USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.11) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 170:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 158:sc= -0.0263 (180deg=-0.926) USER MOD Single : A 27 SER OG : rot 87:sc= 1.26 USER MOD Single : A 32 GLN : amide:sc= -2.94! K(o=-2.9!,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= -0.0638 (180deg=-0.468) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.12 K(o=1.1,f=-0.068) USER MOD Single : A 47 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=-0.0038) USER MOD Single : A 51 THR OG1 : rot 70:sc= 0.991 USER MOD Single : A 54 TYR OH : rot -108:sc= 0.0399 USER MOD Single : A 55 ASN : amide:sc= -0.342 K(o=-0.34,f=-3.2!) USER MOD Single : A 65 ASN : amide:sc= -0.243 K(o=-0.24,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 71 CYS SG : rot 143:sc= 1.09 USER MOD Single : A 72 HIS : no HE2:sc= 0.612 K(o=0.61,f=-1.9!) USER MOD Single : A 73 TYR OH : rot -141:sc= 1.04 USER MOD Single : A 77 SER OG : rot 180:sc=0.000412 USER MOD Single : A 83 TYR OH : rot 46:sc= -1.36! USER MOD Single : A 85 SER OG : rot 10:sc= 0.761 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 6 3.599 17.240 2.684 1.00 50.54 N ATOM 73 CA GLU A 6 4.118 15.915 2.950 1.00 45.04 C ATOM 74 C GLU A 6 3.203 14.857 2.346 1.00 14.25 C ATOM 75 O GLU A 6 1.989 15.054 2.248 1.00 51.12 O ATOM 76 CB GLU A 6 4.251 15.704 4.456 1.00 24.42 C ATOM 77 CG GLU A 6 5.156 16.721 5.131 1.00 1.12 C ATOM 78 CD GLU A 6 5.185 16.557 6.635 1.00 2.41 C ATOM 79 OE1 GLU A 6 4.322 17.149 7.316 1.00 34.32 O ATOM 80 OE2 GLU A 6 6.061 15.823 7.145 1.00 0.11 O ATOM 0 HA GLU A 6 5.102 15.822 2.491 1.00 45.04 H new ATOM 0 HB2 GLU A 6 3.261 15.751 4.911 1.00 24.42 H new ATOM 0 HB3 GLU A 6 4.640 14.703 4.642 1.00 24.42 H new ATOM 0 HG2 GLU A 6 6.168 16.621 4.738 1.00 1.12 H new ATOM 0 HG3 GLU A 6 4.816 17.727 4.884 1.00 1.12 H new ATOM 85 N PRO A 7 3.781 13.727 1.919 1.00 21.01 N ATOM 86 CA PRO A 7 3.030 12.629 1.324 1.00 2.30 C ATOM 87 C PRO A 7 2.396 11.741 2.384 1.00 1.23 C ATOM 88 O PRO A 7 2.530 11.988 3.582 1.00 72.11 O ATOM 89 CB PRO A 7 4.102 11.871 0.548 1.00 14.12 C ATOM 90 CG PRO A 7 5.345 12.070 1.345 1.00 32.13 C ATOM 91 CD PRO A 7 5.223 13.429 1.988 1.00 31.53 C ATOM 0 HA PRO A 7 2.199 12.968 0.706 1.00 2.30 H new ATOM 0 HB2 PRO A 7 3.854 10.814 0.456 1.00 14.12 H new ATOM 0 HB3 PRO A 7 4.212 12.262 -0.464 1.00 14.12 H new ATOM 0 HG2 PRO A 7 5.452 11.291 2.100 1.00 32.13 H new ATOM 0 HG3 PRO A 7 6.228 12.019 0.708 1.00 32.13 H new ATOM 0 HD2 PRO A 7 5.579 13.417 3.018 1.00 31.53 H new ATOM 0 HD3 PRO A 7 5.811 14.177 1.456 1.00 31.53 H new ATOM 96 N ARG A 8 1.698 10.715 1.939 1.00 42.31 N ATOM 97 CA ARG A 8 1.061 9.783 2.851 1.00 23.33 C ATOM 98 C ARG A 8 1.941 8.555 3.047 1.00 51.42 C ATOM 99 O ARG A 8 2.116 8.078 4.167 1.00 23.14 O ATOM 100 CB ARG A 8 -0.300 9.361 2.299 1.00 33.03 C ATOM 101 CG ARG A 8 -1.217 10.521 1.944 1.00 35.42 C ATOM 102 CD ARG A 8 -1.596 11.343 3.161 1.00 24.02 C ATOM 103 NE ARG A 8 -2.529 12.412 2.812 1.00 14.33 N ATOM 104 CZ ARG A 8 -3.334 13.015 3.684 1.00 3.21 C ATOM 105 NH1 ARG A 8 -3.312 12.677 4.968 1.00 74.12 N ATOM 106 NH2 ARG A 8 -4.169 13.956 3.267 1.00 34.15 N ATOM 0 H ARG A 8 1.557 10.505 0.951 1.00 42.31 H new ATOM 0 HA ARG A 8 0.920 10.275 3.813 1.00 23.33 H new ATOM 0 HB2 ARG A 8 -0.145 8.750 1.410 1.00 33.03 H new ATOM 0 HB3 ARG A 8 -0.799 8.731 3.036 1.00 33.03 H new ATOM 0 HG2 ARG A 8 -0.723 11.162 1.214 1.00 35.42 H new ATOM 0 HG3 ARG A 8 -2.121 10.136 1.471 1.00 35.42 H new ATOM 0 HD2 ARG A 8 -2.047 10.696 3.913 1.00 24.02 H new ATOM 0 HD3 ARG A 8 -0.698 11.772 3.606 1.00 24.02 H new ATOM 0 HE ARG A 8 -2.566 12.715 1.839 1.00 14.33 H new ATOM 0 HH11 ARG A 8 -2.675 11.950 5.293 1.00 74.12 H new ATOM 0 HH12 ARG A 8 -3.932 13.144 5.629 1.00 74.12 H new ATOM 0 HH21 ARG A 8 -4.193 14.216 2.281 1.00 34.15 H new ATOM 0 HH22 ARG A 8 -4.787 14.420 3.932 1.00 34.15 H new ATOM 117 N LYS A 9 2.502 8.079 1.933 1.00 70.14 N ATOM 118 CA LYS A 9 3.363 6.899 1.901 1.00 21.24 C ATOM 119 C LYS A 9 2.545 5.620 2.114 1.00 31.25 C ATOM 120 O LYS A 9 1.967 5.393 3.175 1.00 52.34 O ATOM 121 CB LYS A 9 4.506 7.009 2.922 1.00 31.20 C ATOM 122 CG LYS A 9 5.747 6.193 2.570 1.00 4.25 C ATOM 123 CD LYS A 9 5.510 4.696 2.704 1.00 12.02 C ATOM 124 CE LYS A 9 6.653 3.889 2.116 1.00 61.30 C ATOM 125 NZ LYS A 9 7.922 4.055 2.873 1.00 21.15 N ATOM 0 H LYS A 9 2.368 8.509 1.018 1.00 70.14 H new ATOM 0 HA LYS A 9 3.817 6.845 0.912 1.00 21.24 H new ATOM 0 HB2 LYS A 9 4.791 8.057 3.019 1.00 31.20 H new ATOM 0 HB3 LYS A 9 4.139 6.687 3.896 1.00 31.20 H new ATOM 0 HG2 LYS A 9 6.051 6.421 1.548 1.00 4.25 H new ATOM 0 HG3 LYS A 9 6.570 6.488 3.221 1.00 4.25 H new ATOM 0 HD2 LYS A 9 5.388 4.440 3.757 1.00 12.02 H new ATOM 0 HD3 LYS A 9 4.580 4.429 2.202 1.00 12.02 H new ATOM 0 HE2 LYS A 9 6.378 2.834 2.102 1.00 61.30 H new ATOM 0 HE3 LYS A 9 6.810 4.191 1.081 1.00 61.30 H new ATOM 0 HZ1 LYS A 9 8.630 3.383 2.515 1.00 21.15 H new ATOM 0 HZ2 LYS A 9 8.274 5.026 2.752 1.00 21.15 H new ATOM 0 HZ3 LYS A 9 7.751 3.872 3.882 1.00 21.15 H new ATOM 135 N LEU A 10 2.488 4.801 1.077 1.00 30.13 N ATOM 136 CA LEU A 10 1.798 3.524 1.139 1.00 42.40 C ATOM 137 C LEU A 10 2.787 2.372 1.181 1.00 33.34 C ATOM 138 O LEU A 10 3.739 2.320 0.393 1.00 63.33 O ATOM 139 CB LEU A 10 0.878 3.348 -0.069 1.00 44.55 C ATOM 140 CG LEU A 10 -0.431 4.139 -0.023 1.00 23.42 C ATOM 141 CD1 LEU A 10 -1.197 3.958 -1.323 1.00 73.12 C ATOM 142 CD2 LEU A 10 -1.278 3.689 1.159 1.00 41.04 C ATOM 0 H LEU A 10 2.916 5.001 0.173 1.00 30.13 H new ATOM 0 HA LEU A 10 1.203 3.518 2.052 1.00 42.40 H new ATOM 0 HB2 LEU A 10 1.426 3.638 -0.966 1.00 44.55 H new ATOM 0 HB3 LEU A 10 0.639 2.289 -0.170 1.00 44.55 H new ATOM 0 HG LEU A 10 -0.198 5.197 0.101 1.00 23.42 H new ATOM 0 HD11 LEU A 10 -2.127 4.525 -1.279 1.00 73.12 H new ATOM 0 HD12 LEU A 10 -0.592 4.317 -2.155 1.00 73.12 H new ATOM 0 HD13 LEU A 10 -1.423 2.902 -1.468 1.00 73.12 H new ATOM 0 HD21 LEU A 10 -2.206 4.260 1.180 1.00 41.04 H new ATOM 0 HD22 LEU A 10 -1.507 2.628 1.060 1.00 41.04 H new ATOM 0 HD23 LEU A 10 -0.728 3.857 2.085 1.00 41.04 H new ATOM 153 N VAL A 11 2.569 1.464 2.113 1.00 41.41 N ATOM 154 CA VAL A 11 3.321 0.227 2.157 1.00 3.44 C ATOM 155 C VAL A 11 2.442 -0.920 1.708 1.00 14.22 C ATOM 156 O VAL A 11 1.318 -1.075 2.178 1.00 13.10 O ATOM 157 CB VAL A 11 3.875 -0.087 3.562 1.00 75.41 C ATOM 158 CG1 VAL A 11 4.408 -1.513 3.619 1.00 44.51 C ATOM 159 CG2 VAL A 11 4.973 0.892 3.941 1.00 14.40 C ATOM 0 H VAL A 11 1.874 1.562 2.853 1.00 41.41 H new ATOM 0 HA VAL A 11 4.172 0.350 1.487 1.00 3.44 H new ATOM 0 HB VAL A 11 3.058 0.014 4.276 1.00 75.41 H new ATOM 0 HG11 VAL A 11 4.795 -1.717 4.617 1.00 44.51 H new ATOM 0 HG12 VAL A 11 3.603 -2.212 3.392 1.00 44.51 H new ATOM 0 HG13 VAL A 11 5.208 -1.632 2.889 1.00 44.51 H new ATOM 0 HG21 VAL A 11 5.348 0.651 4.936 1.00 14.40 H new ATOM 0 HG22 VAL A 11 5.787 0.823 3.219 1.00 14.40 H new ATOM 0 HG23 VAL A 11 4.573 1.906 3.940 1.00 14.40 H new ATOM 169 N VAL A 12 2.951 -1.711 0.790 1.00 11.12 N ATOM 170 CA VAL A 12 2.238 -2.870 0.310 1.00 74.20 C ATOM 171 C VAL A 12 2.903 -4.137 0.830 1.00 42.52 C ATOM 172 O VAL A 12 4.010 -4.486 0.416 1.00 12.23 O ATOM 173 CB VAL A 12 2.191 -2.922 -1.227 1.00 2.14 C ATOM 174 CG1 VAL A 12 1.364 -4.107 -1.688 1.00 40.13 C ATOM 175 CG2 VAL A 12 1.650 -1.626 -1.796 1.00 23.43 C ATOM 0 H VAL A 12 3.864 -1.569 0.359 1.00 11.12 H new ATOM 0 HA VAL A 12 1.215 -2.799 0.679 1.00 74.20 H new ATOM 0 HB VAL A 12 3.208 -3.048 -1.600 1.00 2.14 H new ATOM 0 HG11 VAL A 12 1.339 -4.132 -2.777 1.00 40.13 H new ATOM 0 HG12 VAL A 12 1.809 -5.029 -1.314 1.00 40.13 H new ATOM 0 HG13 VAL A 12 0.348 -4.013 -1.304 1.00 40.13 H new ATOM 0 HG21 VAL A 12 1.627 -1.688 -2.884 1.00 23.43 H new ATOM 0 HG22 VAL A 12 0.641 -1.457 -1.421 1.00 23.43 H new ATOM 0 HG23 VAL A 12 2.293 -0.799 -1.493 1.00 23.43 H new ATOM 185 N TYR A 13 2.245 -4.798 1.766 1.00 1.31 N ATOM 186 CA TYR A 13 2.729 -6.073 2.261 1.00 65.31 C ATOM 187 C TYR A 13 2.425 -7.151 1.231 1.00 4.00 C ATOM 188 O TYR A 13 1.264 -7.394 0.897 1.00 34.41 O ATOM 189 CB TYR A 13 2.080 -6.428 3.602 1.00 34.03 C ATOM 190 CG TYR A 13 2.392 -5.462 4.721 1.00 72.41 C ATOM 191 CD1 TYR A 13 3.663 -5.400 5.286 1.00 61.23 C ATOM 192 CD2 TYR A 13 1.409 -4.620 5.225 1.00 61.23 C ATOM 193 CE1 TYR A 13 3.939 -4.526 6.322 1.00 34.31 C ATOM 194 CE2 TYR A 13 1.680 -3.746 6.259 1.00 14.14 C ATOM 195 CZ TYR A 13 2.946 -3.700 6.802 1.00 21.43 C ATOM 196 OH TYR A 13 3.213 -2.829 7.834 1.00 14.02 O ATOM 0 H TYR A 13 1.379 -4.475 2.196 1.00 1.31 H new ATOM 0 HA TYR A 13 3.805 -6.004 2.421 1.00 65.31 H new ATOM 0 HB2 TYR A 13 0.999 -6.473 3.468 1.00 34.03 H new ATOM 0 HB3 TYR A 13 2.407 -7.425 3.897 1.00 34.03 H new ATOM 0 HD1 TYR A 13 4.445 -6.044 4.910 1.00 61.23 H new ATOM 0 HD2 TYR A 13 0.416 -4.649 4.801 1.00 61.23 H new ATOM 0 HE1 TYR A 13 4.929 -4.491 6.753 1.00 34.31 H new ATOM 0 HE2 TYR A 13 0.903 -3.101 6.641 1.00 14.14 H new ATOM 0 HH TYR A 13 2.404 -2.320 8.050 1.00 14.02 H new ATOM 205 N GLY A 14 3.465 -7.777 0.712 1.00 32.34 N ATOM 206 CA GLY A 14 3.283 -8.769 -0.322 1.00 22.50 C ATOM 207 C GLY A 14 4.228 -9.934 -0.166 1.00 60.40 C ATOM 208 O GLY A 14 4.800 -10.140 0.905 1.00 71.40 O ATOM 0 H GLY A 14 4.434 -7.616 0.988 1.00 32.34 H new ATOM 0 HA2 GLY A 14 2.255 -9.131 -0.299 1.00 22.50 H new ATOM 0 HA3 GLY A 14 3.436 -8.307 -1.297 1.00 22.50 H new ATOM 212 N ARG A 15 4.397 -10.691 -1.235 1.00 3.35 N ATOM 213 CA ARG A 15 5.282 -11.841 -1.238 1.00 2.13 C ATOM 214 C ARG A 15 5.595 -12.236 -2.674 1.00 72.14 C ATOM 215 O ARG A 15 5.176 -11.555 -3.611 1.00 31.43 O ATOM 216 CB ARG A 15 4.649 -13.014 -0.475 1.00 11.31 C ATOM 217 CG ARG A 15 3.320 -13.482 -1.042 1.00 20.12 C ATOM 218 CD ARG A 15 2.710 -14.588 -0.194 1.00 12.43 C ATOM 219 NE ARG A 15 3.588 -15.754 -0.089 1.00 31.11 N ATOM 220 CZ ARG A 15 3.351 -16.798 0.703 1.00 60.11 C ATOM 221 NH1 ARG A 15 2.241 -16.846 1.436 1.00 43.23 N ATOM 222 NH2 ARG A 15 4.215 -17.805 0.746 1.00 43.12 N ATOM 0 H ARG A 15 3.925 -10.526 -2.124 1.00 3.35 H new ATOM 0 HA ARG A 15 6.211 -11.578 -0.732 1.00 2.13 H new ATOM 0 HB2 ARG A 15 5.346 -13.852 -0.476 1.00 11.31 H new ATOM 0 HB3 ARG A 15 4.504 -12.720 0.565 1.00 11.31 H new ATOM 0 HG2 ARG A 15 2.629 -12.640 -1.095 1.00 20.12 H new ATOM 0 HG3 ARG A 15 3.464 -13.841 -2.061 1.00 20.12 H new ATOM 0 HD2 ARG A 15 2.499 -14.204 0.804 1.00 12.43 H new ATOM 0 HD3 ARG A 15 1.757 -14.891 -0.627 1.00 12.43 H new ATOM 0 HE ARG A 15 4.434 -15.768 -0.658 1.00 31.11 H new ATOM 0 HH11 ARG A 15 1.568 -16.081 1.392 1.00 43.23 H new ATOM 0 HH12 ARG A 15 2.064 -17.648 2.041 1.00 43.23 H new ATOM 0 HH21 ARG A 15 5.058 -17.778 0.173 1.00 43.12 H new ATOM 0 HH22 ARG A 15 4.035 -18.606 1.352 1.00 43.12 H new ATOM 233 N GLU A 16 6.338 -13.318 -2.841 1.00 22.32 N ATOM 234 CA GLU A 16 6.694 -13.802 -4.167 1.00 21.55 C ATOM 235 C GLU A 16 5.453 -14.283 -4.912 1.00 25.53 C ATOM 236 O GLU A 16 4.866 -15.306 -4.557 1.00 34.23 O ATOM 237 CB GLU A 16 7.703 -14.942 -4.049 1.00 42.01 C ATOM 238 CG GLU A 16 8.890 -14.606 -3.168 1.00 41.30 C ATOM 239 CD GLU A 16 9.791 -15.795 -2.932 1.00 11.11 C ATOM 240 OE1 GLU A 16 9.297 -16.826 -2.432 1.00 33.13 O ATOM 241 OE2 GLU A 16 11.000 -15.702 -3.230 1.00 14.23 O ATOM 0 H GLU A 16 6.707 -13.880 -2.074 1.00 22.32 H new ATOM 0 HA GLU A 16 7.141 -12.982 -4.729 1.00 21.55 H new ATOM 0 HB2 GLU A 16 7.200 -15.822 -3.649 1.00 42.01 H new ATOM 0 HB3 GLU A 16 8.061 -15.205 -5.044 1.00 42.01 H new ATOM 0 HG2 GLU A 16 9.466 -13.804 -3.630 1.00 41.30 H new ATOM 0 HG3 GLU A 16 8.532 -14.230 -2.210 1.00 41.30 H new ATOM 246 N GLY A 17 5.044 -13.525 -5.920 1.00 14.50 N ATOM 247 CA GLY A 17 3.894 -13.899 -6.719 1.00 1.53 C ATOM 248 C GLY A 17 2.822 -12.826 -6.712 1.00 22.23 C ATOM 249 O GLY A 17 3.140 -11.637 -6.689 1.00 73.22 O ATOM 0 H GLY A 17 5.491 -12.652 -6.200 1.00 14.50 H new ATOM 0 HA2 GLY A 17 4.211 -14.087 -7.745 1.00 1.53 H new ATOM 0 HA3 GLY A 17 3.476 -14.831 -6.338 1.00 1.53 H new ATOM 253 N CYS A 18 1.560 -13.256 -6.742 1.00 30.14 N ATOM 254 CA CYS A 18 0.407 -12.356 -6.660 1.00 63.21 C ATOM 255 C CYS A 18 0.241 -11.524 -7.934 1.00 23.40 C ATOM 256 O CYS A 18 0.863 -10.473 -8.096 1.00 0.20 O ATOM 257 CB CYS A 18 0.507 -11.441 -5.431 1.00 40.21 C ATOM 258 SG CYS A 18 0.603 -12.328 -3.858 1.00 1.50 S ATOM 0 H CYS A 18 1.307 -14.241 -6.824 1.00 30.14 H new ATOM 0 HA CYS A 18 -0.479 -12.982 -6.555 1.00 63.21 H new ATOM 0 HB2 CYS A 18 1.388 -10.808 -5.533 1.00 40.21 H new ATOM 0 HB3 CYS A 18 -0.360 -10.780 -5.411 1.00 40.21 H new ATOM 0 HG CYS A 18 0.898 -11.493 -2.906 1.00 1.50 H new ATOM 263 N HIS A 19 -0.615 -12.008 -8.830 1.00 52.02 N ATOM 264 CA HIS A 19 -0.909 -11.317 -10.084 1.00 72.31 C ATOM 265 C HIS A 19 -1.459 -9.920 -9.792 1.00 51.22 C ATOM 266 O HIS A 19 -1.112 -8.948 -10.462 1.00 63.40 O ATOM 267 CB HIS A 19 -1.931 -12.127 -10.895 1.00 45.24 C ATOM 268 CG HIS A 19 -2.048 -11.729 -12.341 1.00 51.25 C ATOM 269 ND1 HIS A 19 -1.949 -12.632 -13.378 1.00 33.41 N ATOM 270 CD2 HIS A 19 -2.286 -10.526 -12.920 1.00 62.04 C ATOM 271 CE1 HIS A 19 -2.118 -12.005 -14.524 1.00 63.14 C ATOM 272 NE2 HIS A 19 -2.325 -10.728 -14.275 1.00 5.43 N ATOM 0 H HIS A 19 -1.122 -12.885 -8.709 1.00 52.02 H new ATOM 0 HA HIS A 19 0.009 -11.220 -10.664 1.00 72.31 H new ATOM 0 HB2 HIS A 19 -1.660 -13.182 -10.844 1.00 45.24 H new ATOM 0 HB3 HIS A 19 -2.909 -12.026 -10.425 1.00 45.24 H new ATOM 0 HD2 HIS A 19 -2.420 -9.584 -12.409 1.00 62.04 H new ATOM 0 HE1 HIS A 19 -2.091 -12.461 -15.503 1.00 63.14 H new ATOM 0 HE2 HIS A 19 -2.488 -10.006 -14.977 1.00 5.43 H new ATOM 279 N LEU A 20 -2.298 -9.835 -8.765 1.00 44.03 N ATOM 280 CA LEU A 20 -2.920 -8.574 -8.372 1.00 33.34 C ATOM 281 C LEU A 20 -1.884 -7.546 -7.926 1.00 51.24 C ATOM 282 O LEU A 20 -2.090 -6.347 -8.096 1.00 25.14 O ATOM 283 CB LEU A 20 -3.949 -8.807 -7.265 1.00 73.21 C ATOM 284 CG LEU A 20 -5.239 -9.497 -7.718 1.00 0.42 C ATOM 285 CD1 LEU A 20 -6.170 -9.728 -6.538 1.00 31.41 C ATOM 286 CD2 LEU A 20 -5.932 -8.667 -8.789 1.00 73.31 C ATOM 0 H LEU A 20 -2.565 -10.631 -8.185 1.00 44.03 H new ATOM 0 HA LEU A 20 -3.427 -8.172 -9.249 1.00 33.34 H new ATOM 0 HB2 LEU A 20 -3.488 -9.409 -6.482 1.00 73.21 H new ATOM 0 HB3 LEU A 20 -4.206 -7.846 -6.819 1.00 73.21 H new ATOM 0 HG LEU A 20 -4.980 -10.468 -8.141 1.00 0.42 H new ATOM 0 HD11 LEU A 20 -7.080 -10.219 -6.883 1.00 31.41 H new ATOM 0 HD12 LEU A 20 -5.674 -10.360 -5.801 1.00 31.41 H new ATOM 0 HD13 LEU A 20 -6.425 -8.771 -6.083 1.00 31.41 H new ATOM 0 HD21 LEU A 20 -6.848 -9.169 -9.102 1.00 73.31 H new ATOM 0 HD22 LEU A 20 -6.176 -7.684 -8.386 1.00 73.31 H new ATOM 0 HD23 LEU A 20 -5.269 -8.553 -9.647 1.00 73.31 H new ATOM 297 N CYS A 21 -0.778 -8.013 -7.352 1.00 30.12 N ATOM 298 CA CYS A 21 0.276 -7.115 -6.888 1.00 2.33 C ATOM 299 C CYS A 21 0.810 -6.271 -8.045 1.00 44.51 C ATOM 300 O CYS A 21 0.985 -5.057 -7.916 1.00 20.42 O ATOM 301 CB CYS A 21 1.412 -7.917 -6.251 1.00 54.33 C ATOM 302 SG CYS A 21 2.741 -6.906 -5.562 1.00 62.20 S ATOM 0 H CYS A 21 -0.589 -9.003 -7.198 1.00 30.12 H new ATOM 0 HA CYS A 21 -0.146 -6.446 -6.138 1.00 2.33 H new ATOM 0 HB2 CYS A 21 1.000 -8.543 -5.459 1.00 54.33 H new ATOM 0 HB3 CYS A 21 1.833 -8.587 -7.001 1.00 54.33 H new ATOM 0 HG CYS A 21 3.651 -7.678 -5.046 1.00 62.20 H new ATOM 307 N GLU A 22 1.037 -6.921 -9.183 1.00 21.11 N ATOM 308 CA GLU A 22 1.502 -6.238 -10.385 1.00 54.44 C ATOM 309 C GLU A 22 0.476 -5.205 -10.836 1.00 53.54 C ATOM 310 O GLU A 22 0.823 -4.076 -11.190 1.00 52.35 O ATOM 311 CB GLU A 22 1.740 -7.252 -11.509 1.00 60.05 C ATOM 312 CG GLU A 22 2.803 -8.288 -11.185 1.00 42.52 C ATOM 313 CD GLU A 22 4.178 -7.674 -11.032 1.00 22.12 C ATOM 314 OE1 GLU A 22 4.871 -7.499 -12.058 1.00 2.31 O ATOM 315 OE2 GLU A 22 4.574 -7.364 -9.890 1.00 44.31 O ATOM 0 H GLU A 22 0.905 -7.926 -9.297 1.00 21.11 H new ATOM 0 HA GLU A 22 2.439 -5.731 -10.155 1.00 54.44 H new ATOM 0 HB2 GLU A 22 0.803 -7.763 -11.729 1.00 60.05 H new ATOM 0 HB3 GLU A 22 2.031 -6.717 -12.413 1.00 60.05 H new ATOM 0 HG2 GLU A 22 2.534 -8.805 -10.264 1.00 42.52 H new ATOM 0 HG3 GLU A 22 2.829 -9.038 -11.976 1.00 42.52 H new ATOM 320 N GLU A 23 -0.790 -5.601 -10.794 1.00 15.02 N ATOM 321 CA GLU A 23 -1.885 -4.740 -11.214 1.00 31.25 C ATOM 322 C GLU A 23 -2.018 -3.539 -10.284 1.00 22.03 C ATOM 323 O GLU A 23 -2.278 -2.422 -10.731 1.00 51.44 O ATOM 324 CB GLU A 23 -3.189 -5.537 -11.248 1.00 32.21 C ATOM 325 CG GLU A 23 -3.113 -6.750 -12.164 1.00 63.21 C ATOM 326 CD GLU A 23 -4.404 -7.540 -12.233 1.00 75.21 C ATOM 327 OE1 GLU A 23 -5.300 -7.164 -13.018 1.00 73.20 O ATOM 328 OE2 GLU A 23 -4.517 -8.555 -11.521 1.00 71.22 O ATOM 0 H GLU A 23 -1.084 -6.522 -10.470 1.00 15.02 H new ATOM 0 HA GLU A 23 -1.671 -4.368 -12.216 1.00 31.25 H new ATOM 0 HB2 GLU A 23 -3.436 -5.865 -10.238 1.00 32.21 H new ATOM 0 HB3 GLU A 23 -3.999 -4.887 -11.579 1.00 32.21 H new ATOM 0 HG2 GLU A 23 -2.844 -6.421 -13.168 1.00 63.21 H new ATOM 0 HG3 GLU A 23 -2.314 -7.406 -11.819 1.00 63.21 H new ATOM 333 N MET A 24 -1.833 -3.780 -8.991 1.00 34.20 N ATOM 334 CA MET A 24 -1.848 -2.710 -7.997 1.00 32.34 C ATOM 335 C MET A 24 -0.745 -1.699 -8.264 1.00 34.31 C ATOM 336 O MET A 24 -0.999 -0.497 -8.312 1.00 30.52 O ATOM 337 CB MET A 24 -1.687 -3.262 -6.584 1.00 11.14 C ATOM 338 CG MET A 24 -2.981 -3.769 -5.990 1.00 13.34 C ATOM 339 SD MET A 24 -2.853 -4.054 -4.220 1.00 51.24 S ATOM 340 CE MET A 24 -4.527 -3.658 -3.742 1.00 35.41 C ATOM 0 H MET A 24 -1.670 -4.710 -8.604 1.00 34.20 H new ATOM 0 HA MET A 24 -2.816 -2.216 -8.078 1.00 32.34 H new ATOM 0 HB2 MET A 24 -0.959 -4.074 -6.599 1.00 11.14 H new ATOM 0 HB3 MET A 24 -1.281 -2.482 -5.940 1.00 11.14 H new ATOM 0 HG2 MET A 24 -3.774 -3.047 -6.183 1.00 13.34 H new ATOM 0 HG3 MET A 24 -3.267 -4.697 -6.486 1.00 13.34 H new ATOM 0 HE1 MET A 24 -4.755 -4.133 -2.788 1.00 35.41 H new ATOM 0 HE2 MET A 24 -4.631 -2.577 -3.644 1.00 35.41 H new ATOM 0 HE3 MET A 24 -5.218 -4.022 -4.502 1.00 35.41 H new ATOM 348 N ILE A 25 0.476 -2.191 -8.442 1.00 12.12 N ATOM 349 CA ILE A 25 1.627 -1.327 -8.680 1.00 45.52 C ATOM 350 C ILE A 25 1.409 -0.442 -9.906 1.00 44.23 C ATOM 351 O ILE A 25 1.631 0.769 -9.851 1.00 62.45 O ATOM 352 CB ILE A 25 2.927 -2.148 -8.837 1.00 44.34 C ATOM 353 CG1 ILE A 25 3.255 -2.854 -7.517 1.00 42.14 C ATOM 354 CG2 ILE A 25 4.081 -1.252 -9.268 1.00 35.32 C ATOM 355 CD1 ILE A 25 4.492 -3.724 -7.570 1.00 64.32 C ATOM 0 H ILE A 25 0.695 -3.187 -8.426 1.00 12.12 H new ATOM 0 HA ILE A 25 1.734 -0.685 -7.806 1.00 45.52 H new ATOM 0 HB ILE A 25 2.778 -2.899 -9.613 1.00 44.34 H new ATOM 0 HG12 ILE A 25 3.386 -2.102 -6.739 1.00 42.14 H new ATOM 0 HG13 ILE A 25 2.404 -3.469 -7.226 1.00 42.14 H new ATOM 0 HG21 ILE A 25 4.986 -1.850 -9.373 1.00 35.32 H new ATOM 0 HG22 ILE A 25 3.842 -0.785 -10.224 1.00 35.32 H new ATOM 0 HG23 ILE A 25 4.242 -0.479 -8.517 1.00 35.32 H new ATOM 0 HD11 ILE A 25 4.653 -4.187 -6.596 1.00 64.32 H new ATOM 0 HD12 ILE A 25 4.359 -4.500 -8.323 1.00 64.32 H new ATOM 0 HD13 ILE A 25 5.356 -3.112 -7.829 1.00 64.32 H new ATOM 366 N ALA A 26 0.940 -1.039 -10.996 1.00 63.25 N ATOM 367 CA ALA A 26 0.672 -0.295 -12.223 1.00 50.13 C ATOM 368 C ALA A 26 -0.416 0.754 -12.005 1.00 15.21 C ATOM 369 O ALA A 26 -0.398 1.821 -12.619 1.00 70.15 O ATOM 370 CB ALA A 26 0.275 -1.243 -13.343 1.00 55.30 C ATOM 0 H ALA A 26 0.737 -2.037 -11.056 1.00 63.25 H new ATOM 0 HA ALA A 26 1.588 0.222 -12.509 1.00 50.13 H new ATOM 0 HB1 ALA A 26 0.079 -0.672 -14.251 1.00 55.30 H new ATOM 0 HB2 ALA A 26 1.085 -1.949 -13.526 1.00 55.30 H new ATOM 0 HB3 ALA A 26 -0.624 -1.789 -13.056 1.00 55.30 H new ATOM 376 N SER A 27 -1.353 0.437 -11.125 1.00 54.44 N ATOM 377 CA SER A 27 -2.433 1.349 -10.778 1.00 52.40 C ATOM 378 C SER A 27 -1.916 2.504 -9.916 1.00 21.01 C ATOM 379 O SER A 27 -2.226 3.669 -10.167 1.00 34.01 O ATOM 380 CB SER A 27 -3.534 0.580 -10.039 1.00 11.53 C ATOM 381 OG SER A 27 -4.101 -0.420 -10.871 1.00 41.05 O ATOM 0 H SER A 27 -1.387 -0.456 -10.633 1.00 54.44 H new ATOM 0 HA SER A 27 -2.843 1.774 -11.694 1.00 52.40 H new ATOM 0 HB2 SER A 27 -3.122 0.120 -9.141 1.00 11.53 H new ATOM 0 HB3 SER A 27 -4.311 1.272 -9.715 1.00 11.53 H new ATOM 0 HG SER A 27 -3.579 -1.246 -10.793 1.00 41.05 H new ATOM 386 N LEU A 28 -1.105 2.167 -8.919 1.00 60.53 N ATOM 387 CA LEU A 28 -0.577 3.154 -7.984 1.00 34.44 C ATOM 388 C LEU A 28 0.373 4.124 -8.682 1.00 15.10 C ATOM 389 O LEU A 28 0.447 5.297 -8.317 1.00 24.34 O ATOM 390 CB LEU A 28 0.131 2.454 -6.822 1.00 45.02 C ATOM 391 CG LEU A 28 -0.768 1.555 -5.969 1.00 54.53 C ATOM 392 CD1 LEU A 28 0.044 0.836 -4.908 1.00 64.13 C ATOM 393 CD2 LEU A 28 -1.881 2.366 -5.325 1.00 50.44 C ATOM 0 H LEU A 28 -0.797 1.212 -8.737 1.00 60.53 H new ATOM 0 HA LEU A 28 -1.414 3.732 -7.592 1.00 34.44 H new ATOM 0 HB2 LEU A 28 0.947 1.853 -7.222 1.00 45.02 H new ATOM 0 HB3 LEU A 28 0.579 3.212 -6.179 1.00 45.02 H new ATOM 0 HG LEU A 28 -1.219 0.808 -6.622 1.00 54.53 H new ATOM 0 HD11 LEU A 28 -0.614 0.203 -4.313 1.00 64.13 H new ATOM 0 HD12 LEU A 28 0.805 0.220 -5.387 1.00 64.13 H new ATOM 0 HD13 LEU A 28 0.526 1.568 -4.260 1.00 64.13 H new ATOM 0 HD21 LEU A 28 -2.509 1.709 -4.723 1.00 50.44 H new ATOM 0 HD22 LEU A 28 -1.448 3.137 -4.688 1.00 50.44 H new ATOM 0 HD23 LEU A 28 -2.486 2.834 -6.101 1.00 50.44 H new ATOM 404 N ARG A 29 1.086 3.633 -9.694 1.00 65.22 N ATOM 405 CA ARG A 29 1.977 4.478 -10.490 1.00 34.15 C ATOM 406 C ARG A 29 1.217 5.648 -11.097 1.00 23.01 C ATOM 407 O ARG A 29 1.694 6.779 -11.097 1.00 14.22 O ATOM 408 CB ARG A 29 2.637 3.667 -11.606 1.00 70.23 C ATOM 409 CG ARG A 29 3.718 2.718 -11.124 1.00 61.01 C ATOM 410 CD ARG A 29 4.937 3.467 -10.610 1.00 13.53 C ATOM 411 NE ARG A 29 5.546 4.303 -11.647 1.00 41.14 N ATOM 412 CZ ARG A 29 6.857 4.483 -11.788 1.00 1.40 C ATOM 413 NH1 ARG A 29 7.706 3.889 -10.956 1.00 63.10 N ATOM 414 NH2 ARG A 29 7.312 5.260 -12.764 1.00 70.53 N ATOM 0 H ARG A 29 1.065 2.655 -9.983 1.00 65.22 H new ATOM 0 HA ARG A 29 2.748 4.864 -9.824 1.00 34.15 H new ATOM 0 HB2 ARG A 29 1.870 3.093 -12.126 1.00 70.23 H new ATOM 0 HB3 ARG A 29 3.069 4.354 -12.333 1.00 70.23 H new ATOM 0 HG2 ARG A 29 3.319 2.085 -10.331 1.00 61.01 H new ATOM 0 HG3 ARG A 29 4.014 2.059 -11.940 1.00 61.01 H new ATOM 0 HD2 ARG A 29 4.649 4.091 -9.764 1.00 13.53 H new ATOM 0 HD3 ARG A 29 5.673 2.752 -10.242 1.00 13.53 H new ATOM 0 HE ARG A 29 4.926 4.778 -12.303 1.00 41.14 H new ATOM 0 HH11 ARG A 29 7.353 3.293 -10.207 1.00 63.10 H new ATOM 0 HH12 ARG A 29 8.710 4.029 -11.066 1.00 63.10 H new ATOM 0 HH21 ARG A 29 6.658 5.715 -13.401 1.00 70.53 H new ATOM 0 HH22 ARG A 29 8.316 5.402 -12.877 1.00 70.53 H new ATOM 425 N VAL A 30 0.029 5.365 -11.602 1.00 43.30 N ATOM 426 CA VAL A 30 -0.791 6.379 -12.243 1.00 53.34 C ATOM 427 C VAL A 30 -1.266 7.420 -11.230 1.00 11.21 C ATOM 428 O VAL A 30 -1.265 8.616 -11.516 1.00 52.30 O ATOM 429 CB VAL A 30 -1.999 5.748 -12.960 1.00 62.55 C ATOM 430 CG1 VAL A 30 -2.855 6.811 -13.633 1.00 41.45 C ATOM 431 CG2 VAL A 30 -1.528 4.719 -13.975 1.00 31.34 C ATOM 0 H VAL A 30 -0.391 4.436 -11.580 1.00 43.30 H new ATOM 0 HA VAL A 30 -0.171 6.877 -12.988 1.00 53.34 H new ATOM 0 HB VAL A 30 -2.615 5.248 -12.213 1.00 62.55 H new ATOM 0 HG11 VAL A 30 -3.700 6.336 -14.131 1.00 41.45 H new ATOM 0 HG12 VAL A 30 -3.223 7.511 -12.883 1.00 41.45 H new ATOM 0 HG13 VAL A 30 -2.256 7.349 -14.368 1.00 41.45 H new ATOM 0 HG21 VAL A 30 -2.391 4.280 -14.475 1.00 31.34 H new ATOM 0 HG22 VAL A 30 -0.888 5.202 -14.713 1.00 31.34 H new ATOM 0 HG23 VAL A 30 -0.967 3.936 -13.465 1.00 31.34 H new ATOM 441 N LEU A 31 -1.647 6.967 -10.039 1.00 15.30 N ATOM 442 CA LEU A 31 -2.099 7.882 -8.996 1.00 42.03 C ATOM 443 C LEU A 31 -0.950 8.718 -8.452 1.00 74.51 C ATOM 444 O LEU A 31 -1.144 9.878 -8.086 1.00 71.30 O ATOM 445 CB LEU A 31 -2.778 7.133 -7.852 1.00 74.24 C ATOM 446 CG LEU A 31 -4.304 7.101 -7.905 1.00 54.51 C ATOM 447 CD1 LEU A 31 -4.863 6.449 -6.651 1.00 40.31 C ATOM 448 CD2 LEU A 31 -4.862 8.510 -8.067 1.00 61.44 C ATOM 0 H LEU A 31 -1.652 5.982 -9.774 1.00 15.30 H new ATOM 0 HA LEU A 31 -2.827 8.549 -9.457 1.00 42.03 H new ATOM 0 HB2 LEU A 31 -2.410 6.107 -7.843 1.00 74.24 H new ATOM 0 HB3 LEU A 31 -2.473 7.589 -6.910 1.00 74.24 H new ATOM 0 HG LEU A 31 -4.608 6.509 -8.768 1.00 54.51 H new ATOM 0 HD11 LEU A 31 -5.952 6.434 -6.703 1.00 40.31 H new ATOM 0 HD12 LEU A 31 -4.489 5.428 -6.574 1.00 40.31 H new ATOM 0 HD13 LEU A 31 -4.550 7.017 -5.775 1.00 40.31 H new ATOM 0 HD21 LEU A 31 -5.951 8.468 -8.103 1.00 61.44 H new ATOM 0 HD22 LEU A 31 -4.550 9.124 -7.222 1.00 61.44 H new ATOM 0 HD23 LEU A 31 -4.485 8.947 -8.992 1.00 61.44 H new ATOM 459 N GLN A 32 0.244 8.132 -8.408 1.00 11.21 N ATOM 460 CA GLN A 32 1.442 8.842 -7.954 1.00 65.41 C ATOM 461 C GLN A 32 1.712 10.080 -8.809 1.00 34.31 C ATOM 462 O GLN A 32 2.402 11.004 -8.381 1.00 71.13 O ATOM 463 CB GLN A 32 2.660 7.912 -7.984 1.00 52.35 C ATOM 464 CG GLN A 32 2.884 7.145 -6.689 1.00 33.50 C ATOM 465 CD GLN A 32 4.034 6.154 -6.790 1.00 75.44 C ATOM 466 OE1 GLN A 32 4.949 6.325 -7.594 1.00 34.21 O ATOM 467 NE2 GLN A 32 4.022 5.134 -5.947 1.00 30.41 N ATOM 0 H GLN A 32 0.410 7.164 -8.682 1.00 11.21 H new ATOM 0 HA GLN A 32 1.265 9.167 -6.929 1.00 65.41 H new ATOM 0 HB2 GLN A 32 2.541 7.200 -8.800 1.00 52.35 H new ATOM 0 HB3 GLN A 32 3.550 8.502 -8.204 1.00 52.35 H new ATOM 0 HG2 GLN A 32 3.086 7.850 -5.883 1.00 33.50 H new ATOM 0 HG3 GLN A 32 1.971 6.612 -6.424 1.00 33.50 H new ATOM 0 HE21 GLN A 32 3.247 5.022 -5.293 1.00 30.41 H new ATOM 0 HE22 GLN A 32 4.787 4.460 -5.951 1.00 30.41 H new ATOM 474 N LYS A 33 1.158 10.093 -10.016 1.00 53.05 N ATOM 475 CA LYS A 33 1.339 11.211 -10.929 1.00 61.43 C ATOM 476 C LYS A 33 0.446 12.394 -10.556 1.00 20.13 C ATOM 477 O LYS A 33 0.654 13.512 -11.025 1.00 64.23 O ATOM 478 CB LYS A 33 1.071 10.765 -12.358 1.00 32.02 C ATOM 479 CG LYS A 33 1.970 9.622 -12.790 1.00 14.21 C ATOM 480 CD LYS A 33 1.942 9.431 -14.292 1.00 70.54 C ATOM 481 CE LYS A 33 0.558 9.049 -14.794 1.00 51.42 C ATOM 482 NZ LYS A 33 0.553 8.804 -16.261 1.00 20.52 N ATOM 0 H LYS A 33 0.578 9.339 -10.384 1.00 53.05 H new ATOM 0 HA LYS A 33 2.373 11.547 -10.850 1.00 61.43 H new ATOM 0 HB2 LYS A 33 0.029 10.458 -12.450 1.00 32.02 H new ATOM 0 HB3 LYS A 33 1.214 11.610 -13.032 1.00 32.02 H new ATOM 0 HG2 LYS A 33 2.992 9.819 -12.466 1.00 14.21 H new ATOM 0 HG3 LYS A 33 1.652 8.702 -12.299 1.00 14.21 H new ATOM 0 HD2 LYS A 33 2.263 10.351 -14.780 1.00 70.54 H new ATOM 0 HD3 LYS A 33 2.655 8.656 -14.572 1.00 70.54 H new ATOM 0 HE2 LYS A 33 0.217 8.154 -14.274 1.00 51.42 H new ATOM 0 HE3 LYS A 33 -0.148 9.844 -14.556 1.00 51.42 H new ATOM 0 HZ1 LYS A 33 -0.407 8.546 -16.567 1.00 20.52 H new ATOM 0 HZ2 LYS A 33 0.855 9.666 -16.758 1.00 20.52 H new ATOM 0 HZ3 LYS A 33 1.208 8.028 -16.486 1.00 20.52 H new ATOM 492 N LYS A 34 -0.548 12.143 -9.714 1.00 51.02 N ATOM 493 CA LYS A 34 -1.404 13.210 -9.208 1.00 21.34 C ATOM 494 C LYS A 34 -1.069 13.479 -7.750 1.00 32.43 C ATOM 495 O LYS A 34 -0.961 14.628 -7.314 1.00 73.44 O ATOM 496 CB LYS A 34 -2.895 12.848 -9.311 1.00 72.03 C ATOM 497 CG LYS A 34 -3.387 12.545 -10.717 1.00 62.22 C ATOM 498 CD LYS A 34 -3.158 11.089 -11.089 1.00 44.43 C ATOM 499 CE LYS A 34 -3.805 10.746 -12.421 1.00 71.15 C ATOM 500 NZ LYS A 34 -5.274 10.957 -12.390 1.00 4.12 N ATOM 0 H LYS A 34 -0.782 11.213 -9.367 1.00 51.02 H new ATOM 0 HA LYS A 34 -1.222 14.094 -9.819 1.00 21.34 H new ATOM 0 HB2 LYS A 34 -3.087 11.980 -8.680 1.00 72.03 H new ATOM 0 HB3 LYS A 34 -3.482 13.672 -8.907 1.00 72.03 H new ATOM 0 HG2 LYS A 34 -4.450 12.777 -10.789 1.00 62.22 H new ATOM 0 HG3 LYS A 34 -2.872 13.189 -11.430 1.00 62.22 H new ATOM 0 HD2 LYS A 34 -2.088 10.890 -11.141 1.00 44.43 H new ATOM 0 HD3 LYS A 34 -3.564 10.445 -10.309 1.00 44.43 H new ATOM 0 HE2 LYS A 34 -3.366 11.360 -13.207 1.00 71.15 H new ATOM 0 HE3 LYS A 34 -3.592 9.707 -12.672 1.00 71.15 H new ATOM 0 HZ1 LYS A 34 -5.719 10.414 -13.157 1.00 4.12 H new ATOM 0 HZ2 LYS A 34 -5.651 10.637 -11.475 1.00 4.12 H new ATOM 0 HZ3 LYS A 34 -5.482 11.968 -12.516 1.00 4.12 H new ATOM 510 N SER A 35 -0.905 12.404 -7.003 1.00 71.43 N ATOM 511 CA SER A 35 -0.651 12.482 -5.581 1.00 34.53 C ATOM 512 C SER A 35 0.412 11.465 -5.187 1.00 5.33 C ATOM 513 O SER A 35 0.171 10.259 -5.215 1.00 2.14 O ATOM 514 CB SER A 35 -1.951 12.235 -4.811 1.00 52.12 C ATOM 515 OG SER A 35 -2.945 13.176 -5.189 1.00 71.42 O ATOM 0 H SER A 35 -0.945 11.452 -7.367 1.00 71.43 H new ATOM 0 HA SER A 35 -0.283 13.477 -5.332 1.00 34.53 H new ATOM 0 HB2 SER A 35 -2.308 11.224 -5.005 1.00 52.12 H new ATOM 0 HB3 SER A 35 -1.764 12.307 -3.740 1.00 52.12 H new ATOM 0 HG SER A 35 -3.769 13.001 -4.688 1.00 71.42 H new ATOM 520 N TRP A 36 1.594 11.954 -4.850 1.00 24.12 N ATOM 521 CA TRP A 36 2.700 11.079 -4.502 1.00 10.31 C ATOM 522 C TRP A 36 2.487 10.450 -3.129 1.00 20.31 C ATOM 523 O TRP A 36 2.262 11.146 -2.139 1.00 74.33 O ATOM 524 CB TRP A 36 4.026 11.844 -4.529 1.00 62.10 C ATOM 525 CG TRP A 36 5.215 10.953 -4.342 1.00 53.11 C ATOM 526 CD1 TRP A 36 5.886 10.703 -3.179 1.00 21.04 C ATOM 527 CD2 TRP A 36 5.869 10.188 -5.357 1.00 22.34 C ATOM 528 NE1 TRP A 36 6.912 9.822 -3.414 1.00 45.41 N ATOM 529 CE2 TRP A 36 6.920 9.492 -4.739 1.00 13.24 C ATOM 530 CE3 TRP A 36 5.661 10.017 -6.729 1.00 44.34 C ATOM 531 CZ2 TRP A 36 7.769 8.645 -5.445 1.00 3.51 C ATOM 532 CZ3 TRP A 36 6.505 9.177 -7.431 1.00 22.31 C ATOM 533 CH2 TRP A 36 7.544 8.496 -6.786 1.00 1.21 C ATOM 0 H TRP A 36 1.812 12.950 -4.810 1.00 24.12 H new ATOM 0 HA TRP A 36 2.740 10.282 -5.245 1.00 10.31 H new ATOM 0 HB2 TRP A 36 4.118 12.369 -5.480 1.00 62.10 H new ATOM 0 HB3 TRP A 36 4.019 12.602 -3.745 1.00 62.10 H new ATOM 0 HD1 TRP A 36 5.645 11.134 -2.218 1.00 21.04 H new ATOM 0 HE1 TRP A 36 7.563 9.471 -2.712 1.00 45.41 H new ATOM 0 HE3 TRP A 36 4.855 10.532 -7.231 1.00 44.34 H new ATOM 0 HZ2 TRP A 36 8.576 8.124 -4.952 1.00 3.51 H new ATOM 0 HZ3 TRP A 36 6.361 9.044 -8.493 1.00 22.31 H new ATOM 0 HH2 TRP A 36 8.181 7.839 -7.359 1.00 1.21 H new ATOM 543 N PHE A 37 2.558 9.130 -3.078 1.00 63.20 N ATOM 544 CA PHE A 37 2.417 8.407 -1.822 1.00 21.21 C ATOM 545 C PHE A 37 3.459 7.307 -1.696 1.00 31.53 C ATOM 546 O PHE A 37 3.301 6.401 -0.886 1.00 2.54 O ATOM 547 CB PHE A 37 1.009 7.810 -1.687 1.00 41.34 C ATOM 548 CG PHE A 37 0.496 7.124 -2.926 1.00 72.53 C ATOM 549 CD1 PHE A 37 1.039 5.926 -3.374 1.00 1.01 C ATOM 550 CD2 PHE A 37 -0.552 7.681 -3.634 1.00 4.21 C ATOM 551 CE1 PHE A 37 0.544 5.309 -4.504 1.00 32.34 C ATOM 552 CE2 PHE A 37 -1.048 7.070 -4.763 1.00 2.04 C ATOM 553 CZ PHE A 37 -0.501 5.881 -5.199 1.00 11.32 C ATOM 0 H PHE A 37 2.713 8.535 -3.892 1.00 63.20 H new ATOM 0 HA PHE A 37 2.574 9.124 -1.016 1.00 21.21 H new ATOM 0 HB2 PHE A 37 1.010 7.094 -0.865 1.00 41.34 H new ATOM 0 HB3 PHE A 37 0.316 8.606 -1.415 1.00 41.34 H new ATOM 0 HD1 PHE A 37 1.856 5.474 -2.832 1.00 1.01 H new ATOM 0 HD2 PHE A 37 -0.988 8.609 -3.296 1.00 4.21 H new ATOM 0 HE1 PHE A 37 0.974 4.379 -4.844 1.00 32.34 H new ATOM 0 HE2 PHE A 37 -1.865 7.521 -5.307 1.00 2.04 H new ATOM 0 HZ PHE A 37 -0.891 5.399 -6.083 1.00 11.32 H new ATOM 562 N GLU A 38 4.529 7.397 -2.482 1.00 44.32 N ATOM 563 CA GLU A 38 5.590 6.393 -2.451 1.00 22.30 C ATOM 564 C GLU A 38 5.054 5.009 -2.805 1.00 12.03 C ATOM 565 O GLU A 38 3.860 4.821 -3.036 1.00 32.21 O ATOM 566 CB GLU A 38 6.253 6.351 -1.067 1.00 52.21 C ATOM 567 CG GLU A 38 7.099 7.567 -0.757 1.00 32.43 C ATOM 568 CD GLU A 38 8.474 7.493 -1.382 1.00 41.32 C ATOM 569 OE1 GLU A 38 9.221 6.546 -1.065 1.00 33.00 O ATOM 570 OE2 GLU A 38 8.822 8.394 -2.173 1.00 54.02 O ATOM 0 H GLU A 38 4.685 8.154 -3.148 1.00 44.32 H new ATOM 0 HA GLU A 38 6.333 6.677 -3.197 1.00 22.30 H new ATOM 0 HB2 GLU A 38 5.478 6.256 -0.306 1.00 52.21 H new ATOM 0 HB3 GLU A 38 6.877 5.460 -1.000 1.00 52.21 H new ATOM 0 HG2 GLU A 38 6.589 8.461 -1.115 1.00 32.43 H new ATOM 0 HG3 GLU A 38 7.200 7.669 0.324 1.00 32.43 H new ATOM 575 N LEU A 39 5.949 4.051 -2.899 1.00 42.00 N ATOM 576 CA LEU A 39 5.548 2.670 -3.092 1.00 64.33 C ATOM 577 C LEU A 39 6.578 1.723 -2.488 1.00 4.22 C ATOM 578 O LEU A 39 7.693 1.593 -2.996 1.00 55.32 O ATOM 579 CB LEU A 39 5.332 2.384 -4.578 1.00 41.24 C ATOM 580 CG LEU A 39 4.627 1.065 -4.899 1.00 74.12 C ATOM 581 CD1 LEU A 39 3.501 0.800 -3.909 1.00 31.11 C ATOM 582 CD2 LEU A 39 4.069 1.113 -6.308 1.00 71.41 C ATOM 0 H LEU A 39 6.957 4.199 -2.846 1.00 42.00 H new ATOM 0 HA LEU A 39 4.603 2.503 -2.576 1.00 64.33 H new ATOM 0 HB2 LEU A 39 4.750 3.200 -5.006 1.00 41.24 H new ATOM 0 HB3 LEU A 39 6.302 2.388 -5.076 1.00 41.24 H new ATOM 0 HG LEU A 39 5.354 0.256 -4.821 1.00 74.12 H new ATOM 0 HD11 LEU A 39 3.014 -0.143 -4.156 1.00 31.11 H new ATOM 0 HD12 LEU A 39 3.909 0.744 -2.900 1.00 31.11 H new ATOM 0 HD13 LEU A 39 2.773 1.609 -3.961 1.00 31.11 H new ATOM 0 HD21 LEU A 39 3.568 0.172 -6.533 1.00 71.41 H new ATOM 0 HD22 LEU A 39 3.355 1.933 -6.389 1.00 71.41 H new ATOM 0 HD23 LEU A 39 4.883 1.269 -7.016 1.00 71.41 H new ATOM 593 N GLU A 40 6.199 1.070 -1.400 1.00 14.53 N ATOM 594 CA GLU A 40 7.098 0.161 -0.708 1.00 12.44 C ATOM 595 C GLU A 40 6.489 -1.228 -0.658 1.00 52.40 C ATOM 596 O GLU A 40 5.426 -1.424 -0.077 1.00 11.32 O ATOM 597 CB GLU A 40 7.364 0.682 0.704 1.00 54.24 C ATOM 598 CG GLU A 40 8.485 -0.026 1.444 1.00 15.53 C ATOM 599 CD GLU A 40 8.946 0.768 2.646 1.00 54.10 C ATOM 600 OE1 GLU A 40 9.424 1.907 2.458 1.00 5.52 O ATOM 601 OE2 GLU A 40 8.812 0.280 3.787 1.00 2.41 O ATOM 0 H GLU A 40 5.274 1.153 -0.978 1.00 14.53 H new ATOM 0 HA GLU A 40 8.044 0.104 -1.246 1.00 12.44 H new ATOM 0 HB2 GLU A 40 7.601 1.744 0.645 1.00 54.24 H new ATOM 0 HB3 GLU A 40 6.448 0.591 1.288 1.00 54.24 H new ATOM 0 HG2 GLU A 40 8.145 -1.010 1.766 1.00 15.53 H new ATOM 0 HG3 GLU A 40 9.325 -0.185 0.768 1.00 15.53 H new ATOM 606 N VAL A 41 7.158 -2.184 -1.275 1.00 23.54 N ATOM 607 CA VAL A 41 6.674 -3.556 -1.303 1.00 13.40 C ATOM 608 C VAL A 41 7.546 -4.427 -0.413 1.00 22.31 C ATOM 609 O VAL A 41 8.732 -4.610 -0.681 1.00 62.02 O ATOM 610 CB VAL A 41 6.664 -4.136 -2.735 1.00 32.43 C ATOM 611 CG1 VAL A 41 6.104 -5.552 -2.740 1.00 75.45 C ATOM 612 CG2 VAL A 41 5.866 -3.241 -3.672 1.00 51.12 C ATOM 0 H VAL A 41 8.040 -2.037 -1.765 1.00 23.54 H new ATOM 0 HA VAL A 41 5.648 -3.550 -0.936 1.00 13.40 H new ATOM 0 HB VAL A 41 7.693 -4.175 -3.093 1.00 32.43 H new ATOM 0 HG11 VAL A 41 6.106 -5.941 -3.758 1.00 75.45 H new ATOM 0 HG12 VAL A 41 6.721 -6.190 -2.107 1.00 75.45 H new ATOM 0 HG13 VAL A 41 5.083 -5.541 -2.358 1.00 75.45 H new ATOM 0 HG21 VAL A 41 5.872 -3.668 -4.675 1.00 51.12 H new ATOM 0 HG22 VAL A 41 4.839 -3.165 -3.316 1.00 51.12 H new ATOM 0 HG23 VAL A 41 6.315 -2.248 -3.697 1.00 51.12 H new ATOM 622 N ILE A 42 6.956 -4.956 0.647 1.00 71.51 N ATOM 623 CA ILE A 42 7.709 -5.715 1.633 1.00 72.22 C ATOM 624 C ILE A 42 7.274 -7.176 1.649 1.00 32.04 C ATOM 625 O ILE A 42 6.097 -7.481 1.847 1.00 61.55 O ATOM 626 CB ILE A 42 7.549 -5.099 3.036 1.00 22.35 C ATOM 627 CG1 ILE A 42 8.006 -3.637 3.003 1.00 1.22 C ATOM 628 CG2 ILE A 42 8.341 -5.893 4.072 1.00 22.02 C ATOM 629 CD1 ILE A 42 7.814 -2.903 4.304 1.00 23.42 C ATOM 0 H ILE A 42 5.959 -4.874 0.847 1.00 71.51 H new ATOM 0 HA ILE A 42 8.761 -5.672 1.351 1.00 72.22 H new ATOM 0 HB ILE A 42 6.499 -5.138 3.325 1.00 22.35 H new ATOM 0 HG12 ILE A 42 9.061 -3.603 2.732 1.00 1.22 H new ATOM 0 HG13 ILE A 42 7.458 -3.114 2.219 1.00 1.22 H new ATOM 0 HG21 ILE A 42 8.212 -5.439 5.055 1.00 22.02 H new ATOM 0 HG22 ILE A 42 7.979 -6.921 4.097 1.00 22.02 H new ATOM 0 HG23 ILE A 42 9.398 -5.887 3.805 1.00 22.02 H new ATOM 0 HD11 ILE A 42 8.162 -1.876 4.197 1.00 23.42 H new ATOM 0 HD12 ILE A 42 6.757 -2.902 4.569 1.00 23.42 H new ATOM 0 HD13 ILE A 42 8.384 -3.399 5.089 1.00 23.42 H new ATOM 640 N ASN A 43 8.233 -8.068 1.417 1.00 15.02 N ATOM 641 CA ASN A 43 7.983 -9.505 1.437 1.00 50.34 C ATOM 642 C ASN A 43 7.670 -9.992 2.846 1.00 53.52 C ATOM 643 O ASN A 43 8.539 -10.001 3.721 1.00 22.35 O ATOM 644 CB ASN A 43 9.196 -10.270 0.893 1.00 54.43 C ATOM 645 CG ASN A 43 9.309 -10.204 -0.616 1.00 2.22 C ATOM 646 OD1 ASN A 43 9.904 -9.279 -1.171 1.00 70.44 O ATOM 647 ND2 ASN A 43 8.768 -11.204 -1.291 1.00 21.13 N ATOM 0 H ASN A 43 9.200 -7.817 1.211 1.00 15.02 H new ATOM 0 HA ASN A 43 7.118 -9.695 0.801 1.00 50.34 H new ATOM 0 HB2 ASN A 43 10.104 -9.864 1.338 1.00 54.43 H new ATOM 0 HB3 ASN A 43 9.129 -11.313 1.202 1.00 54.43 H new ATOM 0 HD21 ASN A 43 8.835 -11.228 -2.308 1.00 21.13 H new ATOM 0 HD22 ASN A 43 8.283 -11.951 -0.794 1.00 21.13 H new ATOM 653 N ILE A 44 6.428 -10.399 3.067 1.00 10.54 N ATOM 654 CA ILE A 44 6.044 -10.950 4.355 1.00 44.01 C ATOM 655 C ILE A 44 6.460 -12.411 4.437 1.00 15.21 C ATOM 656 O ILE A 44 6.628 -12.955 5.523 1.00 73.15 O ATOM 657 CB ILE A 44 4.527 -10.845 4.625 1.00 20.43 C ATOM 658 CG1 ILE A 44 3.745 -11.785 3.706 1.00 24.42 C ATOM 659 CG2 ILE A 44 4.056 -9.409 4.446 1.00 42.00 C ATOM 660 CD1 ILE A 44 2.340 -12.061 4.186 1.00 64.42 C ATOM 0 H ILE A 44 5.677 -10.358 2.378 1.00 10.54 H new ATOM 0 HA ILE A 44 6.556 -10.358 5.114 1.00 44.01 H new ATOM 0 HB ILE A 44 4.341 -11.146 5.656 1.00 20.43 H new ATOM 0 HG12 ILE A 44 3.701 -11.351 2.707 1.00 24.42 H new ATOM 0 HG13 ILE A 44 4.284 -12.729 3.620 1.00 24.42 H new ATOM 0 HG21 ILE A 44 2.985 -9.351 4.640 1.00 42.00 H new ATOM 0 HG22 ILE A 44 4.587 -8.762 5.145 1.00 42.00 H new ATOM 0 HG23 ILE A 44 4.258 -9.084 3.425 1.00 42.00 H new ATOM 0 HD11 ILE A 44 1.843 -12.734 3.488 1.00 64.42 H new ATOM 0 HD12 ILE A 44 2.377 -12.524 5.172 1.00 64.42 H new ATOM 0 HD13 ILE A 44 1.785 -11.125 4.245 1.00 64.42 H new ATOM 671 N ASP A 45 6.652 -13.027 3.273 1.00 11.55 N ATOM 672 CA ASP A 45 7.008 -14.444 3.188 1.00 52.41 C ATOM 673 C ASP A 45 8.368 -14.718 3.826 1.00 74.34 C ATOM 674 O ASP A 45 8.687 -15.855 4.168 1.00 35.41 O ATOM 675 CB ASP A 45 7.016 -14.905 1.727 1.00 34.40 C ATOM 676 CG ASP A 45 8.031 -14.157 0.882 1.00 61.25 C ATOM 677 OD1 ASP A 45 7.678 -13.093 0.332 1.00 74.22 O ATOM 678 OD2 ASP A 45 9.179 -14.630 0.768 1.00 4.41 O ATOM 0 H ASP A 45 6.566 -12.564 2.368 1.00 11.55 H new ATOM 0 HA ASP A 45 6.255 -15.007 3.739 1.00 52.41 H new ATOM 0 HB2 ASP A 45 7.233 -15.972 1.688 1.00 34.40 H new ATOM 0 HB3 ASP A 45 6.022 -14.766 1.301 1.00 34.40 H new ATOM 682 N GLY A 46 9.166 -13.670 3.988 1.00 5.04 N ATOM 683 CA GLY A 46 10.455 -13.815 4.632 1.00 1.34 C ATOM 684 C GLY A 46 10.423 -13.382 6.085 1.00 5.42 C ATOM 685 O GLY A 46 11.465 -13.285 6.733 1.00 52.42 O ATOM 0 H GLY A 46 8.942 -12.722 3.684 1.00 5.04 H new ATOM 0 HA2 GLY A 46 10.774 -14.856 4.572 1.00 1.34 H new ATOM 0 HA3 GLY A 46 11.196 -13.223 4.095 1.00 1.34 H new ATOM 689 N ASN A 47 9.221 -13.127 6.591 1.00 3.03 N ATOM 690 CA ASN A 47 9.036 -12.672 7.964 1.00 13.12 C ATOM 691 C ASN A 47 7.929 -13.466 8.641 1.00 44.23 C ATOM 692 O ASN A 47 6.757 -13.356 8.271 1.00 21.42 O ATOM 693 CB ASN A 47 8.696 -11.177 8.003 1.00 13.25 C ATOM 694 CG ASN A 47 9.896 -10.289 7.720 1.00 33.31 C ATOM 695 OD1 ASN A 47 10.632 -9.922 8.634 1.00 22.32 O ATOM 696 ND2 ASN A 47 10.093 -9.921 6.459 1.00 50.35 N ATOM 0 H ASN A 47 8.353 -13.229 6.065 1.00 3.03 H new ATOM 0 HA ASN A 47 9.972 -12.832 8.500 1.00 13.12 H new ATOM 0 HB2 ASN A 47 7.915 -10.968 7.271 1.00 13.25 H new ATOM 0 HB3 ASN A 47 8.289 -10.928 8.983 1.00 13.25 H new ATOM 0 HD21 ASN A 47 10.877 -9.313 6.222 1.00 50.35 H new ATOM 0 HD22 ASN A 47 9.460 -10.246 5.728 1.00 50.35 H new ATOM 702 N GLU A 48 8.301 -14.260 9.636 1.00 4.24 N ATOM 703 CA GLU A 48 7.343 -15.096 10.353 1.00 54.32 C ATOM 704 C GLU A 48 6.237 -14.254 10.983 1.00 23.22 C ATOM 705 O GLU A 48 5.061 -14.607 10.903 1.00 54.13 O ATOM 706 CB GLU A 48 8.052 -15.912 11.435 1.00 1.32 C ATOM 707 CG GLU A 48 9.014 -16.955 10.887 1.00 22.32 C ATOM 708 CD GLU A 48 8.312 -18.052 10.110 1.00 62.32 C ATOM 709 OE1 GLU A 48 8.052 -17.864 8.910 1.00 13.24 O ATOM 710 OE2 GLU A 48 8.016 -19.115 10.701 1.00 15.04 O ATOM 0 H GLU A 48 9.262 -14.344 9.967 1.00 4.24 H new ATOM 0 HA GLU A 48 6.889 -15.775 9.631 1.00 54.32 H new ATOM 0 HB2 GLU A 48 8.601 -15.233 12.088 1.00 1.32 H new ATOM 0 HB3 GLU A 48 7.303 -16.410 12.050 1.00 1.32 H new ATOM 0 HG2 GLU A 48 9.742 -16.466 10.239 1.00 22.32 H new ATOM 0 HG3 GLU A 48 9.570 -17.400 11.713 1.00 22.32 H new ATOM 715 N HIS A 49 6.616 -13.126 11.579 1.00 31.31 N ATOM 716 CA HIS A 49 5.663 -12.265 12.276 1.00 2.31 C ATOM 717 C HIS A 49 4.584 -11.765 11.315 1.00 24.53 C ATOM 718 O HIS A 49 3.403 -11.735 11.653 1.00 12.14 O ATOM 719 CB HIS A 49 6.389 -11.075 12.921 1.00 32.51 C ATOM 720 CG HIS A 49 5.592 -10.361 13.982 1.00 72.25 C ATOM 721 ND1 HIS A 49 6.004 -10.265 15.298 1.00 62.22 N ATOM 722 CD2 HIS A 49 4.416 -9.689 13.914 1.00 3.20 C ATOM 723 CE1 HIS A 49 5.114 -9.573 15.988 1.00 74.31 C ATOM 724 NE2 HIS A 49 4.143 -9.214 15.173 1.00 21.41 N ATOM 0 H HIS A 49 7.578 -12.786 11.593 1.00 31.31 H new ATOM 0 HA HIS A 49 5.184 -12.851 13.060 1.00 2.31 H new ATOM 0 HB2 HIS A 49 7.322 -11.429 13.361 1.00 32.51 H new ATOM 0 HB3 HIS A 49 6.655 -10.361 12.141 1.00 32.51 H new ATOM 0 HD2 HIS A 49 3.807 -9.553 13.033 1.00 3.20 H new ATOM 0 HE1 HIS A 49 5.173 -9.341 17.041 1.00 74.31 H new ATOM 0 HE2 HIS A 49 3.321 -8.671 15.435 1.00 21.41 H new ATOM 731 N LEU A 50 4.996 -11.394 10.107 1.00 64.34 N ATOM 732 CA LEU A 50 4.067 -10.868 9.112 1.00 22.32 C ATOM 733 C LEU A 50 3.257 -11.992 8.471 1.00 53.14 C ATOM 734 O LEU A 50 2.099 -11.797 8.099 1.00 61.31 O ATOM 735 CB LEU A 50 4.819 -10.080 8.040 1.00 2.32 C ATOM 736 CG LEU A 50 5.541 -8.823 8.539 1.00 3.32 C ATOM 737 CD1 LEU A 50 6.196 -8.090 7.379 1.00 33.34 C ATOM 738 CD2 LEU A 50 4.571 -7.906 9.272 1.00 64.14 C ATOM 0 H LEU A 50 5.965 -11.448 9.793 1.00 64.34 H new ATOM 0 HA LEU A 50 3.375 -10.196 9.620 1.00 22.32 H new ATOM 0 HB2 LEU A 50 5.551 -10.739 7.574 1.00 2.32 H new ATOM 0 HB3 LEU A 50 4.112 -9.789 7.263 1.00 2.32 H new ATOM 0 HG LEU A 50 6.320 -9.127 9.238 1.00 3.32 H new ATOM 0 HD11 LEU A 50 6.704 -7.200 7.751 1.00 33.34 H new ATOM 0 HD12 LEU A 50 6.920 -8.746 6.896 1.00 33.34 H new ATOM 0 HD13 LEU A 50 5.434 -7.797 6.657 1.00 33.34 H new ATOM 0 HD21 LEU A 50 5.101 -7.019 9.619 1.00 64.14 H new ATOM 0 HD22 LEU A 50 3.770 -7.609 8.596 1.00 64.14 H new ATOM 0 HD23 LEU A 50 4.147 -8.433 10.127 1.00 64.14 H new ATOM 749 N THR A 51 3.865 -13.164 8.349 1.00 4.32 N ATOM 750 CA THR A 51 3.172 -14.330 7.813 1.00 34.41 C ATOM 751 C THR A 51 2.079 -14.791 8.780 1.00 30.50 C ATOM 752 O THR A 51 1.087 -15.395 8.381 1.00 5.32 O ATOM 753 CB THR A 51 4.159 -15.486 7.538 1.00 74.33 C ATOM 754 OG1 THR A 51 5.187 -15.043 6.644 1.00 64.32 O ATOM 755 CG2 THR A 51 3.452 -16.689 6.928 1.00 61.44 C ATOM 0 H THR A 51 4.835 -13.334 8.613 1.00 4.32 H new ATOM 0 HA THR A 51 2.712 -14.042 6.868 1.00 34.41 H new ATOM 0 HB THR A 51 4.593 -15.787 8.491 1.00 74.33 H new ATOM 0 HG1 THR A 51 5.768 -14.402 7.105 1.00 64.32 H new ATOM 0 HG21 THR A 51 4.176 -17.484 6.747 1.00 61.44 H new ATOM 0 HG22 THR A 51 2.684 -17.047 7.614 1.00 61.44 H new ATOM 0 HG23 THR A 51 2.989 -16.399 5.985 1.00 61.44 H new ATOM 763 N ARG A 52 2.261 -14.480 10.056 1.00 52.12 N ATOM 764 CA ARG A 52 1.266 -14.806 11.073 1.00 24.11 C ATOM 765 C ARG A 52 0.122 -13.807 11.025 1.00 34.14 C ATOM 766 O ARG A 52 -1.034 -14.152 11.263 1.00 11.43 O ATOM 767 CB ARG A 52 1.883 -14.807 12.472 1.00 14.01 C ATOM 768 CG ARG A 52 2.910 -15.903 12.695 1.00 25.01 C ATOM 769 CD ARG A 52 2.355 -17.270 12.336 1.00 43.30 C ATOM 770 NE ARG A 52 3.212 -18.351 12.818 1.00 32.51 N ATOM 771 CZ ARG A 52 3.958 -19.130 12.033 1.00 55.13 C ATOM 772 NH1 ARG A 52 4.022 -18.895 10.725 1.00 24.44 N ATOM 773 NH2 ARG A 52 4.655 -20.129 12.563 1.00 43.30 N ATOM 0 H ARG A 52 3.088 -14.002 10.413 1.00 52.12 H new ATOM 0 HA ARG A 52 0.888 -15.806 10.861 1.00 24.11 H new ATOM 0 HB2 ARG A 52 2.354 -13.840 12.650 1.00 14.01 H new ATOM 0 HB3 ARG A 52 1.087 -14.914 13.209 1.00 14.01 H new ATOM 0 HG2 ARG A 52 3.796 -15.700 12.094 1.00 25.01 H new ATOM 0 HG3 ARG A 52 3.225 -15.900 13.738 1.00 25.01 H new ATOM 0 HD2 ARG A 52 1.358 -17.380 12.762 1.00 43.30 H new ATOM 0 HD3 ARG A 52 2.249 -17.346 11.254 1.00 43.30 H new ATOM 0 HE ARG A 52 3.242 -18.522 13.823 1.00 32.51 H new ATOM 0 HH11 ARG A 52 3.500 -18.118 10.320 1.00 24.44 H new ATOM 0 HH12 ARG A 52 4.593 -19.492 10.127 1.00 24.44 H new ATOM 0 HH21 ARG A 52 4.619 -20.299 13.568 1.00 43.30 H new ATOM 0 HH22 ARG A 52 5.226 -20.726 11.965 1.00 43.30 H new ATOM 784 N LEU A 53 0.460 -12.560 10.721 1.00 70.41 N ATOM 785 CA LEU A 53 -0.530 -11.499 10.618 1.00 50.14 C ATOM 786 C LEU A 53 -1.402 -11.679 9.380 1.00 51.44 C ATOM 787 O LEU A 53 -2.629 -11.750 9.473 1.00 5.35 O ATOM 788 CB LEU A 53 0.167 -10.135 10.559 1.00 52.34 C ATOM 789 CG LEU A 53 0.847 -9.680 11.848 1.00 63.01 C ATOM 790 CD1 LEU A 53 1.733 -8.473 11.585 1.00 70.02 C ATOM 791 CD2 LEU A 53 -0.194 -9.345 12.899 1.00 43.24 C ATOM 0 H LEU A 53 1.418 -12.259 10.541 1.00 70.41 H new ATOM 0 HA LEU A 53 -1.168 -11.547 11.501 1.00 50.14 H new ATOM 0 HB2 LEU A 53 0.915 -10.164 9.767 1.00 52.34 H new ATOM 0 HB3 LEU A 53 -0.570 -9.384 10.274 1.00 52.34 H new ATOM 0 HG LEU A 53 1.471 -10.494 12.217 1.00 63.01 H new ATOM 0 HD11 LEU A 53 2.210 -8.162 12.515 1.00 70.02 H new ATOM 0 HD12 LEU A 53 2.498 -8.736 10.855 1.00 70.02 H new ATOM 0 HD13 LEU A 53 1.127 -7.654 11.197 1.00 70.02 H new ATOM 0 HD21 LEU A 53 0.303 -9.022 13.814 1.00 43.24 H new ATOM 0 HD22 LEU A 53 -0.836 -8.544 12.533 1.00 43.24 H new ATOM 0 HD23 LEU A 53 -0.798 -10.228 13.107 1.00 43.24 H new ATOM 802 N TYR A 54 -0.760 -11.769 8.226 1.00 25.30 N ATOM 803 CA TYR A 54 -1.473 -11.732 6.960 1.00 45.54 C ATOM 804 C TYR A 54 -1.495 -13.096 6.274 1.00 54.53 C ATOM 805 O TYR A 54 -2.550 -13.725 6.178 1.00 63.13 O ATOM 806 CB TYR A 54 -0.833 -10.685 6.040 1.00 22.03 C ATOM 807 CG TYR A 54 -0.783 -9.301 6.649 1.00 5.12 C ATOM 808 CD1 TYR A 54 -1.855 -8.429 6.524 1.00 70.21 C ATOM 809 CD2 TYR A 54 0.332 -8.872 7.358 1.00 62.20 C ATOM 810 CE1 TYR A 54 -1.822 -7.171 7.093 1.00 13.53 C ATOM 811 CE2 TYR A 54 0.374 -7.612 7.929 1.00 31.00 C ATOM 812 CZ TYR A 54 -0.705 -6.764 7.793 1.00 21.05 C ATOM 813 OH TYR A 54 -0.672 -5.511 8.364 1.00 70.32 O ATOM 0 H TYR A 54 0.252 -11.868 8.140 1.00 25.30 H new ATOM 0 HA TYR A 54 -2.508 -11.459 7.166 1.00 45.54 H new ATOM 0 HB2 TYR A 54 0.180 -11.001 5.791 1.00 22.03 H new ATOM 0 HB3 TYR A 54 -1.392 -10.643 5.105 1.00 22.03 H new ATOM 0 HD1 TYR A 54 -2.730 -8.739 5.972 1.00 70.21 H new ATOM 0 HD2 TYR A 54 1.180 -9.532 7.465 1.00 62.20 H new ATOM 0 HE1 TYR A 54 -2.668 -6.508 6.990 1.00 13.53 H new ATOM 0 HE2 TYR A 54 1.248 -7.294 8.479 1.00 31.00 H new ATOM 0 HH TYR A 54 -0.053 -4.940 7.863 1.00 70.32 H new ATOM 822 N ASN A 55 -0.317 -13.543 5.833 1.00 14.21 N ATOM 823 CA ASN A 55 -0.162 -14.733 4.977 1.00 13.23 C ATOM 824 C ASN A 55 -1.088 -14.685 3.753 1.00 32.44 C ATOM 825 O ASN A 55 -0.693 -14.198 2.695 1.00 41.42 O ATOM 826 CB ASN A 55 -0.388 -16.034 5.759 1.00 53.34 C ATOM 827 CG ASN A 55 0.113 -17.260 5.010 1.00 20.24 C ATOM 828 OD1 ASN A 55 0.169 -17.285 3.777 1.00 35.20 O ATOM 829 ND2 ASN A 55 0.479 -18.292 5.754 1.00 71.15 N ATOM 0 H ASN A 55 0.568 -13.088 6.059 1.00 14.21 H new ATOM 0 HA ASN A 55 0.869 -14.722 4.624 1.00 13.23 H new ATOM 0 HB2 ASN A 55 0.119 -15.968 6.721 1.00 53.34 H new ATOM 0 HB3 ASN A 55 -1.452 -16.149 5.967 1.00 53.34 H new ATOM 0 HD21 ASN A 55 0.821 -19.144 5.311 1.00 71.15 H new ATOM 0 HD22 ASN A 55 0.419 -18.235 6.771 1.00 71.15 H new ATOM 835 N ASP A 56 -2.318 -15.174 3.909 1.00 22.30 N ATOM 836 CA ASP A 56 -3.280 -15.225 2.808 1.00 15.52 C ATOM 837 C ASP A 56 -4.092 -13.943 2.746 1.00 71.33 C ATOM 838 O ASP A 56 -5.192 -13.906 2.192 1.00 52.34 O ATOM 839 CB ASP A 56 -4.214 -16.424 2.954 1.00 62.31 C ATOM 840 CG ASP A 56 -3.512 -17.739 2.702 1.00 53.23 C ATOM 841 OD1 ASP A 56 -3.297 -18.083 1.522 1.00 55.41 O ATOM 842 OD2 ASP A 56 -3.173 -18.434 3.682 1.00 60.03 O ATOM 0 H ASP A 56 -2.673 -15.542 4.792 1.00 22.30 H new ATOM 0 HA ASP A 56 -2.718 -15.333 1.880 1.00 15.52 H new ATOM 0 HB2 ASP A 56 -4.639 -16.429 3.958 1.00 62.31 H new ATOM 0 HB3 ASP A 56 -5.045 -16.320 2.256 1.00 62.31 H new ATOM 846 N ARG A 57 -3.538 -12.896 3.323 1.00 60.11 N ATOM 847 CA ARG A 57 -4.122 -11.575 3.271 1.00 63.20 C ATOM 848 C ARG A 57 -3.057 -10.586 2.847 1.00 14.21 C ATOM 849 O ARG A 57 -2.728 -9.660 3.584 1.00 44.24 O ATOM 850 CB ARG A 57 -4.697 -11.193 4.638 1.00 62.05 C ATOM 851 CG ARG A 57 -6.038 -11.838 4.942 1.00 44.54 C ATOM 852 CD ARG A 57 -6.343 -11.821 6.430 1.00 11.01 C ATOM 853 NE ARG A 57 -5.541 -12.809 7.156 1.00 43.42 N ATOM 854 CZ ARG A 57 -5.960 -13.434 8.254 1.00 32.12 C ATOM 855 NH1 ARG A 57 -7.107 -13.085 8.827 1.00 63.11 N ATOM 856 NH2 ARG A 57 -5.215 -14.390 8.799 1.00 63.34 N ATOM 0 H ARG A 57 -2.663 -12.940 3.845 1.00 60.11 H new ATOM 0 HA ARG A 57 -4.938 -11.562 2.548 1.00 63.20 H new ATOM 0 HB2 ARG A 57 -3.985 -11.476 5.413 1.00 62.05 H new ATOM 0 HB3 ARG A 57 -4.807 -10.110 4.686 1.00 62.05 H new ATOM 0 HG2 ARG A 57 -6.826 -11.312 4.403 1.00 44.54 H new ATOM 0 HG3 ARG A 57 -6.037 -12.867 4.582 1.00 44.54 H new ATOM 0 HD2 ARG A 57 -6.147 -10.827 6.831 1.00 11.01 H new ATOM 0 HD3 ARG A 57 -7.402 -12.025 6.587 1.00 11.01 H new ATOM 0 HE ARG A 57 -4.611 -13.030 6.801 1.00 43.42 H new ATOM 0 HH11 ARG A 57 -7.670 -12.335 8.426 1.00 63.11 H new ATOM 0 HH12 ARG A 57 -7.424 -13.567 9.668 1.00 63.11 H new ATOM 0 HH21 ARG A 57 -4.322 -14.645 8.376 1.00 63.34 H new ATOM 0 HH22 ARG A 57 -5.536 -14.869 9.640 1.00 63.34 H new ATOM 867 N VAL A 58 -2.496 -10.798 1.663 1.00 64.32 N ATOM 868 CA VAL A 58 -1.457 -9.942 1.177 1.00 53.14 C ATOM 869 C VAL A 58 -2.063 -8.819 0.344 1.00 64.13 C ATOM 870 O VAL A 58 -3.049 -8.233 0.798 1.00 23.13 O ATOM 871 CB VAL A 58 -0.340 -10.714 0.437 1.00 35.40 C ATOM 872 CG1 VAL A 58 0.868 -10.874 1.333 1.00 53.43 C ATOM 873 CG2 VAL A 58 -0.825 -12.075 -0.033 1.00 74.33 C ATOM 0 H VAL A 58 -2.753 -11.558 1.033 1.00 64.32 H new ATOM 0 HA VAL A 58 -0.956 -9.492 2.034 1.00 53.14 H new ATOM 0 HB VAL A 58 -0.060 -10.134 -0.442 1.00 35.40 H new ATOM 0 HG11 VAL A 58 1.647 -11.419 0.800 1.00 53.43 H new ATOM 0 HG12 VAL A 58 1.243 -9.891 1.617 1.00 53.43 H new ATOM 0 HG13 VAL A 58 0.586 -11.428 2.229 1.00 53.43 H new ATOM 0 HG21 VAL A 58 -0.016 -12.591 -0.549 1.00 74.33 H new ATOM 0 HG22 VAL A 58 -1.142 -12.665 0.827 1.00 74.33 H new ATOM 0 HG23 VAL A 58 -1.666 -11.946 -0.714 1.00 74.33 H new ATOM 883 N PRO A 59 -1.612 -8.582 -0.913 1.00 63.53 N ATOM 884 CA PRO A 59 -1.494 -7.251 -1.456 1.00 11.22 C ATOM 885 C PRO A 59 -2.202 -6.175 -0.630 1.00 14.14 C ATOM 886 O PRO A 59 -3.240 -5.645 -1.027 1.00 62.52 O ATOM 887 CB PRO A 59 -2.093 -7.405 -2.849 1.00 43.13 C ATOM 888 CG PRO A 59 -1.772 -8.814 -3.248 1.00 73.42 C ATOM 889 CD PRO A 59 -1.364 -9.557 -1.989 1.00 24.31 C ATOM 0 HA PRO A 59 -0.463 -6.898 -1.459 1.00 11.22 H new ATOM 0 HB2 PRO A 59 -3.169 -7.232 -2.839 1.00 43.13 H new ATOM 0 HB3 PRO A 59 -1.661 -6.688 -3.547 1.00 43.13 H new ATOM 0 HG2 PRO A 59 -2.637 -9.289 -3.711 1.00 73.42 H new ATOM 0 HG3 PRO A 59 -0.967 -8.832 -3.983 1.00 73.42 H new ATOM 0 HD2 PRO A 59 -1.952 -10.464 -1.851 1.00 24.31 H new ATOM 0 HD3 PRO A 59 -0.317 -9.858 -2.023 1.00 24.31 H new ATOM 894 N VAL A 60 -1.628 -5.881 0.532 1.00 30.13 N ATOM 895 CA VAL A 60 -2.275 -5.038 1.527 1.00 73.15 C ATOM 896 C VAL A 60 -1.707 -3.630 1.516 1.00 41.41 C ATOM 897 O VAL A 60 -0.515 -3.433 1.751 1.00 63.30 O ATOM 898 CB VAL A 60 -2.131 -5.618 2.958 1.00 53.20 C ATOM 899 CG1 VAL A 60 -3.464 -6.126 3.479 1.00 5.34 C ATOM 900 CG2 VAL A 60 -1.104 -6.733 2.998 1.00 44.53 C ATOM 0 H VAL A 60 -0.706 -6.219 0.808 1.00 30.13 H new ATOM 0 HA VAL A 60 -3.331 -5.008 1.258 1.00 73.15 H new ATOM 0 HB VAL A 60 -1.789 -4.808 3.602 1.00 53.20 H new ATOM 0 HG11 VAL A 60 -3.333 -6.527 4.484 1.00 5.34 H new ATOM 0 HG12 VAL A 60 -4.181 -5.305 3.506 1.00 5.34 H new ATOM 0 HG13 VAL A 60 -3.837 -6.911 2.821 1.00 5.34 H new ATOM 0 HG21 VAL A 60 -1.026 -7.119 4.014 1.00 44.53 H new ATOM 0 HG22 VAL A 60 -1.412 -7.535 2.328 1.00 44.53 H new ATOM 0 HG23 VAL A 60 -0.135 -6.347 2.681 1.00 44.53 H new ATOM 910 N LEU A 61 -2.564 -2.658 1.233 1.00 22.24 N ATOM 911 CA LEU A 61 -2.169 -1.262 1.286 1.00 34.15 C ATOM 912 C LEU A 61 -2.249 -0.741 2.708 1.00 71.54 C ATOM 913 O LEU A 61 -3.336 -0.461 3.225 1.00 72.02 O ATOM 914 CB LEU A 61 -3.041 -0.406 0.369 1.00 70.43 C ATOM 915 CG LEU A 61 -2.759 -0.551 -1.124 1.00 5.11 C ATOM 916 CD1 LEU A 61 -3.705 0.322 -1.934 1.00 54.13 C ATOM 917 CD2 LEU A 61 -1.315 -0.193 -1.429 1.00 33.32 C ATOM 0 H LEU A 61 -3.536 -2.813 0.965 1.00 22.24 H new ATOM 0 HA LEU A 61 -1.138 -1.196 0.939 1.00 34.15 H new ATOM 0 HB2 LEU A 61 -4.086 -0.658 0.550 1.00 70.43 H new ATOM 0 HB3 LEU A 61 -2.912 0.640 0.646 1.00 70.43 H new ATOM 0 HG LEU A 61 -2.925 -1.591 -1.405 1.00 5.11 H new ATOM 0 HD11 LEU A 61 -3.489 0.205 -2.996 1.00 54.13 H new ATOM 0 HD12 LEU A 61 -4.734 0.022 -1.738 1.00 54.13 H new ATOM 0 HD13 LEU A 61 -3.571 1.366 -1.649 1.00 54.13 H new ATOM 0 HD21 LEU A 61 -1.131 -0.302 -2.498 1.00 33.32 H new ATOM 0 HD22 LEU A 61 -1.125 0.838 -1.131 1.00 33.32 H new ATOM 0 HD23 LEU A 61 -0.651 -0.858 -0.877 1.00 33.32 H new ATOM 928 N PHE A 62 -1.092 -0.620 3.332 1.00 51.30 N ATOM 929 CA PHE A 62 -0.998 -0.106 4.679 1.00 53.10 C ATOM 930 C PHE A 62 -0.788 1.395 4.640 1.00 25.02 C ATOM 931 O PHE A 62 0.194 1.885 4.073 1.00 61.14 O ATOM 932 CB PHE A 62 0.154 -0.785 5.424 1.00 62.23 C ATOM 933 CG PHE A 62 0.441 -0.184 6.771 1.00 42.25 C ATOM 934 CD1 PHE A 62 -0.444 -0.348 7.822 1.00 41.45 C ATOM 935 CD2 PHE A 62 1.599 0.548 6.981 1.00 60.23 C ATOM 936 CE1 PHE A 62 -0.182 0.208 9.058 1.00 22.42 C ATOM 937 CE2 PHE A 62 1.867 1.106 8.215 1.00 31.33 C ATOM 938 CZ PHE A 62 0.975 0.936 9.255 1.00 55.20 C ATOM 0 H PHE A 62 -0.195 -0.875 2.918 1.00 51.30 H new ATOM 0 HA PHE A 62 -1.926 -0.320 5.209 1.00 53.10 H new ATOM 0 HB2 PHE A 62 -0.080 -1.842 5.550 1.00 62.23 H new ATOM 0 HB3 PHE A 62 1.054 -0.729 4.812 1.00 62.23 H new ATOM 0 HD1 PHE A 62 -1.350 -0.917 7.674 1.00 41.45 H new ATOM 0 HD2 PHE A 62 2.300 0.683 6.170 1.00 60.23 H new ATOM 0 HE1 PHE A 62 -0.881 0.074 9.870 1.00 22.42 H new ATOM 0 HE2 PHE A 62 2.773 1.674 8.367 1.00 31.33 H new ATOM 0 HZ PHE A 62 1.182 1.372 10.221 1.00 55.20 H new ATOM 947 N ALA A 63 -1.725 2.115 5.226 1.00 12.03 N ATOM 948 CA ALA A 63 -1.647 3.560 5.281 1.00 11.40 C ATOM 949 C ALA A 63 -0.616 4.000 6.311 1.00 30.12 C ATOM 950 O ALA A 63 -0.865 3.934 7.515 1.00 1.32 O ATOM 951 CB ALA A 63 -3.007 4.152 5.612 1.00 13.35 C ATOM 0 H ALA A 63 -2.552 1.720 5.672 1.00 12.03 H new ATOM 0 HA ALA A 63 -1.337 3.925 4.302 1.00 11.40 H new ATOM 0 HB1 ALA A 63 -2.931 5.239 5.650 1.00 13.35 H new ATOM 0 HB2 ALA A 63 -3.726 3.865 4.844 1.00 13.35 H new ATOM 0 HB3 ALA A 63 -3.341 3.778 6.580 1.00 13.35 H new ATOM 957 N VAL A 64 0.546 4.426 5.838 1.00 5.34 N ATOM 958 CA VAL A 64 1.601 4.919 6.707 1.00 71.04 C ATOM 959 C VAL A 64 1.225 6.309 7.203 1.00 24.20 C ATOM 960 O VAL A 64 0.478 7.021 6.533 1.00 54.40 O ATOM 961 CB VAL A 64 2.959 4.952 5.960 1.00 11.12 C ATOM 962 CG1 VAL A 64 4.086 5.460 6.843 1.00 24.12 C ATOM 963 CG2 VAL A 64 3.293 3.566 5.419 1.00 55.43 C ATOM 0 H VAL A 64 0.782 4.439 4.846 1.00 5.34 H new ATOM 0 HA VAL A 64 1.710 4.248 7.559 1.00 71.04 H new ATOM 0 HB VAL A 64 2.859 5.651 5.129 1.00 11.12 H new ATOM 0 HG11 VAL A 64 5.017 5.465 6.277 1.00 24.12 H new ATOM 0 HG12 VAL A 64 3.858 6.472 7.177 1.00 24.12 H new ATOM 0 HG13 VAL A 64 4.192 4.807 7.709 1.00 24.12 H new ATOM 0 HG21 VAL A 64 4.249 3.600 4.896 1.00 55.43 H new ATOM 0 HG22 VAL A 64 3.357 2.858 6.246 1.00 55.43 H new ATOM 0 HG23 VAL A 64 2.513 3.247 4.728 1.00 55.43 H new ATOM 973 N ASN A 65 1.685 6.660 8.404 1.00 33.14 N ATOM 974 CA ASN A 65 1.384 7.961 9.000 1.00 45.04 C ATOM 975 C ASN A 65 -0.112 8.048 9.322 1.00 32.31 C ATOM 976 O ASN A 65 -0.679 9.126 9.481 1.00 5.32 O ATOM 977 CB ASN A 65 1.823 9.087 8.051 1.00 43.41 C ATOM 978 CG ASN A 65 1.775 10.466 8.678 1.00 23.01 C ATOM 979 OD1 ASN A 65 1.966 10.627 9.886 1.00 30.51 O ATOM 980 ND2 ASN A 65 1.526 11.476 7.858 1.00 10.21 N ATOM 0 H ASN A 65 2.270 6.059 8.985 1.00 33.14 H new ATOM 0 HA ASN A 65 1.938 8.075 9.932 1.00 45.04 H new ATOM 0 HB2 ASN A 65 2.839 8.888 7.711 1.00 43.41 H new ATOM 0 HB3 ASN A 65 1.183 9.076 7.169 1.00 43.41 H new ATOM 0 HD21 ASN A 65 1.487 12.429 8.220 1.00 10.21 H new ATOM 0 HD22 ASN A 65 1.374 11.301 6.865 1.00 10.21 H new ATOM 986 N GLU A 66 -0.733 6.883 9.451 1.00 75.11 N ATOM 987 CA GLU A 66 -2.158 6.790 9.726 1.00 1.34 C ATOM 988 C GLU A 66 -2.439 5.487 10.467 1.00 54.31 C ATOM 989 O GLU A 66 -3.184 5.465 11.449 1.00 23.30 O ATOM 990 CB GLU A 66 -2.946 6.830 8.410 1.00 73.10 C ATOM 991 CG GLU A 66 -4.191 7.705 8.448 1.00 62.34 C ATOM 992 CD GLU A 66 -5.224 7.230 9.447 1.00 54.43 C ATOM 993 OE1 GLU A 66 -5.802 6.150 9.241 1.00 24.14 O ATOM 994 OE2 GLU A 66 -5.469 7.946 10.441 1.00 52.45 O ATOM 0 H GLU A 66 -0.265 5.981 9.368 1.00 75.11 H new ATOM 0 HA GLU A 66 -2.469 7.632 10.344 1.00 1.34 H new ATOM 0 HB2 GLU A 66 -2.289 7.189 7.618 1.00 73.10 H new ATOM 0 HB3 GLU A 66 -3.239 5.814 8.145 1.00 73.10 H new ATOM 0 HG2 GLU A 66 -3.901 8.727 8.693 1.00 62.34 H new ATOM 0 HG3 GLU A 66 -4.640 7.730 7.455 1.00 62.34 H new ATOM 999 N ASP A 67 -1.818 4.413 9.973 1.00 52.53 N ATOM 1000 CA ASP A 67 -1.887 3.081 10.581 1.00 53.30 C ATOM 1001 C ASP A 67 -3.268 2.461 10.404 1.00 52.12 C ATOM 1002 O ASP A 67 -4.115 2.531 11.295 1.00 22.24 O ATOM 1003 CB ASP A 67 -1.494 3.114 12.066 1.00 71.13 C ATOM 1004 CG ASP A 67 -1.409 1.727 12.684 1.00 11.43 C ATOM 1005 OD1 ASP A 67 -0.350 1.076 12.545 1.00 32.42 O ATOM 1006 OD2 ASP A 67 -2.390 1.289 13.324 1.00 23.14 O ATOM 0 H ASP A 67 -1.246 4.444 9.129 1.00 52.53 H new ATOM 0 HA ASP A 67 -1.164 2.454 10.059 1.00 53.30 H new ATOM 0 HB2 ASP A 67 -0.531 3.613 12.171 1.00 71.13 H new ATOM 0 HB3 ASP A 67 -2.223 3.708 12.617 1.00 71.13 H new ATOM 1010 N LYS A 68 -3.491 1.889 9.225 1.00 62.14 N ATOM 1011 CA LYS A 68 -4.719 1.161 8.924 1.00 22.23 C ATOM 1012 C LYS A 68 -4.630 0.552 7.531 1.00 73.33 C ATOM 1013 O LYS A 68 -3.772 0.936 6.735 1.00 53.22 O ATOM 1014 CB LYS A 68 -5.956 2.070 8.990 1.00 14.13 C ATOM 1015 CG LYS A 68 -5.991 3.137 7.906 1.00 33.23 C ATOM 1016 CD LYS A 68 -7.388 3.298 7.328 1.00 71.45 C ATOM 1017 CE LYS A 68 -8.376 3.823 8.357 1.00 43.01 C ATOM 1018 NZ LYS A 68 -8.158 5.263 8.658 1.00 61.22 N ATOM 0 H LYS A 68 -2.826 1.917 8.452 1.00 62.14 H new ATOM 0 HA LYS A 68 -4.827 0.380 9.677 1.00 22.23 H new ATOM 0 HB2 LYS A 68 -6.852 1.455 8.911 1.00 14.13 H new ATOM 0 HB3 LYS A 68 -5.988 2.555 9.966 1.00 14.13 H new ATOM 0 HG2 LYS A 68 -5.655 4.088 8.319 1.00 33.23 H new ATOM 0 HG3 LYS A 68 -5.295 2.872 7.110 1.00 33.23 H new ATOM 0 HD2 LYS A 68 -7.352 3.981 6.479 1.00 71.45 H new ATOM 0 HD3 LYS A 68 -7.736 2.337 6.949 1.00 71.45 H new ATOM 0 HE2 LYS A 68 -9.392 3.680 7.989 1.00 43.01 H new ATOM 0 HE3 LYS A 68 -8.285 3.243 9.275 1.00 43.01 H new ATOM 0 HZ1 LYS A 68 -8.853 5.579 9.364 1.00 61.22 H new ATOM 0 HZ2 LYS A 68 -7.198 5.398 9.033 1.00 61.22 H new ATOM 0 HZ3 LYS A 68 -8.271 5.821 7.787 1.00 61.22 H new ATOM 1028 N GLU A 69 -5.515 -0.393 7.245 1.00 71.34 N ATOM 1029 CA GLU A 69 -5.642 -0.947 5.903 1.00 30.31 C ATOM 1030 C GLU A 69 -6.684 -0.167 5.115 1.00 73.01 C ATOM 1031 O GLU A 69 -7.797 0.054 5.599 1.00 32.43 O ATOM 1032 CB GLU A 69 -6.067 -2.418 5.957 1.00 62.44 C ATOM 1033 CG GLU A 69 -5.002 -3.367 6.477 1.00 21.24 C ATOM 1034 CD GLU A 69 -5.516 -4.790 6.594 1.00 72.32 C ATOM 1035 OE1 GLU A 69 -5.914 -5.375 5.561 1.00 24.34 O ATOM 1036 OE2 GLU A 69 -5.543 -5.322 7.727 1.00 12.21 O ATOM 0 H GLU A 69 -6.159 -0.794 7.927 1.00 71.34 H new ATOM 0 HA GLU A 69 -4.670 -0.872 5.416 1.00 30.31 H new ATOM 0 HB2 GLU A 69 -6.951 -2.504 6.589 1.00 62.44 H new ATOM 0 HB3 GLU A 69 -6.359 -2.735 4.956 1.00 62.44 H new ATOM 0 HG2 GLU A 69 -4.141 -3.346 5.809 1.00 21.24 H new ATOM 0 HG3 GLU A 69 -4.657 -3.025 7.453 1.00 21.24 H new ATOM 1041 N LEU A 70 -6.334 0.260 3.911 1.00 21.52 N ATOM 1042 CA LEU A 70 -7.306 0.897 3.035 1.00 52.51 C ATOM 1043 C LEU A 70 -8.079 -0.175 2.284 1.00 42.42 C ATOM 1044 O LEU A 70 -9.309 -0.174 2.254 1.00 42.25 O ATOM 1045 CB LEU A 70 -6.631 1.847 2.039 1.00 74.34 C ATOM 1046 CG LEU A 70 -5.826 2.989 2.654 1.00 63.45 C ATOM 1047 CD1 LEU A 70 -5.351 3.920 1.557 1.00 2.24 C ATOM 1048 CD2 LEU A 70 -6.650 3.750 3.683 1.00 53.30 C ATOM 0 H LEU A 70 -5.395 0.179 3.521 1.00 21.52 H new ATOM 0 HA LEU A 70 -7.985 1.489 3.648 1.00 52.51 H new ATOM 0 HB2 LEU A 70 -5.968 1.263 1.400 1.00 74.34 H new ATOM 0 HB3 LEU A 70 -7.400 2.274 1.395 1.00 74.34 H new ATOM 0 HG LEU A 70 -4.962 2.570 3.170 1.00 63.45 H new ATOM 0 HD11 LEU A 70 -4.776 4.736 1.996 1.00 2.24 H new ATOM 0 HD12 LEU A 70 -4.723 3.368 0.858 1.00 2.24 H new ATOM 0 HD13 LEU A 70 -6.212 4.327 1.027 1.00 2.24 H new ATOM 0 HD21 LEU A 70 -6.051 4.557 4.104 1.00 53.30 H new ATOM 0 HD22 LEU A 70 -7.535 4.167 3.204 1.00 53.30 H new ATOM 0 HD23 LEU A 70 -6.955 3.071 4.479 1.00 53.30 H new ATOM 1059 N CYS A 71 -7.333 -1.099 1.698 1.00 24.41 N ATOM 1060 CA CYS A 71 -7.902 -2.226 0.983 1.00 61.51 C ATOM 1061 C CYS A 71 -6.779 -3.192 0.638 1.00 51.13 C ATOM 1062 O CYS A 71 -5.601 -2.846 0.774 1.00 32.15 O ATOM 1063 CB CYS A 71 -8.622 -1.758 -0.289 1.00 13.03 C ATOM 1064 SG CYS A 71 -9.683 -3.010 -1.049 1.00 4.41 S ATOM 0 H CYS A 71 -6.313 -1.086 1.706 1.00 24.41 H new ATOM 0 HA CYS A 71 -8.640 -2.724 1.611 1.00 61.51 H new ATOM 0 HB2 CYS A 71 -9.227 -0.884 -0.049 1.00 13.03 H new ATOM 0 HB3 CYS A 71 -7.877 -1.440 -1.018 1.00 13.03 H new ATOM 0 HG CYS A 71 -10.754 -2.443 -1.520 1.00 4.41 H new ATOM 1069 N HIS A 72 -7.129 -4.389 0.205 1.00 40.25 N ATOM 1070 CA HIS A 72 -6.130 -5.380 -0.153 1.00 51.44 C ATOM 1071 C HIS A 72 -6.583 -6.213 -1.341 1.00 1.52 C ATOM 1072 O HIS A 72 -7.780 -6.452 -1.516 1.00 23.44 O ATOM 1073 CB HIS A 72 -5.779 -6.282 1.042 1.00 10.24 C ATOM 1074 CG HIS A 72 -6.951 -6.772 1.844 1.00 65.32 C ATOM 1075 ND1 HIS A 72 -7.104 -6.505 3.192 1.00 31.34 N ATOM 1076 CD2 HIS A 72 -8.016 -7.534 1.495 1.00 2.44 C ATOM 1077 CE1 HIS A 72 -8.205 -7.080 3.629 1.00 65.20 C ATOM 1078 NE2 HIS A 72 -8.778 -7.710 2.622 1.00 14.21 N ATOM 0 H HIS A 72 -8.094 -4.698 0.093 1.00 40.25 H new ATOM 0 HA HIS A 72 -5.227 -4.841 -0.441 1.00 51.44 H new ATOM 0 HB2 HIS A 72 -5.226 -7.146 0.674 1.00 10.24 H new ATOM 0 HB3 HIS A 72 -5.110 -5.734 1.705 1.00 10.24 H new ATOM 0 HD1 HIS A 72 -6.464 -5.949 3.759 1.00 31.34 H new ATOM 0 HD2 HIS A 72 -8.226 -7.929 0.512 1.00 2.44 H new ATOM 0 HE1 HIS A 72 -8.577 -7.042 4.642 1.00 65.20 H new ATOM 1085 N TYR A 73 -5.609 -6.625 -2.156 1.00 74.23 N ATOM 1086 CA TYR A 73 -5.836 -7.427 -3.364 1.00 4.54 C ATOM 1087 C TYR A 73 -6.416 -6.593 -4.502 1.00 42.31 C ATOM 1088 O TYR A 73 -5.955 -6.676 -5.639 1.00 21.43 O ATOM 1089 CB TYR A 73 -6.728 -8.643 -3.082 1.00 74.14 C ATOM 1090 CG TYR A 73 -6.040 -9.706 -2.261 1.00 31.33 C ATOM 1091 CD1 TYR A 73 -5.087 -10.535 -2.835 1.00 25.24 C ATOM 1092 CD2 TYR A 73 -6.333 -9.878 -0.915 1.00 63.04 C ATOM 1093 CE1 TYR A 73 -4.446 -11.506 -2.094 1.00 72.13 C ATOM 1094 CE2 TYR A 73 -5.695 -10.846 -0.165 1.00 50.35 C ATOM 1095 CZ TYR A 73 -4.753 -11.657 -0.761 1.00 60.21 C ATOM 1096 OH TYR A 73 -4.113 -12.620 -0.021 1.00 3.13 O ATOM 0 H TYR A 73 -4.625 -6.408 -1.994 1.00 74.23 H new ATOM 0 HA TYR A 73 -4.858 -7.791 -3.680 1.00 4.54 H new ATOM 0 HB2 TYR A 73 -7.626 -8.314 -2.559 1.00 74.14 H new ATOM 0 HB3 TYR A 73 -7.051 -9.076 -4.029 1.00 74.14 H new ATOM 0 HD1 TYR A 73 -4.843 -10.418 -3.880 1.00 25.24 H new ATOM 0 HD2 TYR A 73 -7.072 -9.244 -0.447 1.00 63.04 H new ATOM 0 HE1 TYR A 73 -3.708 -12.144 -2.557 1.00 72.13 H new ATOM 0 HE2 TYR A 73 -5.932 -10.967 0.882 1.00 50.35 H new ATOM 0 HH TYR A 73 -4.750 -13.035 0.597 1.00 3.13 H new ATOM 1105 N PHE A 74 -7.400 -5.770 -4.197 1.00 33.12 N ATOM 1106 CA PHE A 74 -8.044 -4.955 -5.199 1.00 70.34 C ATOM 1107 C PHE A 74 -7.990 -3.504 -4.775 1.00 30.12 C ATOM 1108 O PHE A 74 -7.725 -3.200 -3.613 1.00 53.43 O ATOM 1109 CB PHE A 74 -9.482 -5.415 -5.430 1.00 4.51 C ATOM 1110 CG PHE A 74 -9.584 -6.623 -6.315 1.00 13.22 C ATOM 1111 CD1 PHE A 74 -9.615 -6.483 -7.693 1.00 34.53 C ATOM 1112 CD2 PHE A 74 -9.642 -7.895 -5.771 1.00 10.33 C ATOM 1113 CE1 PHE A 74 -9.705 -7.589 -8.514 1.00 4.00 C ATOM 1114 CE2 PHE A 74 -9.732 -9.007 -6.588 1.00 71.23 C ATOM 1115 CZ PHE A 74 -9.762 -8.854 -7.960 1.00 40.14 C ATOM 0 H PHE A 74 -7.771 -5.650 -3.254 1.00 33.12 H new ATOM 0 HA PHE A 74 -7.515 -5.062 -6.146 1.00 70.34 H new ATOM 0 HB2 PHE A 74 -9.944 -5.638 -4.468 1.00 4.51 H new ATOM 0 HB3 PHE A 74 -10.050 -4.598 -5.875 1.00 4.51 H new ATOM 0 HD1 PHE A 74 -9.568 -5.497 -8.130 1.00 34.53 H new ATOM 0 HD2 PHE A 74 -9.617 -8.020 -4.699 1.00 10.33 H new ATOM 0 HE1 PHE A 74 -9.731 -7.466 -9.587 1.00 4.00 H new ATOM 0 HE2 PHE A 74 -9.779 -9.995 -6.153 1.00 71.23 H new ATOM 0 HZ PHE A 74 -9.830 -9.722 -8.599 1.00 40.14 H new ATOM 1124 N LEU A 75 -8.230 -2.613 -5.711 1.00 52.12 N ATOM 1125 CA LEU A 75 -7.967 -1.213 -5.486 1.00 13.15 C ATOM 1126 C LEU A 75 -9.251 -0.399 -5.468 1.00 70.21 C ATOM 1127 O LEU A 75 -9.824 -0.104 -6.516 1.00 41.02 O ATOM 1128 CB LEU A 75 -7.028 -0.703 -6.570 1.00 11.24 C ATOM 1129 CG LEU A 75 -6.384 0.651 -6.290 1.00 21.43 C ATOM 1130 CD1 LEU A 75 -5.345 0.517 -5.193 1.00 14.40 C ATOM 1131 CD2 LEU A 75 -5.755 1.213 -7.550 1.00 31.12 C ATOM 0 H LEU A 75 -8.606 -2.834 -6.633 1.00 52.12 H new ATOM 0 HA LEU A 75 -7.499 -1.098 -4.508 1.00 13.15 H new ATOM 0 HB2 LEU A 75 -6.238 -1.439 -6.719 1.00 11.24 H new ATOM 0 HB3 LEU A 75 -7.582 -0.637 -7.506 1.00 11.24 H new ATOM 0 HG LEU A 75 -7.158 1.343 -5.957 1.00 21.43 H new ATOM 0 HD11 LEU A 75 -4.891 1.489 -5.001 1.00 14.40 H new ATOM 0 HD12 LEU A 75 -5.822 0.153 -4.283 1.00 14.40 H new ATOM 0 HD13 LEU A 75 -4.574 -0.188 -5.506 1.00 14.40 H new ATOM 0 HD21 LEU A 75 -5.301 2.179 -7.330 1.00 31.12 H new ATOM 0 HD22 LEU A 75 -4.990 0.526 -7.912 1.00 31.12 H new ATOM 0 HD23 LEU A 75 -6.522 1.338 -8.315 1.00 31.12 H new ATOM 1142 N ASP A 76 -9.714 -0.061 -4.274 1.00 12.04 N ATOM 1143 CA ASP A 76 -10.839 0.849 -4.130 1.00 20.33 C ATOM 1144 C ASP A 76 -10.359 2.284 -4.267 1.00 64.44 C ATOM 1145 O ASP A 76 -9.907 2.894 -3.292 1.00 64.54 O ATOM 1146 CB ASP A 76 -11.540 0.667 -2.778 1.00 10.11 C ATOM 1147 CG ASP A 76 -12.412 -0.572 -2.713 1.00 22.54 C ATOM 1148 OD1 ASP A 76 -13.534 -0.548 -3.261 1.00 14.35 O ATOM 1149 OD2 ASP A 76 -11.990 -1.568 -2.089 1.00 43.10 O ATOM 0 H ASP A 76 -9.329 -0.402 -3.393 1.00 12.04 H new ATOM 0 HA ASP A 76 -11.558 0.622 -4.917 1.00 20.33 H new ATOM 0 HB2 ASP A 76 -10.787 0.614 -1.991 1.00 10.11 H new ATOM 0 HB3 ASP A 76 -12.153 1.545 -2.574 1.00 10.11 H new ATOM 1153 N SER A 77 -10.425 2.802 -5.487 1.00 32.35 N ATOM 1154 CA SER A 77 -10.023 4.175 -5.772 1.00 52.15 C ATOM 1155 C SER A 77 -10.798 5.153 -4.896 1.00 73.30 C ATOM 1156 O SER A 77 -10.268 6.179 -4.466 1.00 75.33 O ATOM 1157 CB SER A 77 -10.261 4.479 -7.249 1.00 43.53 C ATOM 1158 OG SER A 77 -9.689 3.470 -8.064 1.00 50.03 O ATOM 0 H SER A 77 -10.756 2.287 -6.303 1.00 32.35 H new ATOM 0 HA SER A 77 -8.962 4.289 -5.549 1.00 52.15 H new ATOM 0 HB2 SER A 77 -11.331 4.548 -7.444 1.00 43.53 H new ATOM 0 HB3 SER A 77 -9.828 5.447 -7.501 1.00 43.53 H new ATOM 0 HG SER A 77 -9.852 3.680 -9.007 1.00 50.03 H new ATOM 1163 N ASP A 78 -12.048 4.808 -4.622 1.00 3.52 N ATOM 1164 CA ASP A 78 -12.911 5.613 -3.771 1.00 73.41 C ATOM 1165 C ASP A 78 -12.306 5.785 -2.378 1.00 2.53 C ATOM 1166 O ASP A 78 -12.357 6.867 -1.795 1.00 20.30 O ATOM 1167 CB ASP A 78 -14.283 4.951 -3.666 1.00 33.01 C ATOM 1168 CG ASP A 78 -15.281 5.789 -2.901 1.00 45.21 C ATOM 1169 OD1 ASP A 78 -15.895 6.686 -3.513 1.00 54.01 O ATOM 1170 OD2 ASP A 78 -15.470 5.539 -1.690 1.00 3.15 O ATOM 0 H ASP A 78 -12.492 3.963 -4.983 1.00 3.52 H new ATOM 0 HA ASP A 78 -13.013 6.602 -4.218 1.00 73.41 H new ATOM 0 HB2 ASP A 78 -14.667 4.761 -4.668 1.00 33.01 H new ATOM 0 HB3 ASP A 78 -14.178 3.983 -3.176 1.00 33.01 H new ATOM 1174 N VAL A 79 -11.726 4.713 -1.857 1.00 31.05 N ATOM 1175 CA VAL A 79 -11.139 4.732 -0.522 1.00 3.42 C ATOM 1176 C VAL A 79 -9.788 5.443 -0.509 1.00 65.23 C ATOM 1177 O VAL A 79 -9.556 6.318 0.325 1.00 51.42 O ATOM 1178 CB VAL A 79 -10.989 3.307 0.055 1.00 44.25 C ATOM 1179 CG1 VAL A 79 -10.273 3.331 1.400 1.00 25.30 C ATOM 1180 CG2 VAL A 79 -12.358 2.660 0.196 1.00 73.41 C ATOM 0 H VAL A 79 -11.649 3.817 -2.338 1.00 31.05 H new ATOM 0 HA VAL A 79 -11.828 5.290 0.112 1.00 3.42 H new ATOM 0 HB VAL A 79 -10.384 2.719 -0.635 1.00 44.25 H new ATOM 0 HG11 VAL A 79 -10.182 2.314 1.782 1.00 25.30 H new ATOM 0 HG12 VAL A 79 -9.280 3.762 1.276 1.00 25.30 H new ATOM 0 HG13 VAL A 79 -10.845 3.934 2.106 1.00 25.30 H new ATOM 0 HG21 VAL A 79 -12.245 1.655 0.603 1.00 73.41 H new ATOM 0 HG22 VAL A 79 -12.975 3.257 0.868 1.00 73.41 H new ATOM 0 HG23 VAL A 79 -12.836 2.603 -0.782 1.00 73.41 H new ATOM 1190 N ILE A 80 -8.901 5.080 -1.432 1.00 15.43 N ATOM 1191 CA ILE A 80 -7.573 5.686 -1.470 1.00 60.32 C ATOM 1192 C ILE A 80 -7.671 7.185 -1.757 1.00 44.44 C ATOM 1193 O ILE A 80 -6.904 7.973 -1.215 1.00 24.42 O ATOM 1194 CB ILE A 80 -6.638 5.009 -2.506 1.00 2.02 C ATOM 1195 CG1 ILE A 80 -5.247 5.636 -2.480 1.00 11.13 C ATOM 1196 CG2 ILE A 80 -7.209 5.107 -3.898 1.00 65.43 C ATOM 1197 CD1 ILE A 80 -4.469 5.311 -1.235 1.00 42.52 C ATOM 0 H ILE A 80 -9.073 4.380 -2.154 1.00 15.43 H new ATOM 0 HA ILE A 80 -7.133 5.533 -0.485 1.00 60.32 H new ATOM 0 HB ILE A 80 -6.557 3.957 -2.231 1.00 2.02 H new ATOM 0 HG12 ILE A 80 -4.686 5.294 -3.350 1.00 11.13 H new ATOM 0 HG13 ILE A 80 -5.343 6.718 -2.568 1.00 11.13 H new ATOM 0 HG21 ILE A 80 -6.533 4.624 -4.603 1.00 65.43 H new ATOM 0 HG22 ILE A 80 -8.180 4.612 -3.929 1.00 65.43 H new ATOM 0 HG23 ILE A 80 -7.328 6.156 -4.169 1.00 65.43 H new ATOM 0 HD11 ILE A 80 -3.490 5.788 -1.283 1.00 42.52 H new ATOM 0 HD12 ILE A 80 -5.009 5.677 -0.362 1.00 42.52 H new ATOM 0 HD13 ILE A 80 -4.343 4.231 -1.156 1.00 42.52 H new ATOM 1208 N GLY A 81 -8.639 7.576 -2.585 1.00 4.12 N ATOM 1209 CA GLY A 81 -8.854 8.985 -2.869 1.00 21.03 C ATOM 1210 C GLY A 81 -9.326 9.739 -1.641 1.00 42.42 C ATOM 1211 O GLY A 81 -8.943 10.888 -1.421 1.00 60.45 O ATOM 0 H GLY A 81 -9.278 6.941 -3.064 1.00 4.12 H new ATOM 0 HA2 GLY A 81 -7.928 9.428 -3.234 1.00 21.03 H new ATOM 0 HA3 GLY A 81 -9.592 9.087 -3.665 1.00 21.03 H new ATOM 1215 N ALA A 82 -10.143 9.072 -0.832 1.00 44.43 N ATOM 1216 CA ALA A 82 -10.637 9.641 0.416 1.00 64.11 C ATOM 1217 C ALA A 82 -9.492 9.875 1.393 1.00 33.35 C ATOM 1218 O ALA A 82 -9.508 10.829 2.169 1.00 21.35 O ATOM 1219 CB ALA A 82 -11.685 8.720 1.039 1.00 54.41 C ATOM 0 H ALA A 82 -10.479 8.128 -1.022 1.00 44.43 H new ATOM 0 HA ALA A 82 -11.100 10.602 0.195 1.00 64.11 H new ATOM 0 HB1 ALA A 82 -12.046 9.157 1.970 1.00 54.41 H new ATOM 0 HB2 ALA A 82 -12.519 8.599 0.348 1.00 54.41 H new ATOM 0 HB3 ALA A 82 -11.239 7.747 1.244 1.00 54.41 H new ATOM 1225 N TYR A 83 -8.494 9.004 1.333 1.00 4.42 N ATOM 1226 CA TYR A 83 -7.351 9.074 2.232 1.00 65.12 C ATOM 1227 C TYR A 83 -6.258 9.994 1.691 1.00 54.21 C ATOM 1228 O TYR A 83 -5.766 10.869 2.404 1.00 10.22 O ATOM 1229 CB TYR A 83 -6.795 7.661 2.465 1.00 52.23 C ATOM 1230 CG TYR A 83 -5.408 7.641 3.070 1.00 2.22 C ATOM 1231 CD1 TYR A 83 -5.211 7.845 4.431 1.00 52.12 C ATOM 1232 CD2 TYR A 83 -4.293 7.422 2.270 1.00 53.11 C ATOM 1233 CE1 TYR A 83 -3.939 7.843 4.973 1.00 41.22 C ATOM 1234 CE2 TYR A 83 -3.024 7.414 2.808 1.00 12.21 C ATOM 1235 CZ TYR A 83 -2.851 7.623 4.158 1.00 54.53 C ATOM 1236 OH TYR A 83 -1.582 7.630 4.687 1.00 24.43 O ATOM 0 H TYR A 83 -8.454 8.234 0.665 1.00 4.42 H new ATOM 0 HA TYR A 83 -7.688 9.496 3.179 1.00 65.12 H new ATOM 0 HB2 TYR A 83 -7.475 7.117 3.121 1.00 52.23 H new ATOM 0 HB3 TYR A 83 -6.774 7.128 1.515 1.00 52.23 H new ATOM 0 HD1 TYR A 83 -6.063 8.007 5.074 1.00 52.12 H new ATOM 0 HD2 TYR A 83 -4.423 7.256 1.211 1.00 53.11 H new ATOM 0 HE1 TYR A 83 -3.799 8.013 6.030 1.00 41.22 H new ATOM 0 HE2 TYR A 83 -2.168 7.244 2.172 1.00 12.21 H new ATOM 0 HH TYR A 83 -1.568 7.098 5.510 1.00 24.43 H new ATOM 1245 N LEU A 84 -5.882 9.785 0.436 1.00 24.50 N ATOM 1246 CA LEU A 84 -4.770 10.503 -0.172 1.00 1.33 C ATOM 1247 C LEU A 84 -5.050 11.999 -0.256 1.00 22.31 C ATOM 1248 O LEU A 84 -4.200 12.820 0.097 1.00 61.30 O ATOM 1249 CB LEU A 84 -4.479 9.935 -1.570 1.00 4.35 C ATOM 1250 CG LEU A 84 -3.103 9.279 -1.736 1.00 53.21 C ATOM 1251 CD1 LEU A 84 -2.007 10.333 -1.763 1.00 21.52 C ATOM 1252 CD2 LEU A 84 -2.838 8.282 -0.621 1.00 2.24 C ATOM 0 H LEU A 84 -6.337 9.117 -0.186 1.00 24.50 H new ATOM 0 HA LEU A 84 -3.893 10.365 0.461 1.00 1.33 H new ATOM 0 HB2 LEU A 84 -5.246 9.199 -1.812 1.00 4.35 H new ATOM 0 HB3 LEU A 84 -4.569 10.741 -2.298 1.00 4.35 H new ATOM 0 HG LEU A 84 -3.100 8.744 -2.686 1.00 53.21 H new ATOM 0 HD11 LEU A 84 -1.038 9.848 -1.881 1.00 21.52 H new ATOM 0 HD12 LEU A 84 -2.177 11.013 -2.598 1.00 21.52 H new ATOM 0 HD13 LEU A 84 -2.019 10.895 -0.829 1.00 21.52 H new ATOM 0 HD21 LEU A 84 -1.856 7.831 -0.762 1.00 2.24 H new ATOM 0 HD22 LEU A 84 -2.867 8.795 0.340 1.00 2.24 H new ATOM 0 HD23 LEU A 84 -3.601 7.504 -0.640 1.00 2.24 H new ATOM 1263 N SER A 85 -6.244 12.347 -0.697 1.00 12.23 N ATOM 1264 CA SER A 85 -6.604 13.741 -0.873 1.00 13.44 C ATOM 1265 C SER A 85 -7.739 14.129 0.068 1.00 4.42 C ATOM 1266 O SER A 85 -8.232 13.293 0.823 1.00 0.00 O ATOM 1267 CB SER A 85 -6.984 14.001 -2.335 1.00 74.51 C ATOM 1268 OG SER A 85 -7.893 13.021 -2.809 1.00 11.13 O ATOM 0 H SER A 85 -6.980 11.684 -0.940 1.00 12.23 H new ATOM 0 HA SER A 85 -5.743 14.362 -0.624 1.00 13.44 H new ATOM 0 HB2 SER A 85 -7.431 14.991 -2.427 1.00 74.51 H new ATOM 0 HB3 SER A 85 -6.086 13.998 -2.953 1.00 74.51 H new ATOM 0 HG SER A 85 -8.213 12.480 -2.057 1.00 11.13 H new