14 H new ATOM 0 HB ILE A 81 6.013 11.486 -8.846 1.00 64.50 H new ATOM 0 HG12 ILE A 81 4.431 12.798 -7.384 1.00 21.22 H new ATOM 0 HG13 ILE A 81 3.972 11.296 -6.607 1.00 21.22 H new ATOM 0 HG21 ILE A 81 3.787 12.212 -9.611 1.00 62.43 H new ATOM 0 HG22 ILE A 81 4.288 10.674 -10.354 1.00 62.43 H new ATOM 0 HG23 ILE A 81 3.098 10.677 -9.031 1.00 62.43 H new ATOM 0 HD11 ILE A 81 5.651 12.489 -5.285 1.00 33.14 H new ATOM 0 HD12 ILE A 81 6.307 10.944 -5.877 1.00 33.14 H new ATOM 0 HD13 ILE A 81 6.773 12.470 -6.667 1.00 33.14 H new ATOM 1297 N VAL A 82 4.846 8.067 -6.317 1.00 34.32 N ATOM 1298 CA VAL A 82 3.978 7.342 -5.412 1.00 43.53 C ATOM 1299 C VAL A 82 4.748 6.962 -4.158 1.00 74.13 C ATOM 1300 O VAL A 82 5.975 6.841 -4.192 1.00 14.13 O ATOM 1301 CB VAL A 82 3.374 6.087 -6.103 1.00 4.32 C ATOM 1302 CG1 VAL A 82 4.376 5.455 -7.044 1.00 20.21 C ATOM 1303 CG2 VAL A 82 2.885 5.055 -5.091 1.00 31.53 C ATOM 0 H VAL A 82 5.838 7.865 -6.193 1.00 34.32 H new ATOM 0 HA VAL A 82 3.146 7.987 -5.129 1.00 43.53 H new ATOM 0 HB VAL A 82 2.511 6.426 -6.677 1.00 4.32 H new ATOM 0 HG11 VAL A 82 3.930 4.579 -7.515 1.00 20.21 H new ATOM 0 HG12 VAL A 82 4.659 6.175 -7.811 1.00 20.21 H new ATOM 0 HG13 VAL A 82 5.262 5.155 -6.484 1.00 20.21 H new ATOM 0 HG21 VAL A 82 2.471 4.196 -5.619 1.00 31.53 H new ATOM 0 HG22 VAL A 82 3.720 4.731 -4.469 1.00 31.53 H new ATOM 0 HG23 VAL A 82 2.114 5.500 -4.461 1.00 31.53 H new ATOM 1313 N PHE A 83 4.040 6.831 -3.049 1.00 13.20 N ATOM 1314 CA PHE A 83 4.660 6.418 -1.798 1.00 14.40 C ATOM 1315 C PHE A 83 3.810 5.354 -1.105 1.00 45.34 C ATOM 1316 O PHE A 83 2.779 4.924 -1.626 1.00 33.14 O ATOM 1317 CB PHE A 83 4.870 7.621 -0.873 1.00 53.24 C ATOM 1318 CG PHE A 83 5.831 8.646 -1.407 1.00 61.40 C ATOM 1319 CD1 PHE A 83 7.200 8.474 -1.264 1.00 52.51 C ATOM 1320 CD2 PHE A 83 5.366 9.780 -2.055 1.00 55.31 C ATOM 1321 CE1 PHE A 83 8.084 9.417 -1.756 1.00 14.04 C ATOM 1322 CE2 PHE A 83 6.246 10.723 -2.548 1.00 22.32 C ATOM 1323 CZ PHE A 83 7.607 10.541 -2.399 1.00 70.14 C ATOM 0 H PHE A 83 3.037 7.004 -2.988 1.00 13.20 H new ATOM 0 HA PHE A 83 5.635 5.988 -2.027 1.00 14.40 H new ATOM 0 HB2 PHE A 83 3.907 8.100 -0.694 1.00 53.24 H new ATOM 0 HB3 PHE A 83 5.234 7.265 0.091 1.00 53.24 H new ATOM 0 HD1 PHE A 83 7.579 7.595 -0.764 1.00 52.51 H new ATOM 0 HD2 PHE A 83 4.303 9.928 -2.176 1.00 55.31 H new ATOM 0 HE1 PHE A 83 9.148 9.274 -1.637 1.00 14.04 H new ATOM 0 HE2 PHE A 83 5.870 11.602 -3.050 1.00 22.32 H new ATOM 0 HZ PHE A 83 8.297 11.277 -2.785 1.00 70.14 H new ATOM 1333 N ALA A 84 4.250 4.919 0.064 1.00 23.44 N ATOM 1334 CA ALA A 84 3.517 3.929 0.834 1.00 11.42 C ATOM 1335 C ALA A 84 3.874 4.030 2.304 1.00 62.30 C ATOM 1336 O ALA A 84 5.042 4.205 2.650 1.00 25.33 O ATOM 1337 CB ALA A 84 3.801 2.532 0.316 1.00 54.25 C ATOM 0 H ALA A 84 5.115 5.238 0.502 1.00 23.44 H new ATOM 0 HA ALA A 84 2.451 4.128 0.721 1.00 11.42 H new ATOM 0 HB1 ALA A 84 3.243 1.805 0.906 1.00 54.25 H new ATOM 0 HB2 ALA A 84 3.497 2.462 -0.728 1.00 54.25 H new ATOM 0 HB3 ALA A 84 4.868 2.323 0.398 1.00 54.25 H new ATOM 1343 N MET A 85 2.875 3.920 3.164 1.00 23.34 N ATOM 1344 CA MET A 85 3.094 4.073 4.595 1.00 51.00 C ATOM 1345 C MET A 85 2.276 3.084 5.418 1.00 5.11 C ATOM 1346 O MET A 85 1.138 2.742 5.080 1.00 15.11 O ATOM 1347 CB MET A 85 2.765 5.497 5.035 1.00 3.44 C ATOM 1348 CG MET A 85 1.432 6.001 4.523 1.00 11.24 C ATOM 1349 SD MET A 85 0.618 7.099 5.690 1.00 44.30 S ATOM 1350 CE MET A 85 0.146 5.913 6.947 1.00 11.34 C ATOM 0 H MET A 85 1.909 3.726 2.900 1.00 23.34 H new ATOM 0 HA MET A 85 4.148 3.864 4.776 1.00 51.00 H new ATOM 0 HB2 MET A 85 2.765 5.540 6.124 1.00 3.44 H new ATOM 0 HB3 MET A 85 3.553 6.166 4.689 1.00 3.44 H new ATOM 0 HG2 MET A 85 1.584 6.526 3.580 1.00 11.24 H new ATOM 0 HG3 MET A 85 0.782 5.151 4.314 1.00 11.24 H new ATOM 0 HE1 MET A 85 -0.939 5.813 6.964 1.00 11.34 H new ATOM 0 HE2 MET A 85 0.596 4.946 6.722 1.00 11.34 H new ATOM 0 HE3 MET A 85 0.494 6.257 7.921 1.00 11.34 H new ATOM 1360 N ALA A 86 2.870 2.636 6.508 1.00 52.04 N ATOM 1361 CA ALA A 86 2.214 1.721 7.420 1.00 54.12 C ATOM 1362 C ALA A 86 1.954 2.384 8.767 1.00 44.24 C ATOM 1363 O ALA A 86 2.501 3.449 9.071 1.00 43.14 O ATOM 1364 CB ALA A 86 3.061 0.472 7.604 1.00 42.21 C ATOM 0 H ALA A 86 3.817 2.895 6.785 1.00 52.04 H new ATOM 0 HA ALA A 86 1.253 1.440 6.990 1.00 54.12 H new ATOM 0 HB1 ALA A 86 2.560 -0.210 8.291 1.00 42.21 H new ATOM 0 HB2 ALA A 86 3.198 -0.020 6.641 1.00 42.21 H new ATOM 0 HB3 ALA A 86 4.033 0.749 8.012 1.00 42.21 H new ATOM 1370 N ARG A 87 1.100 1.753 9.561 1.00 32.12 N ATOM 1371 CA ARG A 87 0.829 2.208 10.919 1.00 24.13 C ATOM 1372 C ARG A 87 0.838 1.018 11.868 1.00 4.32 C ATOM 1373 O ARG A 87 0.629 1.156 13.074 1.00 42.55 O ATOM 1374 CB ARG A 87 -0.527 2.908 10.991 1.00 22.12 C ATOM 1375 CG ARG A 87 -1.717 1.971 10.834 1.00 2.41 C ATOM 1376 CD ARG A 87 -3.025 2.715 11.038 1.00 33.04 C ATOM 1377 NE ARG A 87 -3.099 3.340 12.358 1.00 61.14 N ATOM 1378 CZ ARG A 87 -4.239 3.691 12.953 1.00 4.13 C ATOM 1379 NH1 ARG A 87 -5.399 3.514 12.331 1.00 24.00 N ATOM 1380 NH2 ARG A 87 -4.215 4.240 14.160 1.00 72.43 N ATOM 0 H ARG A 87 0.580 0.920 9.287 1.00 32.12 H new ATOM 0 HA ARG A 87 1.604 2.917 11.210 1.00 24.13 H new ATOM 0 HB2 ARG A 87 -0.608 3.424 11.948 1.00 22.12 H new ATOM 0 HB3 ARG A 87 -0.573 3.670 10.213 1.00 22.12 H new ATOM 0 HG2 ARG A 87 -1.701 1.521 9.842 1.00 2.41 H new ATOM 0 HG3 ARG A 87 -1.641 1.157 11.555 1.00 2.41 H new ATOM 0 HD2 ARG A 87 -3.131 3.479 10.268 1.00 33.04 H new ATOM 0 HD3 ARG A 87 -3.858 2.023 10.917 1.00 33.04 H new ATOM 0 HE ARG A 87 -2.225 3.518 12.853 1.00 61.14 H new ATOM 0 HH11 ARG A 87 -5.419 3.108 11.395 1.00 24.00 H new ATOM 0 HH12 ARG A 87 -6.270 3.784 12.789 1.00 24.00 H new ATOM 0 HH21 ARG A 87 -3.324 4.394 14.633 1.00 72.43 H new ATOM 0 HH22 ARG A 87 -5.087 4.509 14.615 1.00 72.43 H new ATOM 1394 N VAL A 88 1.091 -0.150 11.304 1.00 71.42 N ATOM 1395 CA VAL A 88 1.006 -1.396 12.038 1.00 65.51 C ATOM 1396 C VAL A 88 2.394 -1.976 12.280 1.00 13.43 C ATOM 1397 O VAL A 88 3.257 -1.933 11.404 1.00 13.11 O ATOM 1398 CB VAL A 88 0.129 -2.412 11.274 1.00 34.51 C ATOM 1399 CG1 VAL A 88 0.614 -2.589 9.844 1.00 53.34 C ATOM 1400 CG2 VAL A 88 0.088 -3.751 11.990 1.00 55.01 C ATOM 0 H VAL A 88 1.360 -0.259 10.326 1.00 71.42 H new ATOM 0 HA VAL A 88 0.545 -1.191 13.004 1.00 65.51 H new ATOM 0 HB VAL A 88 -0.884 -2.011 11.244 1.00 34.51 H new ATOM 0 HG11 VAL A 88 -0.022 -3.310 9.331 1.00 53.34 H new ATOM 0 HG12 VAL A 88 0.571 -1.632 9.324 1.00 53.34 H new ATOM 0 HG13 VAL A 88 1.642 -2.952 9.851 1.00 53.34 H new ATOM 0 HG21 VAL A 88 -0.537 -4.445 11.428 1.00 55.01 H new ATOM 0 HG22 VAL A 88 1.098 -4.153 12.067 1.00 55.01 H new ATOM 0 HG23 VAL A 88 -0.327 -3.617 12.989 1.00 55.01 H new ATOM 1410 N LYS A 89 2.597 -2.519 13.474 1.00 41.22 N ATOM 1411 CA LYS A 89 3.875 -3.121 13.849 1.00 72.32 C ATOM 1412 C LYS A 89 4.095 -4.482 13.179 1.00 10.30 C ATOM 1413 O LYS A 89 5.030 -5.200 13.517 1.00 35.03 O ATOM 1414 CB LYS A 89 3.978 -3.246 15.376 1.00 63.13 C ATOM 1415 CG LYS A 89 2.667 -3.608 16.073 1.00 41.44 C ATOM 1416 CD LYS A 89 2.201 -5.020 15.752 1.00 14.45 C ATOM 1417 CE LYS A 89 0.844 -5.309 16.378 1.00 64.10 C ATOM 1418 NZ LYS A 89 0.896 -5.282 17.865 1.00 14.24 N ATOM 0 H LYS A 89 1.888 -2.556 14.206 1.00 41.22 H new ATOM 0 HA LYS A 89 4.664 -2.459 13.492 1.00 72.32 H new ATOM 0 HB2 LYS A 89 4.724 -4.004 15.616 1.00 63.13 H new ATOM 0 HB3 LYS A 89 4.341 -2.302 15.781 1.00 63.13 H new ATOM 0 HG2 LYS A 89 2.794 -3.508 17.151 1.00 41.44 H new ATOM 0 HG3 LYS A 89 1.895 -2.899 15.776 1.00 41.44 H new ATOM 0 HD2 LYS A 89 2.140 -5.149 14.671 1.00 14.45 H new ATOM 0 HD3 LYS A 89 2.934 -5.739 16.118 1.00 14.45 H new ATOM 0 HE2 LYS A 89 0.120 -4.574 16.028 1.00 64.10 H new ATOM 0 HE3 LYS A 89 0.493 -6.286 16.046 1.00 64.10 H new ATOM 0 HZ1 LYS A 89 -0.011 -5.615 18.250 1.00 14.24 H new ATOM 0 HZ2 LYS A 89 1.662 -5.902 18.197 1.00 14.24 H new ATOM 0 HZ3 LYS A 89 1.073 -4.310 18.189 1.00 14.24 H new ATOM 1432 N GLN A 90 3.234 -4.827 12.232 1.00 42.40 N ATOM 1433 CA GLN A 90 3.378 -6.058 11.464 1.00 35.23 C ATOM 1434 C GLN A 90 3.994 -5.769 10.100 1.00 35.43 C ATOM 1435 O GLN A 90 5.069 -6.281 9.779 1.00 61.12 O ATOM 1436 CB GLN A 90 2.021 -6.730 11.267 1.00 42.52 C ATOM 1437 CG GLN A 90 1.425 -7.325 12.532 1.00 44.44 C ATOM 1438 CD GLN A 90 0.006 -7.812 12.317 1.00 64.30 C ATOM 1439 OE1 GLN A 90 -0.299 -8.218 11.095 1.00 73.32 O flip ATOM 1440 NE2 GLN A 90 -0.807 -7.818 13.240 1.00 74.25 N flip ATOM 0 H GLN A 90 2.421 -4.267 11.975 1.00 42.40 H new ATOM 0 HA GLN A 90 4.034 -6.726 12.023 1.00 35.23 H new ATOM 0 HB2 GLN A 90 1.323 -5.999 10.860 1.00 42.52 H new ATOM 0 HB3 GLN A 90 2.125 -7.520 10.523 1.00 42.52 H new ATOM 0 HG2 GLN A 90 2.046 -8.155 12.870 1.00 44.44 H new ATOM 0 HG3 GLN A 90 1.435 -6.577 13.324 1.00 44.44 H new ATOM 0 HE21 GLN A 90 -0.529 -7.496 14.167 1.00 74.25 H new ATOM 0 HE22 GLN A 90 -1.760 -8.145 13.078 1.00 74.25 H new ATOM 1449 N ASP A 91 3.301 -4.921 9.331 1.00 61.23 N ATOM 1450 CA ASP A 91 3.660 -4.617 7.939 1.00 10.14 C ATOM 1451 C ASP A 91 5.158 -4.416 7.775 1.00 74.20 C ATOM 1452 O ASP A 91 5.829 -5.258 7.195 1.00 45.42 O ATOM 1453 CB ASP A 91 2.925 -3.357 7.463 1.00 52.22 C ATOM 1454 CG ASP A 91 3.112 -3.058 5.977 1.00 74.51 C ATOM 1455 OD1 ASP A 91 4.269 -2.901 5.530 1.00 35.42 O ATOM 1456 OD2 ASP A 91 2.089 -2.946 5.261 1.00 0.31 O ATOM 0 H ASP A 91 2.472 -4.424 9.657 1.00 61.23 H new ATOM 0 HA ASP A 91 3.360 -5.472 7.333 1.00 10.14 H new ATOM 0 HB2 ASP A 91 1.861 -3.468 7.670 1.00 52.22 H new ATOM 0 HB3 ASP A 91 3.275 -2.503 8.043 1.00 52.22 H new ATOM 1461 N LEU A 92 5.669 -3.319 8.336 1.00 32.13 N ATOM 1462 CA LEU A 92 7.057 -2.901 8.123 1.00 32.02 C ATOM 1463 C LEU A 92 8.046 -4.050 8.312 1.00 43.24 C ATOM 1464 O LEU A 92 8.973 -4.204 7.531 1.00 62.20 O ATOM 1465 CB LEU A 92 7.434 -1.740 9.057 1.00 52.41 C ATOM 1466 CG LEU A 92 7.663 -2.102 10.532 1.00 32.20 C ATOM 1467 CD1 LEU A 92 8.295 -0.935 11.271 1.00 75.23 C ATOM 1468 CD2 LEU A 92 6.361 -2.508 11.209 1.00 75.52 C ATOM 0 H LEU A 92 5.137 -2.699 8.947 1.00 32.13 H new ATOM 0 HA LEU A 92 7.122 -2.568 7.087 1.00 32.02 H new ATOM 0 HB2 LEU A 92 8.342 -1.273 8.674 1.00 52.41 H new ATOM 0 HB3 LEU A 92 6.645 -0.990 9.007 1.00 52.41 H new ATOM 0 HG LEU A 92 8.342 -2.954 10.566 1.00 32.20 H new ATOM 0 HD11 LEU A 92 8.451 -1.207 12.315 1.00 75.23 H new ATOM 0 HD12 LEU A 92 9.253 -0.690 10.813 1.00 75.23 H new ATOM 0 HD13 LEU A 92 7.635 -0.069 11.216 1.00 75.23 H new ATOM 0 HD21 LEU A 92 6.556 -2.758 12.252 1.00 75.52 H new ATOM 0 HD22 LEU A 92 5.652 -1.681 11.161 1.00 75.52 H new ATOM 0 HD23 LEU A 92 5.941 -3.376 10.700 1.00 75.52 H new ATOM 1480 N ARG A 93 7.826 -4.873 9.328 1.00 23.54 N ATOM 1481 CA ARG A 93 8.776 -5.918 9.676 1.00 32.14 C ATOM 1482 C ARG A 93 8.791 -7.011 8.616 1.00 64.33 C ATOM 1483 O ARG A 93 9.842 -7.341 8.067 1.00 64.11 O ATOM 1484 CB ARG A 93 8.438 -6.511 11.046 1.00 24.44 C ATOM 1485 CG ARG A 93 8.384 -5.469 12.151 1.00 5.44 C ATOM 1486 CD ARG A 93 7.931 -6.065 13.476 1.00 44.13 C ATOM 1487 NE ARG A 93 8.994 -6.794 14.163 1.00 44.33 N ATOM 1488 CZ ARG A 93 9.279 -6.629 15.455 1.00 41.12 C ATOM 1489 NH1 ARG A 93 8.568 -5.777 16.187 1.00 50.22 N ATOM 1490 NH2 ARG A 93 10.266 -7.313 16.014 1.00 22.35 N ATOM 0 H ARG A 93 6.999 -4.837 9.924 1.00 23.54 H new ATOM 0 HA ARG A 93 9.770 -5.473 9.722 1.00 32.14 H new ATOM 0 HB2 ARG A 93 7.476 -7.020 10.987 1.00 24.44 H new ATOM 0 HB3 ARG A 93 9.182 -7.265 11.302 1.00 24.44 H new ATOM 0 HG2 ARG A 93 9.369 -5.020 12.274 1.00 5.44 H new ATOM 0 HG3 ARG A 93 7.703 -4.669 11.862 1.00 5.44 H new ATOM 0 HD2 ARG A 93 7.568 -5.266 14.123 1.00 44.13 H new ATOM 0 HD3 ARG A 93 7.092 -6.738 13.298 1.00 44.13 H new ATOM 0 HE ARG A 93 9.546 -7.463 13.627 1.00 44.33 H new ATOM 0 HH11 ARG A 93 7.806 -5.251 15.760 1.00 50.22 H new ATOM 0 HH12 ARG A 93 8.785 -5.650 17.176 1.00 50.22 H new ATOM 0 HH21 ARG A 93 10.812 -7.969 15.456 1.00 22.35 H new ATOM 0 HH22 ARG A 93 10.480 -7.183 17.003 1.00 22.35 H new ATOM 1504 N GLU A 94 7.623 -7.544 8.297 1.00 63.11 N ATOM 1505 CA GLU A 94 7.557 -8.696 7.416 1.00 45.13 C ATOM 1506 C GLU A 94 7.479 -8.299 5.939 1.00 33.23 C ATOM 1507 O GLU A 94 7.765 -9.120 5.068 1.00 13.43 O ATOM 1508 CB GLU A 94 6.403 -9.616 7.818 1.00 34.13 C ATOM 1509 CG GLU A 94 5.068 -8.915 7.987 1.00 53.34 C ATOM 1510 CD GLU A 94 4.012 -9.846 8.541 1.00 44.42 C ATOM 1511 OE1 GLU A 94 3.841 -10.952 7.985 1.00 34.34 O ATOM 1512 OE2 GLU A 94 3.365 -9.496 9.551 1.00 0.31 O ATOM 0 H GLU A 94 6.721 -7.203 8.629 1.00 63.11 H new ATOM 0 HA GLU A 94 8.489 -9.249 7.532 1.00 45.13 H new ATOM 0 HB2 GLU A 94 6.297 -10.395 7.063 1.00 34.13 H new ATOM 0 HB3 GLU A 94 6.660 -10.112 8.754 1.00 34.13 H new ATOM 0 HG2 GLU A 94 5.187 -8.062 8.655 1.00 53.34 H new ATOM 0 HG3 GLU A 94 4.739 -8.523 7.025 1.00 53.34 H new ATOM 1519 N SER A 95 7.108 -7.053 5.643 1.00 33.02 N ATOM 1520 CA SER A 95 7.137 -6.576 4.261 1.00 12.51 C ATOM 1521 C SER A 95 8.569 -6.236 3.879 1.00 53.45 C ATOM 1522 O SER A 95 8.987 -6.424 2.740 1.00 42.23 O ATOM 1523 CB SER A 95 6.216 -5.364 4.058 1.00 21.34 C ATOM 1524 OG SER A 95 6.616 -4.256 4.850 1.00 41.32 O ATOM 0 H SER A 95 6.790 -6.367 6.328 1.00 33.02 H new ATOM 0 HA SER A 95 6.765 -7.369 3.612 1.00 12.51 H new ATOM 0 HB2 SER A 95 6.219 -5.078 3.006 1.00 21.34 H new ATOM 0 HB3 SER A 95 5.192 -5.640 4.311 1.00 21.34 H new ATOM 0 HG SER A 95 6.644 -4.521 5.793 1.00 41.32 H new ATOM 1530 N LEU A 96 9.318 -5.748 4.857 1.00 34.44 N ATOM 1531 CA LEU A 96 10.751 -5.563 4.715 1.00 24.51 C ATOM 1532 C LEU A 96 11.418 -6.899 4.404 1.00 53.14 C ATOM 1533 O LEU A 96 12.225 -7.006 3.478 1.00 22.03 O ATOM 1534 CB LEU A 96 11.318 -4.985 6.007 1.00 4.20 C ATOM 1535 CG LEU A 96 11.806 -3.531 5.934 1.00 63.42 C ATOM 1536 CD1 LEU A 96 10.678 -2.592 5.526 1.00 31.24 C ATOM 1537 CD2 LEU A 96 12.392 -3.102 7.272 1.00 64.13 C ATOM 0 H LEU A 96 8.950 -5.471 5.767 1.00 34.44 H new ATOM 0 HA LEU A 96 10.948 -4.872 3.895 1.00 24.51 H new ATOM 0 HB2 LEU A 96 10.552 -5.052 6.779 1.00 4.20 H new ATOM 0 HB3 LEU A 96 12.150 -5.611 6.328 1.00 4.20 H new ATOM 0 HG LEU A 96 12.584 -3.475 5.173 1.00 63.42 H new ATOM 0 HD11 LEU A 96 11.053 -1.570 5.483 1.00 31.24 H new ATOM 0 HD12 LEU A 96 10.300 -2.882 4.545 1.00 31.24 H new ATOM 0 HD13 LEU A 96 9.872 -2.652 6.257 1.00 31.24 H new ATOM 0 HD21 LEU A 96 12.734 -2.069 7.205 1.00 64.13 H new ATOM 0 HD22 LEU A 96 11.629 -3.182 8.046 1.00 64.13 H new ATOM 0 HD23 LEU A 96 13.234 -3.747 7.524 1.00 64.13 H new ATOM 1549 N ARG A 97 11.056 -7.912 5.191 1.00 72.10 N ATOM 1550 CA ARG A 97 11.541 -9.277 4.987 1.00 53.53 C ATOM 1551 C ARG A 97 11.093 -9.823 3.633 1.00 54.33 C ATOM 1552 O ARG A 97 11.780 -10.640 3.022 1.00 62.11 O ATOM 1553 CB ARG A 97 11.024 -10.179 6.109 1.00 73.35 C ATOM 1554 CG ARG A 97 11.652 -9.888 7.460 1.00 73.42 C ATOM 1555 CD ARG A 97 13.016 -10.545 7.593 1.00 61.55 C ATOM 1556 NE ARG A 97 12.907 -11.995 7.751 1.00 70.14 N ATOM 1557 CZ ARG A 97 13.875 -12.859 7.450 1.00 64.30 C ATOM 1558 NH1 ARG A 97 15.011 -12.431 6.910 1.00 33.00 N ATOM 1559 NH2 ARG A 97 13.699 -14.157 7.677 1.00 50.14 N ATOM 0 H ARG A 97 10.422 -7.811 5.984 1.00 72.10 H new ATOM 0 HA ARG A 97 12.631 -9.261 5.002 1.00 53.53 H new ATOM 0 HB2 ARG A 97 9.943 -10.064 6.188 1.00 73.35 H new ATOM 0 HB3 ARG A 97 11.215 -11.219 5.845 1.00 73.35 H new ATOM 0 HG2 ARG A 97 11.752 -8.811 7.592 1.00 73.42 H new ATOM 0 HG3 ARG A 97 10.995 -10.247 8.253 1.00 73.42 H new ATOM 0 HD2 ARG A 97 13.616 -10.319 6.711 1.00 61.55 H new ATOM 0 HD3 ARG A 97 13.540 -10.124 8.451 1.00 61.55 H new ATOM 0 HE ARG A 97 12.031 -12.370 8.116 1.00 70.14 H new ATOM 0 HH11 ARG A 97 15.145 -11.437 6.724 1.00 33.00 H new ATOM 0 HH12 ARG A 97 15.749 -13.096 6.681 1.00 33.00 H new ATOM 0 HH21 ARG A 97 12.824 -14.490 8.081 1.00 50.14 H new ATOM 0 HH22 ARG A 97 14.439 -14.820 7.447 1.00 50.14 H new ATOM 1573 N ALA A 98 9.932 -9.378 3.176 1.00 64.13 N ATOM 1574 CA ALA A 98 9.422 -9.782 1.875 1.00 41.51 C ATOM 1575 C ALA A 98 10.224 -9.129 0.758 1.00 71.04 C ATOM 1576 O ALA A 98 10.733 -9.812 -0.128 1.00 4.42 O ATOM 1577 CB ALA A 98 7.950 -9.428 1.739 1.00 62.22 C ATOM 0 H ALA A 98 9.325 -8.737 3.687 1.00 64.13 H new ATOM 0 HA ALA A 98 9.527 -10.864 1.793 1.00 41.51 H new ATOM 0 HB1 ALA A 98 7.590 -9.739 0.758 1.00 62.22 H new ATOM 0 HB2 ALA A 98 7.380 -9.940 2.514 1.00 62.22 H new ATOM 0 HB3 ALA A 98 7.823 -8.351 1.847 1.00 62.22 H new ATOM 1583 N ALA A 99 10.346 -7.809 0.821 1.00 31.44 N ATOM 1584 CA ALA A 99 11.044 -7.044 -0.204 1.00 32.32 C ATOM 1585 C ALA A 99 12.473 -7.543 -0.406 1.00 35.44 C ATOM 1586 O ALA A 99 12.823 -8.006 -1.493 1.00 14.44 O ATOM 1587 CB ALA A 99 11.054 -5.566 0.156 1.00 12.02 C ATOM 0 H ALA A 99 9.966 -7.242 1.579 1.00 31.44 H new ATOM 0 HA ALA A 99 10.506 -7.183 -1.142 1.00 32.32 H new ATOM 0 HB1 ALA A 99 11.579 -5.006 -0.618 1.00 12.02 H new ATOM 0 HB2 ALA A 99 10.029 -5.204 0.234 1.00 12.02 H new ATOM 0 HB3 ALA A 99 11.562 -5.427 1.111 1.00 12.02 H new ATOM 1593 N SER A 100 13.292 -7.437 0.649 1.00 65.53 N ATOM 1594 CA SER A 100 14.703 -7.843 0.600 1.00 42.23 C ATOM 1595 C SER A 100 15.465 -7.104 -0.504 1.00 52.41 C ATOM 1596 O SER A 100 16.535 -7.533 -0.937 1.00 40.14 O ATOM 1597 CB SER A 100 14.806 -9.357 0.387 1.00 43.44 C ATOM 1598 OG SER A 100 14.072 -10.056 1.379 1.00 74.23 O ATOM 0 H SER A 100 12.998 -7.070 1.554 1.00 65.53 H new ATOM 0 HA SER A 100 15.160 -7.579 1.554 1.00 42.23 H new ATOM 0 HB2 SER A 100 14.428 -9.616 -0.602 1.00 43.44 H new ATOM 0 HB3 SER A 100 15.852 -9.663 0.419 1.00 43.44 H new ATOM 0 HG SER A 100 14.149 -11.021 1.224 1.00 74.23 H new ATOM 1604 N LEU A 101 14.925 -5.967 -0.930 1.00 35.14 N ATOM 1605 CA LEU A 101 15.484 -5.237 -2.058 1.00 44.31 C ATOM 1606 C LEU A 101 15.711 -3.771 -1.692 1.00 1.30 C ATOM 1607 O LEU A 101 15.874 -2.914 -2.564 1.00 3.30 O ATOM 1608 CB LEU A 101 14.526 -5.343 -3.250 1.00 71.24 C ATOM 1609 CG LEU A 101 15.148 -5.067 -4.616 1.00 42.41 C ATOM 1610 CD1 LEU A 101 16.190 -6.123 -4.941 1.00 54.34 C ATOM 1611 CD2 LEU A 101 14.077 -5.022 -5.694 1.00 55.04 C ATOM 0 H LEU A 101 14.102 -5.533 -0.511 1.00 35.14 H new ATOM 0 HA LEU A 101 16.447 -5.672 -2.323 1.00 44.31 H new ATOM 0 HB2 LEU A 101 14.096 -6.345 -3.261 1.00 71.24 H new ATOM 0 HB3 LEU A 101 13.703 -4.645 -3.096 1.00 71.24 H new ATOM 0 HG LEU A 101 15.638 -4.094 -4.584 1.00 42.41 H new ATOM 0 HD11 LEU A 101 16.626 -5.915 -5.918 1.00 54.34 H new ATOM 0 HD12 LEU A 101 16.973 -6.107 -4.183 1.00 54.34 H new ATOM 0 HD13 LEU A 101 15.719 -7.106 -4.956 1.00 54.34 H new ATOM 0 HD21 LEU A 101 14.541 -4.824 -6.660 1.00 55.04 H new ATOM 0 HD22 LEU A 101 13.557 -5.979 -5.731 1.00 55.04 H new ATOM 0 HD23 LEU A 101 13.364 -4.230 -5.465 1.00 55.04 H new ATOM 1623 N LEU A 102 15.764 -3.495 -0.392 1.00 70.21 N ATOM 1624 CA LEU A 102 15.841 -2.122 0.105 1.00 2.30 C ATOM 1625 C LEU A 102 17.197 -1.487 -0.178 1.00 13.44 C ATOM 1626 O LEU A 102 17.384 -0.292 0.044 1.00 35.12 O ATOM 1627 CB LEU A 102 15.549 -2.077 1.603 1.00 31.11 C ATOM 1628 CG LEU A 102 14.114 -2.431 1.993 1.00 1.35 C ATOM 1629 CD1 LEU A 102 13.961 -2.419 3.504 1.00 10.05 C ATOM 1630 CD2 LEU A 102 13.128 -1.465 1.350 1.00 50.12 C ATOM 0 H LEU A 102 15.755 -4.206 0.340 1.00 70.21 H new ATOM 0 HA LEU A 102 15.085 -1.545 -0.428 1.00 2.30 H new ATOM 0 HB2 LEU A 102 16.227 -2.763 2.111 1.00 31.11 H new ATOM 0 HB3 LEU A 102 15.773 -1.076 1.972 1.00 31.11 H new ATOM 0 HG LEU A 102 13.895 -3.435 1.628 1.00 1.35 H new ATOM 0 HD11 LEU A 102 12.934 -2.673 3.768 1.00 10.05 H new ATOM 0 HD12 LEU A 102 14.640 -3.149 3.944 1.00 10.05 H new ATOM 0 HD13 LEU A 102 14.199 -1.426 3.886 1.00 10.05 H new ATOM 0 HD21 LEU A 102 12.113 -1.735 1.640 1.00 50.12 H new ATOM 0 HD22 LEU A 102 13.343 -0.450 1.683 1.00 50.12 H new ATOM 0 HD23 LEU A 102 13.221 -1.518 0.265 1.00 50.12 H new ATOM 1642 N ASP A 103 18.129 -2.280 -0.682 1.00 74.42 N ATOM 1643 CA ASP A 103 19.454 -1.776 -1.017 1.00 50.11 C ATOM 1644 C ASP A 103 19.389 -0.818 -2.206 1.00 74.05 C ATOM 1645 O ASP A 103 20.260 0.037 -2.368 1.00 23.03 O ATOM 1646 CB ASP A 103 20.421 -2.930 -1.317 1.00 23.50 C ATOM 1647 CG ASP A 103 20.082 -3.672 -2.597 1.00 52.15 C ATOM 1648 OD1 ASP A 103 19.002 -4.296 -2.658 1.00 44.12 O ATOM 1649 OD2 ASP A 103 20.899 -3.639 -3.542 1.00 54.11 O ATOM 0 H ASP A 103 17.994 -3.274 -0.868 1.00 74.42 H new ATOM 0 HA ASP A 103 19.829 -1.228 -0.152 1.00 50.11 H new ATOM 0 HB2 ASP A 103 21.435 -2.537 -1.389 1.00 23.50 H new ATOM 0 HB3 ASP A 103 20.410 -3.632 -0.483 1.00 23.50 H new ATOM 1654 N LYS A 104 18.353 -0.949 -3.030 1.00 31.03 N ATOM 1655 CA LYS A 104 18.198 -0.077 -4.188 1.00 42.22 C ATOM 1656 C LYS A 104 16.883 0.698 -4.134 1.00 74.42 C ATOM 1657 O LYS A 104 16.828 1.862 -4.534 1.00 14.33 O ATOM 1658 CB LYS A 104 18.293 -0.885 -5.483 1.00 13.22 C ATOM 1659 CG LYS A 104 17.218 -1.950 -5.630 1.00 32.44 C ATOM 1660 CD LYS A 104 17.682 -3.070 -6.542 1.00 11.41 C ATOM 1661 CE LYS A 104 18.852 -3.815 -5.921 1.00 3.42 C ATOM 1662 NZ LYS A 104 19.383 -4.877 -6.812 1.00 21.03 N ATOM 0 H LYS A 104 17.615 -1.644 -2.918 1.00 31.03 H new ATOM 0 HA LYS A 104 19.011 0.649 -4.168 1.00 42.22 H new ATOM 0 HB2 LYS A 104 18.231 -0.202 -6.330 1.00 13.22 H new ATOM 0 HB3 LYS A 104 19.272 -1.363 -5.530 1.00 13.22 H new ATOM 0 HG2 LYS A 104 16.966 -2.355 -4.650 1.00 32.44 H new ATOM 0 HG3 LYS A 104 16.310 -1.502 -6.032 1.00 32.44 H new ATOM 0 HD2 LYS A 104 16.860 -3.761 -6.725 1.00 11.41 H new ATOM 0 HD3 LYS A 104 17.976 -2.661 -7.509 1.00 11.41 H new ATOM 0 HE2 LYS A 104 19.648 -3.107 -5.689 1.00 3.42 H new ATOM 0 HE3 LYS A 104 18.536 -4.260 -4.977 1.00 3.42 H new ATOM 0 HZ1 LYS A 104 20.179 -5.356 -6.345 1.00 21.03 H new ATOM 0 HZ2 LYS A 104 18.633 -5.568 -7.014 1.00 21.03 H new ATOM 0 HZ3 LYS A 104 19.710 -4.451 -7.703 1.00 21.03 H new ATOM 1676 N ILE A 105 15.822 0.064 -3.642 1.00 42.12 N ATOM 1677 CA ILE A 105 14.540 0.744 -3.525 1.00 51.22 C ATOM 1678 C ILE A 105 14.580 1.739 -2.366 1.00 72.54 C ATOM 1679 O ILE A 105 14.198 2.897 -2.513 1.00 51.02 O ATOM 1680 CB ILE A 105 13.354 -0.248 -3.361 1.00 11.24 C ATOM 1681 CG1 ILE A 105 13.507 -1.095 -2.105 1.00 31.03 C ATOM 1682 CG2 ILE A 105 13.255 -1.153 -4.582 1.00 20.10 C ATOM 1683 CD1 ILE A 105 12.404 -2.113 -1.909 1.00 62.14 C ATOM 0 H ILE A 105 15.825 -0.905 -3.323 1.00 42.12 H new ATOM 0 HA ILE A 105 14.369 1.284 -4.456 1.00 51.22 H new ATOM 0 HB ILE A 105 12.440 0.339 -3.267 1.00 11.24 H new ATOM 0 HG12 ILE A 105 14.464 -1.615 -2.145 1.00 31.03 H new ATOM 0 HG13 ILE A 105 13.538 -0.436 -1.237 1.00 31.03 H new ATOM 0 HG21 ILE A 105 12.421 -1.844 -4.456 1.00 20.10 H new ATOM 0 HG22 ILE A 105 13.092 -0.546 -5.473 1.00 20.10 H new ATOM 0 HG23 ILE A 105 14.181 -1.718 -4.692 1.00 20.10 H new ATOM 0 HD11 ILE A 105 12.586 -2.675 -0.993 1.00 62.14 H new ATOM 0 HD12 ILE A 105 11.445 -1.601 -1.835 1.00 62.14 H new ATOM 0 HD13 ILE A 105 12.386 -2.797 -2.757 1.00 62.14 H new ATOM 1695 N GLY A 106 15.122 1.297 -1.237 1.00 63.45 N ATOM 1696 CA GLY A 106 15.218 2.152 -0.069 1.00 62.14 C ATOM 1697 C GLY A 106 13.864 2.537 0.509 1.00 2.10 C ATOM 1698 O GLY A 106 13.260 1.773 1.259 1.00 2.31 O ATOM 0 H GLY A 106 15.498 0.357 -1.110 1.00 63.45 H new ATOM 0 HA2 GLY A 106 15.801 1.643 0.698 1.00 62.14 H new ATOM 0 HA3 GLY A 106 15.763 3.058 -0.335 1.00 62.14 H new ATOM 1702 N GLU A 107 13.382 3.714 0.132 1.00 21.35 N ATOM 1703 CA GLU A 107 12.192 4.298 0.744 1.00 72.12 C ATOM 1704 C GLU A 107 10.946 4.081 -0.111 1.00 72.55 C ATOM 1705 O GLU A 107 10.095 4.965 -0.214 1.00 60.54 O ATOM 1706 CB GLU A 107 12.418 5.794 0.973 1.00 31.12 C ATOM 1707 CG GLU A 107 13.486 6.095 2.008 1.00 44.41 C ATOM 1708 CD GLU A 107 13.779 7.574 2.138 1.00 44.41 C ATOM 1709 OE1 GLU A 107 12.852 8.351 2.444 1.00 53.25 O ATOM 1710 OE2 GLU A 107 14.952 7.969 1.957 1.00 24.12 O ATOM 0 H GLU A 107 13.800 4.288 -0.600 1.00 21.35 H new ATOM 0 HA GLU A 107 12.024 3.797 1.697 1.00 72.12 H new ATOM 0 HB2 GLU A 107 12.698 6.260 0.028 1.00 31.12 H new ATOM 0 HB3 GLU A 107 11.480 6.251 1.288 1.00 31.12 H new ATOM 0 HG2 GLU A 107 13.167 5.706 2.975 1.00 44.41 H new ATOM 0 HG3 GLU A 107 14.403 5.570 1.740 1.00 44.41 H new ATOM 1717 N ASP A 108 10.821 2.894 -0.691 1.00 13.34 N ATOM 1718 CA ASP A 108 9.655 2.561 -1.509 1.00 43.00 C ATOM 1719 C ASP A 108 8.451 2.216 -0.631 1.00 15.42 C ATOM 1720 O ASP A 108 7.369 1.918 -1.135 1.00 31.02 O ATOM 1721 CB ASP A 108 9.965 1.402 -2.466 1.00 52.34 C ATOM 1722 CG ASP A 108 10.800 1.830 -3.664 1.00 3.42 C ATOM 1723 OD1 ASP A 108 11.551 2.819 -3.551 1.00 32.24 O ATOM 1724 OD2 ASP A 108 10.727 1.164 -4.719 1.00 54.52 O ATOM 0 H ASP A 108 11.509 2.145 -0.612 1.00 13.34 H new ATOM 0 HA ASP A 108 9.408 3.440 -2.104 1.00 43.00 H new ATOM 0 HB2 ASP A 108 10.494 0.620 -1.922 1.00 52.34 H new ATOM 0 HB3 ASP A 108 9.029 0.968 -2.818 1.00 52.34 H new ATOM 1729 N HIS A 109 8.651 2.248 0.688 1.00 62.33 N ATOM 1730 CA HIS A 109 7.558 2.073 1.644 1.00 21.32 C ATOM 1731 C HIS A 109 8.048 2.313 3.075 1.00 4.21 C ATOM 1732 O HIS A 109 9.013 1.695 3.521 1.00 40.13 O ATOM 1733 CB HIS A 109 6.900 0.685 1.507 1.00 3.52 C ATOM 1734 CG HIS A 109 7.751 -0.489 1.902 1.00 3.12 C ATOM 1735 ND1 HIS A 109 8.800 -1.075 1.282 1.00 12.41 N flip ATOM 1736 CD2 HIS A 109 7.501 -1.247 3.024 1.00 53.14 C flip ATOM 1737 CE1 HIS A 109 9.162 -2.172 2.026 1.00 65.52 C flip ATOM 1738 NE2 HIS A 109 8.359 -2.246 3.074 1.00 35.23 N flip ATOM 0 H HIS A 109 9.564 2.394 1.119 1.00 62.33 H new ATOM 0 HA HIS A 109 6.794 2.816 1.415 1.00 21.32 H new ATOM 0 HB2 HIS A 109 5.995 0.673 2.114 1.00 3.52 H new ATOM 0 HB3 HIS A 109 6.591 0.552 0.470 1.00 3.52 H new ATOM 0 HD1 HIS A 109 9.242 -0.760 0.419 1.00 12.41 H new ATOM 0 HD2 HIS A 109 6.724 -1.053 3.749 1.00 53.14 H new ATOM 0 HE1 HIS A 109 9.965 -2.856 1.795 1.00 65.52 H new ATOM 1747 N ILE A 110 7.382 3.226 3.777 1.00 42.12 N ATOM 1748 CA ILE A 110 7.777 3.608 5.133 1.00 72.43 C ATOM 1749 C ILE A 110 6.547 3.692 6.048 1.00 21.23 C ATOM 1750 O ILE A 110 5.609 2.907 5.902 1.00 21.30 O ATOM 1751 CB ILE A 110 8.547 4.959 5.169 1.00 73.14 C ATOM 1752 CG1 ILE A 110 7.656 6.134 4.736 1.00 55.43 C ATOM 1753 CG2 ILE A 110 9.803 4.890 4.309 1.00 50.22 C ATOM 1754 CD1 ILE A 110 7.401 6.233 3.243 1.00 60.15 C ATOM 0 H ILE A 110 6.560 3.719 3.427 1.00 42.12 H new ATOM 0 HA ILE A 110 8.452 2.832 5.494 1.00 72.43 H new ATOM 0 HB ILE A 110 8.845 5.136 6.202 1.00 73.14 H new ATOM 0 HG12 ILE A 110 6.697 6.051 5.248 1.00 55.43 H new ATOM 0 HG13 ILE A 110 8.117 7.063 5.072 1.00 55.43 H new ATOM 0 HG21 ILE A 110 10.325 5.846 4.350 1.00 50.22 H new ATOM 0 HG22 ILE A 110 10.458 4.103 4.684 1.00 50.22 H new ATOM 0 HG23 ILE A 110 9.526 4.671 3.278 1.00 50.22 H new ATOM 0 HD11 ILE A 110 6.763 7.093 3.039 1.00 60.15 H new ATOM 0 HD12 ILE A 110 8.349 6.352 2.719 1.00 60.15 H new ATOM 0 HD13 ILE A 110 6.907 5.325 2.897 1.00 60.15 H new ATOM 1766 N PHE A 111 6.547 4.639 6.988 1.00 12.34 N ATOM 1767 CA PHE A 111 5.469 4.756 7.964 1.00 41.34 C ATOM 1768 C PHE A 111 4.663 6.046 7.815 1.00 10.03 C ATOM 1769 O PHE A 111 4.903 6.844 6.909 1.00 1.03 O ATOM 1770 CB PHE A 111 6.036 4.671 9.380 1.00 13.45 C ATOM 1771 CG PHE A 111 5.666 3.399 10.070 1.00 64.02 C ATOM 1772 CD1 PHE A 111 5.944 2.182 9.480 1.00 22.10 C ATOM 1773 CD2 PHE A 111 5.022 3.417 11.293 1.00 22.04 C ATOM 1774 CE1 PHE A 111 5.593 1.004 10.095 1.00 73.01 C ATOM 1775 CE2 PHE A 111 4.662 2.239 11.916 1.00 63.21 C ATOM 1776 CZ PHE A 111 4.949 1.028 11.316 1.00 34.42 C ATOM 0 H PHE A 111 7.284 5.336 7.092 1.00 12.34 H new ATOM 0 HA PHE A 111 4.787 3.927 7.776 1.00 41.34 H new ATOM 0 HB2 PHE A 111 7.122 4.755 9.338 1.00 13.45 H new ATOM 0 HB3 PHE A 111 5.673 5.516 9.964 1.00 13.45 H new ATOM 0 HD1 PHE A 111 6.444 2.155 8.523 1.00 22.10 H new ATOM 0 HD2 PHE A 111 4.798 4.362 11.766 1.00 22.04 H new ATOM 0 HE1 PHE A 111 5.821 0.060 9.623 1.00 73.01 H new ATOM 0 HE2 PHE A 111 4.157 2.264 12.870 1.00 63.21 H new ATOM 0 HZ PHE A 111 4.671 0.104 11.800 1.00 34.42 H new ATOM 1786 N MET A 112 3.686 6.194 8.716 1.00 61.31 N ATOM 1787 CA MET A 112 2.808 7.372 8.826 1.00 5.21 C ATOM 1788 C MET A 112 3.516 8.687 8.483 1.00 34.14 C ATOM 1789 O MET A 112 4.444 9.100 9.179 1.00 0.42 O ATOM 1790 CB MET A 112 2.279 7.433 10.267 1.00 22.04 C ATOM 1791 CG MET A 112 1.429 8.651 10.611 1.00 75.31 C ATOM 1792 SD MET A 112 -0.291 8.496 10.082 1.00 43.35 S ATOM 1793 CE MET A 112 -0.188 9.028 8.381 1.00 20.55 C ATOM 0 H MET A 112 3.475 5.478 9.411 1.00 61.31 H new ATOM 0 HA MET A 112 2.000 7.261 8.102 1.00 5.21 H new ATOM 0 HB2 MET A 112 1.688 6.536 10.455 1.00 22.04 H new ATOM 0 HB3 MET A 112 3.130 7.403 10.948 1.00 22.04 H new ATOM 0 HG2 MET A 112 1.457 8.812 11.689 1.00 75.31 H new ATOM 0 HG3 MET A 112 1.867 9.534 10.145 1.00 75.31 H new ATOM 0 HE1 MET A 112 -0.906 8.469 7.781 1.00 20.55 H new ATOM 0 HE2 MET A 112 -0.414 10.092 8.318 1.00 20.55 H new ATOM 0 HE3 MET A 112 0.819 8.848 8.004 1.00 20.55 H new ATOM 1803 N THR A 113 3.068 9.339 7.404 1.00 42.51 N ATOM 1804 CA THR A 113 3.594 10.649 7.017 1.00 70.15 C ATOM 1805 C THR A 113 2.935 11.157 5.726 1.00 60.35 C ATOM 1806 O THR A 113 2.650 12.350 5.596 1.00 43.24 O ATOM 1807 CB THR A 113 5.138 10.627 6.838 1.00 54.33 C ATOM 1808 OG1 THR A 113 5.626 11.946 6.560 1.00 14.23 O ATOM 1809 CG2 THR A 113 5.554 9.687 5.717 1.00 62.35 C ATOM 0 H THR A 113 2.342 8.979 6.784 1.00 42.51 H new ATOM 0 HA THR A 113 3.352 11.331 7.832 1.00 70.15 H new ATOM 0 HB THR A 113 5.572 10.266 7.770 1.00 54.33 H new ATOM 0 HG1 THR A 113 6.223 11.917 5.784 1.00 14.23 H new ATOM 0 HG21 THR A 113 6.640 9.696 5.619 1.00 62.35 H new ATOM 0 HG22 THR A 113 5.219 8.676 5.947 1.00 62.35 H new ATOM 0 HG23 THR A 113 5.102 10.015 4.781 1.00 62.35 H new ATOM 1817 N LEU A 114 2.649 10.234 4.805 1.00 15.24 N ATOM 1818 CA LEU A 114 2.207 10.570 3.441 1.00 40.34 C ATOM 1819 C LEU A 114 1.096 11.626 3.358 1.00 54.24 C ATOM 1820 O LEU A 114 1.252 12.592 2.610 1.00 75.40 O ATOM 1821 CB LEU A 114 1.763 9.314 2.701 1.00 52.54 C ATOM 1822 CG LEU A 114 2.861 8.576 1.937 1.00 75.54 C ATOM 1823 CD1 LEU A 114 3.972 8.111 2.865 1.00 74.24 C ATOM 1824 CD2 LEU A 114 2.266 7.400 1.199 1.00 30.32 C ATOM 0 H LEU A 114 2.716 9.231 4.979 1.00 15.24 H new ATOM 0 HA LEU A 114 3.082 11.016 2.968 1.00 40.34 H new ATOM 0 HB2 LEU A 114 1.321 8.626 3.422 1.00 52.54 H new ATOM 0 HB3 LEU A 114 0.976 9.587 1.998 1.00 52.54 H new ATOM 0 HG LEU A 114 3.301 9.269 1.220 1.00 75.54 H new ATOM 0 HD11 LEU A 114 4.735 7.590 2.287 1.00 74.24 H new ATOM 0 HD12 LEU A 114 4.418 8.974 3.360 1.00 74.24 H new ATOM 0 HD13 LEU A 114 3.561 7.435 3.615 1.00 74.24 H new ATOM 0 HD21 LEU A 114 3.052 6.876 0.655 1.00 30.32 H new ATOM 0 HD22 LEU A 114 1.803 6.719 1.913 1.00 30.32 H new ATOM 0 HD23 LEU A 114 1.513 7.755 0.495 1.00 30.32 H new ATOM 1836 N PRO A 115 -0.038 11.467 4.088 1.00 43.34 N ATOM 1837 CA PRO A 115 -1.188 12.394 4.001 1.00 22.11 C ATOM 1838 C PRO A 115 -0.797 13.876 3.992 1.00 62.24 C ATOM 1839 O PRO A 115 -1.439 14.683 3.319 1.00 44.52 O ATOM 1840 CB PRO A 115 -2.000 12.065 5.252 1.00 64.20 C ATOM 1841 CG PRO A 115 -1.760 10.616 5.475 1.00 4.44 C ATOM 1842 CD PRO A 115 -0.315 10.367 5.038 1.00 11.04 C ATOM 0 HA PRO A 115 -1.727 12.260 3.063 1.00 22.11 H new ATOM 0 HB2 PRO A 115 -1.673 12.658 6.106 1.00 64.20 H new ATOM 0 HB3 PRO A 115 -3.059 12.275 5.105 1.00 64.20 H new ATOM 0 HG2 PRO A 115 -1.904 10.351 6.523 1.00 4.44 H new ATOM 0 HG3 PRO A 115 -2.455 10.010 4.895 1.00 4.44 H new ATOM 0 HD2 PRO A 115 0.369 10.390 5.886 1.00 11.04 H new ATOM 0 HD3 PRO A 115 -0.203 9.392 4.564 1.00 11.04 H new ATOM 1850 N THR A 116 0.242 14.233 4.734 1.00 12.55 N ATOM 1851 CA THR A 116 0.712 15.611 4.751 1.00 11.13 C ATOM 1852 C THR A 116 2.032 15.747 3.983 1.00 64.24 C ATOM 1853 O THR A 116 2.318 16.795 3.401 1.00 61.33 O ATOM 1854 CB THR A 116 0.877 16.132 6.204 1.00 44.03 C ATOM 1855 OG1 THR A 116 1.208 17.527 6.204 1.00 63.00 O ATOM 1856 CG2 THR A 116 1.953 15.355 6.954 1.00 5.11 C ATOM 0 H THR A 116 0.771 13.594 5.327 1.00 12.55 H new ATOM 0 HA THR A 116 -0.042 16.222 4.255 1.00 11.13 H new ATOM 0 HB THR A 116 -0.076 15.986 6.713 1.00 44.03 H new ATOM 0 HG1 THR A 116 1.307 17.840 7.127 1.00 63.00 H new ATOM 0 HG21 THR A 116 2.043 15.745 7.968 1.00 5.11 H new ATOM 0 HG22 THR A 116 1.679 14.301 6.994 1.00 5.11 H new ATOM 0 HG23 THR A 116 2.907 15.463 6.437 1.00 5.11 H new ATOM 1864 N ALA A 117 2.812 14.667 3.952 1.00 64.43 N ATOM 1865 CA ALA A 117 4.125 14.680 3.317 1.00 72.24 C ATOM 1866 C ALA A 117 4.032 15.010 1.831 1.00 11.52 C ATOM 1867 O ALA A 117 4.649 15.966 1.369 1.00 4.15 O ATOM 1868 CB ALA A 117 4.826 13.346 3.511 1.00 62.13 C ATOM 0 H ALA A 117 2.554 13.769 4.362 1.00 64.43 H new ATOM 0 HA ALA A 117 4.710 15.464 3.798 1.00 72.24 H new ATOM 0 HB1 ALA A 117 5.804 13.375 3.030 1.00 62.13 H new ATOM 0 HB2 ALA A 117 4.951 13.152 4.576 1.00 62.13 H new ATOM 0 HB3 ALA A 117 4.227 12.552 3.066 1.00 62.13 H new ATOM 1874 N VAL A 118 3.247 14.228 1.091 1.00 11.03 N ATOM 1875 CA VAL A 118 3.143 14.407 -0.358 1.00 41.13 C ATOM 1876 C VAL A 118 2.650 15.812 -0.698 1.00 24.11 C ATOM 1877 O VAL A 118 3.083 16.415 -1.684 1.00 13.13 O ATOM 1878 CB VAL A 118 2.214 13.350 -1.007 1.00 45.13 C ATOM 1879 CG1 VAL A 118 2.763 11.946 -0.785 1.00 24.14 C ATOM 1880 CG2 VAL A 118 0.790 13.453 -0.471 1.00 71.21 C ATOM 0 H VAL A 118 2.677 13.470 1.467 1.00 11.03 H new ATOM 0 HA VAL A 118 4.144 14.271 -0.768 1.00 41.13 H new ATOM 0 HB VAL A 118 2.184 13.551 -2.078 1.00 45.13 H new ATOM 0 HG11 VAL A 118 2.097 11.218 -1.248 1.00 24.14 H new ATOM 0 HG12 VAL A 118 3.754 11.868 -1.233 1.00 24.14 H new ATOM 0 HG13 VAL A 118 2.831 11.747 0.284 1.00 24.14 H new ATOM 0 HG21 VAL A 118 0.166 12.697 -0.948 1.00 71.21 H new ATOM 0 HG22 VAL A 118 0.795 13.292 0.607 1.00 71.21 H new ATOM 0 HG23 VAL A 118 0.390 14.443 -0.689 1.00 71.21 H new ATOM 1890 N GLN A 119 1.780 16.335 0.155 1.00 75.52 N ATOM 1891 CA GLN A 119 1.228 17.668 -0.009 1.00 12.43 C ATOM 1892 C GLN A 119 2.326 18.718 0.130 1.00 3.10 C ATOM 1893 O GLN A 119 2.466 19.605 -0.710 1.00 43.31 O ATOM 1894 CB GLN A 119 0.150 17.898 1.047 1.00 40.21 C ATOM 1895 CG GLN A 119 -0.549 19.243 0.941 1.00 24.13 C ATOM 1896 CD GLN A 119 -1.491 19.506 2.103 1.00 44.24 C ATOM 1897 OE1 GLN A 119 -1.137 19.017 3.284 1.00 12.04 O flip ATOM 1898 NE2 GLN A 119 -2.523 20.164 1.948 1.00 72.25 N flip ATOM 0 H GLN A 119 1.438 15.844 0.981 1.00 75.52 H new ATOM 0 HA GLN A 119 0.791 17.756 -1.004 1.00 12.43 H new ATOM 0 HB2 GLN A 119 -0.595 17.107 0.968 1.00 40.21 H new ATOM 0 HB3 GLN A 119 0.601 17.813 2.035 1.00 40.21 H new ATOM 0 HG2 GLN A 119 0.199 20.035 0.899 1.00 24.13 H new ATOM 0 HG3 GLN A 119 -1.110 19.284 0.007 1.00 24.13 H new ATOM 0 HE21 GLN A 119 -2.764 20.525 1.025 1.00 72.25 H new ATOM 0 HE22 GLN A 119 -3.135 20.347 2.743 1.00 72.25 H new ATOM 1907 N ALA A 120 3.117 18.591 1.190 1.00 4.22 N ATOM 1908 CA ALA A 120 4.173 19.549 1.478 1.00 31.31 C ATOM 1909 C ALA A 120 5.348 19.395 0.519 1.00 70.05 C ATOM 1910 O ALA A 120 6.149 20.316 0.360 1.00 13.15 O ATOM 1911 CB ALA A 120 4.645 19.398 2.915 1.00 1.35 C ATOM 0 H ALA A 120 3.044 17.830 1.865 1.00 4.22 H new ATOM 0 HA ALA A 120 3.760 20.548 1.340 1.00 31.31 H new ATOM 0 HB1 ALA A 120 5.435 20.121 3.116 1.00 1.35 H new ATOM 0 HB2 ALA A 120 3.810 19.575 3.593 1.00 1.35 H new ATOM 0 HB3 ALA A 120 5.029 18.389 3.068 1.00 1.35 H new ATOM 1917 N PHE A 121 5.451 18.235 -0.112 1.00 60.21 N ATOM 1918 CA PHE A 121 6.537 17.976 -1.045 1.00 51.33 C ATOM 1919 C PHE A 121 6.295 18.646 -2.391 1.00 71.32 C ATOM 1920 O PHE A 121 6.951 19.631 -2.722 1.00 14.12 O ATOM 1921 CB PHE A 121 6.763 16.474 -1.237 1.00 33.01 C ATOM 1922 CG PHE A 121 7.499 15.832 -0.095 1.00 61.12 C ATOM 1923 CD1 PHE A 121 8.506 16.519 0.559 1.00 71.21 C ATOM 1924 CD2 PHE A 121 7.191 14.543 0.318 1.00 4.44 C ATOM 1925 CE1 PHE A 121 9.197 15.937 1.604 1.00 5.53 C ATOM 1926 CE2 PHE A 121 7.877 13.956 1.364 1.00 33.21 C ATOM 1927 CZ PHE A 121 8.880 14.654 2.009 1.00 2.41 C ATOM 0 H PHE A 121 4.798 17.460 0.004 1.00 60.21 H new ATOM 0 HA PHE A 121 7.437 18.407 -0.608 1.00 51.33 H new ATOM 0 HB2 PHE A 121 5.798 15.982 -1.361 1.00 33.01 H new ATOM 0 HB3 PHE A 121 7.324 16.313 -2.158 1.00 33.01 H new ATOM 0 HD1 PHE A 121 8.755 17.523 0.249 1.00 71.21 H new ATOM 0 HD2 PHE A 121 6.408 13.994 -0.183 1.00 4.44 H new ATOM 0 HE1 PHE A 121 9.983 16.483 2.104 1.00 5.53 H new ATOM 0 HE2 PHE A 121 7.629 12.952 1.677 1.00 33.21 H new ATOM 0 HZ PHE A 121 9.416 14.198 2.828 1.00 2.41 H new ATOM 1937 N ARG A 122 5.332 18.142 -3.155 1.00 41.22 N ATOM 1938 CA ARG A 122 5.166 18.596 -4.533 1.00 23.22 C ATOM 1939 C ARG A 122 4.398 19.911 -4.631 1.00 31.44 C ATOM 1940 O ARG A 122 3.953 20.304 -5.710 1.00 31.11 O ATOM 1941 CB ARG A 122 4.540 17.499 -5.409 1.00 73.52 C ATOM 1942 CG ARG A 122 3.243 16.893 -4.890 1.00 34.42 C ATOM 1943 CD ARG A 122 2.022 17.716 -5.272 1.00 75.34 C ATOM 1944 NE ARG A 122 0.804 16.915 -5.212 1.00 4.01 N ATOM 1945 CZ ARG A 122 -0.404 17.394 -4.934 1.00 10.13 C ATOM 1946 NH1 ARG A 122 -0.584 18.697 -4.743 1.00 61.11 N ATOM 1947 NH2 ARG A 122 -1.439 16.567 -4.883 1.00 5.21 N ATOM 0 H ARG A 122 4.665 17.432 -2.852 1.00 41.22 H new ATOM 0 HA ARG A 122 6.164 18.800 -4.921 1.00 23.22 H new ATOM 0 HB2 ARG A 122 4.354 17.914 -6.399 1.00 73.52 H new ATOM 0 HB3 ARG A 122 5.269 16.698 -5.531 1.00 73.52 H new ATOM 0 HG2 ARG A 122 3.134 15.883 -5.285 1.00 34.42 H new ATOM 0 HG3 ARG A 122 3.294 16.807 -3.805 1.00 34.42 H new ATOM 0 HD2 ARG A 122 1.932 18.570 -4.601 1.00 75.34 H new ATOM 0 HD3 ARG A 122 2.149 18.114 -6.279 1.00 75.34 H new ATOM 0 HE ARG A 122 0.886 15.915 -5.397 1.00 4.01 H new ATOM 0 HH11 ARG A 122 0.208 19.336 -4.809 1.00 61.11 H new ATOM 0 HH12 ARG A 122 -1.514 19.058 -4.530 1.00 61.11 H new ATOM 0 HH21 ARG A 122 -1.305 15.571 -5.056 1.00 5.21 H new ATOM 0 HH22 ARG A 122 -2.369 16.927 -4.670 1.00 5.21 H new ATOM 1961 N ARG A 123 4.260 20.598 -3.506 1.00 51.43 N ATOM 1962 CA ARG A 123 3.779 21.973 -3.511 1.00 51.05 C ATOM 1963 C ARG A 123 4.921 22.893 -3.938 1.00 35.10 C ATOM 1964 O ARG A 123 4.711 23.871 -4.653 1.00 73.12 O ATOM 1965 CB ARG A 123 3.281 22.380 -2.118 1.00 30.43 C ATOM 1966 CG ARG A 123 4.395 22.474 -1.087 1.00 24.00 C ATOM 1967 CD ARG A 123 3.897 22.966 0.254 1.00 33.44 C ATOM 1968 NE ARG A 123 5.008 23.203 1.180 1.00 5.11 N ATOM 1969 CZ ARG A 123 5.218 24.354 1.823 1.00 4.11 C ATOM 1970 NH1 ARG A 123 4.368 25.364 1.697 1.00 64.54 N ATOM 1971 NH2 ARG A 123 6.285 24.488 2.602 1.00 31.23 N ATOM 0 H ARG A 123 4.474 20.227 -2.580 1.00 51.43 H new ATOM 0 HA ARG A 123 2.946 22.057 -4.209 1.00 51.05 H new ATOM 0 HB2 ARG A 123 2.776 23.344 -2.187 1.00 30.43 H new ATOM 0 HB3 ARG A 123 2.540 21.656 -1.778 1.00 30.43 H new ATOM 0 HG2 ARG A 123 4.856 21.494 -0.963 1.00 24.00 H new ATOM 0 HG3 ARG A 123 5.170 23.147 -1.453 1.00 24.00 H new ATOM 0 HD2 ARG A 123 3.331 23.888 0.118 1.00 33.44 H new ATOM 0 HD3 ARG A 123 3.214 22.232 0.682 1.00 33.44 H new ATOM 0 HE ARG A 123 5.663 22.439 1.344 1.00 5.11 H new ATOM 0 HH11 ARG A 123 3.544 25.266 1.104 1.00 64.54 H new ATOM 0 HH12 ARG A 123 4.538 26.239 2.193 1.00 64.54 H new ATOM 0 HH21 ARG A 123 6.940 23.713 2.707 1.00 31.23 H new ATOM 0 HH22 ARG A 123 6.449 25.366 3.095 1.00 31.23 H new ATOM 1985 N ARG A 124 6.133 22.520 -3.506 1.00 71.12 N ATOM 1986 CA ARG A 124 7.354 23.294 -3.723 1.00 41.21 C ATOM 1987 C ARG A 124 7.128 24.786 -3.493 1.00 63.21 C ATOM 1988 O ARG A 124 7.128 25.558 -4.478 1.00 4.05 O ATOM 1989 CB ARG A 124 7.923 23.046 -5.122 1.00 33.53 C ATOM 1990 CG ARG A 124 8.312 21.598 -5.383 1.00 41.31 C ATOM 1991 CD ARG A 124 9.178 21.029 -4.266 1.00 63.13 C ATOM 1992 NE ARG A 124 10.353 21.853 -3.991 1.00 25.13 N ATOM 1993 CZ ARG A 124 10.703 22.251 -2.768 1.00 43.41 C ATOM 1994 NH1 ARG A 124 9.970 21.895 -1.720 1.00 24.23 N ATOM 1995 NH2 ARG A 124 11.785 22.996 -2.598 1.00 23.15 N ATOM 0 H ARG A 124 6.291 21.656 -2.987 1.00 71.12 H new ATOM 0 HA ARG A 124 8.084 22.953 -2.989 1.00 41.21 H new ATOM 0 HB2 ARG A 124 7.185 23.353 -5.863 1.00 33.53 H new ATOM 0 HB3 ARG A 124 8.799 23.678 -5.264 1.00 33.53 H new ATOM 0 HG2 ARG A 124 7.411 20.994 -5.487 1.00 41.31 H new ATOM 0 HG3 ARG A 124 8.850 21.532 -6.328 1.00 41.31 H new ATOM 0 HD2 ARG A 124 8.581 20.939 -3.358 1.00 63.13 H new ATOM 0 HD3 ARG A 124 9.499 20.023 -4.537 1.00 63.13 H new ATOM 0 HE ARG A 124 10.937 22.139 -4.777 1.00 25.13 H new ATOM 0 HH11 ARG A 124 9.140 21.317 -1.851 1.00 24.23 H new ATOM 0 HH12 ARG A 124 10.237 22.199 -0.784 1.00 24.23 H new ATOM 0 HH21 ARG A 124 12.350 23.265 -3.403 1.00 23.15 H new ATOM 0 HH22 ARG A 124 12.053 23.300 -1.662 1.00 23.15 H new