USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl 145:sc= -0.252 (180deg=-1.29) USER MOD Set 1.2: A 61 MET CE :methyl -126:sc= -2.47! (180deg=-5.64!) USER MOD Set 1.3: A 70 MET CE :methyl 158:sc= -0.0196 (180deg=-0.201) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0.453 (180deg=-0.366) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -23:sc= 1.03 USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 1.12 (180deg=-0.0551) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0.612 (180deg=0.558) USER MOD Single : A 49 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.005) USER MOD Single : A 50 MET CE :methyl -160:sc= -1.39 (180deg=-2.07) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.4) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -0.301 (180deg=-2.09!) USER MOD Single : A 67 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.2) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 0.467 (180deg=0.339) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= -0.0653 (180deg=-0.353) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.598 -13.458 8.660 1.00 20.50 N ATOM 114 CA LYS A 7 0.759 -12.892 8.500 1.00 54.34 C ATOM 115 C LYS A 7 0.835 -11.950 7.282 1.00 22.53 C ATOM 116 O LYS A 7 1.567 -10.962 7.317 1.00 41.53 O ATOM 117 CB LYS A 7 1.807 -14.030 8.387 1.00 25.32 C ATOM 118 CG LYS A 7 1.914 -14.980 9.614 1.00 30.10 C ATOM 119 CD LYS A 7 2.673 -14.382 10.845 1.00 51.12 C ATOM 120 CE LYS A 7 1.843 -13.396 11.692 1.00 71.22 C ATOM 121 NZ LYS A 7 2.587 -12.918 12.888 1.00 31.32 N ATOM 0 HA LYS A 7 0.985 -12.299 9.386 1.00 54.34 H new ATOM 0 HB2 LYS A 7 1.571 -14.629 7.508 1.00 25.32 H new ATOM 0 HB3 LYS A 7 2.785 -13.581 8.213 1.00 25.32 H new ATOM 0 HG2 LYS A 7 0.908 -15.261 9.927 1.00 30.10 H new ATOM 0 HG3 LYS A 7 2.418 -15.895 9.304 1.00 30.10 H new ATOM 0 HD2 LYS A 7 3.004 -15.201 11.484 1.00 51.12 H new ATOM 0 HD3 LYS A 7 3.569 -13.872 10.491 1.00 51.12 H new ATOM 0 HE2 LYS A 7 1.559 -12.542 11.078 1.00 71.22 H new ATOM 0 HE3 LYS A 7 0.920 -13.881 12.010 1.00 71.22 H new ATOM 0 HZ1 LYS A 7 1.991 -12.258 13.427 1.00 31.32 H new ATOM 0 HZ2 LYS A 7 2.836 -13.729 13.489 1.00 31.32 H new ATOM 0 HZ3 LYS A 7 3.455 -12.432 12.585 1.00 31.32 H new ATOM 135 N LEU A 8 0.073 -12.263 6.216 1.00 75.21 N ATOM 136 CA LEU A 8 -0.078 -11.354 5.053 1.00 41.14 C ATOM 137 C LEU A 8 -0.752 -10.026 5.488 1.00 34.13 C ATOM 138 O LEU A 8 -0.282 -8.966 5.126 1.00 74.24 O ATOM 139 CB LEU A 8 -0.869 -12.024 3.879 1.00 52.52 C ATOM 140 CG LEU A 8 -0.080 -13.029 2.964 1.00 43.21 C ATOM 141 CD1 LEU A 8 1.127 -12.346 2.279 1.00 22.41 C ATOM 142 CD2 LEU A 8 0.350 -14.304 3.732 1.00 2.52 C ATOM 0 H LEU A 8 -0.448 -13.136 6.132 1.00 75.21 H new ATOM 0 HA LEU A 8 0.921 -11.134 4.678 1.00 41.14 H new ATOM 0 HB2 LEU A 8 -1.722 -12.553 4.305 1.00 52.52 H new ATOM 0 HB3 LEU A 8 -1.268 -11.232 3.245 1.00 52.52 H new ATOM 0 HG LEU A 8 -0.766 -13.348 2.180 1.00 43.21 H new ATOM 0 HD11 LEU A 8 1.649 -13.071 1.654 1.00 22.41 H new ATOM 0 HD12 LEU A 8 0.775 -11.521 1.660 1.00 22.41 H new ATOM 0 HD13 LEU A 8 1.809 -11.965 3.039 1.00 22.41 H new ATOM 0 HD21 LEU A 8 0.892 -14.969 3.059 1.00 2.52 H new ATOM 0 HD22 LEU A 8 0.995 -14.026 4.565 1.00 2.52 H new ATOM 0 HD23 LEU A 8 -0.534 -14.815 4.113 1.00 2.52 H new ATOM 154 N LEU A 9 -1.824 -10.113 6.310 1.00 2.14 N ATOM 155 CA LEU A 9 -2.557 -8.918 6.832 1.00 32.54 C ATOM 156 C LEU A 9 -1.654 -8.045 7.739 1.00 34.34 C ATOM 157 O LEU A 9 -1.745 -6.816 7.725 1.00 33.02 O ATOM 158 CB LEU A 9 -3.805 -9.343 7.646 1.00 50.40 C ATOM 159 CG LEU A 9 -4.809 -10.319 6.958 1.00 44.21 C ATOM 160 CD1 LEU A 9 -6.033 -10.561 7.863 1.00 4.02 C ATOM 161 CD2 LEU A 9 -5.222 -9.841 5.542 1.00 24.04 C ATOM 0 H LEU A 9 -2.208 -11.001 6.632 1.00 2.14 H new ATOM 0 HA LEU A 9 -2.862 -8.336 5.962 1.00 32.54 H new ATOM 0 HB2 LEU A 9 -3.463 -9.808 8.571 1.00 50.40 H new ATOM 0 HB3 LEU A 9 -4.349 -8.441 7.925 1.00 50.40 H new ATOM 0 HG LEU A 9 -4.298 -11.271 6.817 1.00 44.21 H new ATOM 0 HD11 LEU A 9 -6.723 -11.244 7.367 1.00 4.02 H new ATOM 0 HD12 LEU A 9 -5.707 -10.997 8.807 1.00 4.02 H new ATOM 0 HD13 LEU A 9 -6.536 -9.613 8.055 1.00 4.02 H new ATOM 0 HD21 LEU A 9 -5.921 -10.555 5.107 1.00 24.04 H new ATOM 0 HD22 LEU A 9 -5.698 -8.863 5.613 1.00 24.04 H new ATOM 0 HD23 LEU A 9 -4.337 -9.768 4.910 1.00 24.04 H new ATOM 173 N GLU A 10 -0.827 -8.729 8.549 1.00 61.44 N ATOM 174 CA GLU A 10 0.199 -8.111 9.422 1.00 22.24 C ATOM 175 C GLU A 10 1.235 -7.328 8.579 1.00 33.22 C ATOM 176 O GLU A 10 1.614 -6.197 8.911 1.00 75.05 O ATOM 177 CB GLU A 10 0.901 -9.236 10.245 1.00 24.33 C ATOM 178 CG GLU A 10 2.010 -8.774 11.219 1.00 44.44 C ATOM 179 CD GLU A 10 1.511 -7.806 12.312 1.00 15.42 C ATOM 180 OE1 GLU A 10 0.699 -8.230 13.158 1.00 23.42 O ATOM 181 OE2 GLU A 10 1.940 -6.632 12.343 1.00 65.00 O ATOM 0 H GLU A 10 -0.850 -9.746 8.620 1.00 61.44 H new ATOM 0 HA GLU A 10 -0.278 -7.404 10.100 1.00 22.24 H new ATOM 0 HB2 GLU A 10 0.141 -9.768 10.818 1.00 24.33 H new ATOM 0 HB3 GLU A 10 1.334 -9.953 9.547 1.00 24.33 H new ATOM 0 HG2 GLU A 10 2.451 -9.650 11.695 1.00 44.44 H new ATOM 0 HG3 GLU A 10 2.802 -8.288 10.650 1.00 44.44 H new ATOM 188 N LYS A 11 1.652 -7.959 7.465 1.00 23.02 N ATOM 189 CA LYS A 11 2.624 -7.392 6.511 1.00 40.04 C ATOM 190 C LYS A 11 1.992 -6.206 5.726 1.00 53.44 C ATOM 191 O LYS A 11 2.682 -5.233 5.414 1.00 50.44 O ATOM 192 CB LYS A 11 3.120 -8.523 5.557 1.00 2.10 C ATOM 193 CG LYS A 11 4.405 -8.215 4.755 1.00 24.31 C ATOM 194 CD LYS A 11 5.648 -7.982 5.646 1.00 74.54 C ATOM 195 CE LYS A 11 6.945 -7.855 4.823 1.00 4.40 C ATOM 196 NZ LYS A 11 6.861 -6.793 3.789 1.00 40.12 N ATOM 0 H LYS A 11 1.320 -8.886 7.199 1.00 23.02 H new ATOM 0 HA LYS A 11 3.483 -6.993 7.050 1.00 40.04 H new ATOM 0 HB2 LYS A 11 3.291 -9.422 6.149 1.00 2.10 H new ATOM 0 HB3 LYS A 11 2.321 -8.753 4.852 1.00 2.10 H new ATOM 0 HG2 LYS A 11 4.606 -9.042 4.074 1.00 24.31 H new ATOM 0 HG3 LYS A 11 4.237 -7.330 4.141 1.00 24.31 H new ATOM 0 HD2 LYS A 11 5.505 -7.076 6.235 1.00 74.54 H new ATOM 0 HD3 LYS A 11 5.747 -8.808 6.350 1.00 74.54 H new ATOM 0 HE2 LYS A 11 7.777 -7.640 5.493 1.00 4.40 H new ATOM 0 HE3 LYS A 11 7.161 -8.809 4.342 1.00 4.40 H new ATOM 0 HZ1 LYS A 11 6.933 -7.222 2.844 1.00 40.12 H new ATOM 0 HZ2 LYS A 11 5.952 -6.296 3.875 1.00 40.12 H new ATOM 0 HZ3 LYS A 11 7.639 -6.116 3.922 1.00 40.12 H new ATOM 210 N LEU A 12 0.666 -6.301 5.425 1.00 14.14 N ATOM 211 CA LEU A 12 -0.113 -5.188 4.815 1.00 14.11 C ATOM 212 C LEU A 12 -0.157 -3.976 5.766 1.00 53.55 C ATOM 213 O LEU A 12 0.157 -2.874 5.360 1.00 13.41 O ATOM 214 CB LEU A 12 -1.586 -5.595 4.423 1.00 22.34 C ATOM 215 CG LEU A 12 -1.818 -6.057 2.938 1.00 23.42 C ATOM 216 CD1 LEU A 12 -1.347 -7.494 2.687 1.00 72.34 C ATOM 217 CD2 LEU A 12 -3.289 -5.878 2.505 1.00 70.21 C ATOM 0 H LEU A 12 0.114 -7.141 5.596 1.00 14.14 H new ATOM 0 HA LEU A 12 0.407 -4.929 3.893 1.00 14.11 H new ATOM 0 HB2 LEU A 12 -1.904 -6.401 5.084 1.00 22.34 H new ATOM 0 HB3 LEU A 12 -2.238 -4.745 4.621 1.00 22.34 H new ATOM 0 HG LEU A 12 -1.202 -5.404 2.319 1.00 23.42 H new ATOM 0 HD11 LEU A 12 -1.531 -7.761 1.646 1.00 72.34 H new ATOM 0 HD12 LEU A 12 -0.280 -7.569 2.898 1.00 72.34 H new ATOM 0 HD13 LEU A 12 -1.894 -8.175 3.338 1.00 72.34 H new ATOM 0 HD21 LEU A 12 -3.407 -6.209 1.473 1.00 70.21 H new ATOM 0 HD22 LEU A 12 -3.934 -6.472 3.153 1.00 70.21 H new ATOM 0 HD23 LEU A 12 -3.566 -4.827 2.583 1.00 70.21 H new ATOM 229 N GLU A 13 -0.551 -4.210 7.034 1.00 54.14 N ATOM 230 CA GLU A 13 -0.715 -3.128 8.036 1.00 63.34 C ATOM 231 C GLU A 13 0.613 -2.370 8.268 1.00 22.34 C ATOM 232 O GLU A 13 0.610 -1.162 8.488 1.00 32.53 O ATOM 233 CB GLU A 13 -1.264 -3.698 9.372 1.00 5.54 C ATOM 234 CG GLU A 13 -1.606 -2.622 10.432 1.00 1.22 C ATOM 235 CD GLU A 13 -2.109 -3.215 11.754 1.00 71.24 C ATOM 236 OE1 GLU A 13 -1.275 -3.618 12.592 1.00 41.15 O ATOM 237 OE2 GLU A 13 -3.341 -3.306 11.954 1.00 1.32 O ATOM 0 H GLU A 13 -0.763 -5.141 7.393 1.00 54.14 H new ATOM 0 HA GLU A 13 -1.439 -2.415 7.642 1.00 63.34 H new ATOM 0 HB2 GLU A 13 -2.160 -4.283 9.163 1.00 5.54 H new ATOM 0 HB3 GLU A 13 -0.527 -4.383 9.791 1.00 5.54 H new ATOM 0 HG2 GLU A 13 -0.720 -2.018 10.626 1.00 1.22 H new ATOM 0 HG3 GLU A 13 -2.366 -1.953 10.029 1.00 1.22 H new ATOM 244 N LYS A 14 1.742 -3.108 8.207 1.00 63.23 N ATOM 245 CA LYS A 14 3.099 -2.520 8.267 1.00 25.41 C ATOM 246 C LYS A 14 3.378 -1.590 7.066 1.00 71.35 C ATOM 247 O LYS A 14 3.752 -0.431 7.264 1.00 2.34 O ATOM 248 CB LYS A 14 4.176 -3.646 8.365 1.00 65.34 C ATOM 249 CG LYS A 14 4.320 -4.297 9.773 1.00 11.21 C ATOM 250 CD LYS A 14 5.428 -3.649 10.659 1.00 75.53 C ATOM 251 CE LYS A 14 5.206 -2.158 10.979 1.00 71.41 C ATOM 252 NZ LYS A 14 6.327 -1.573 11.760 1.00 35.43 N ATOM 0 H LYS A 14 1.740 -4.124 8.115 1.00 63.23 H new ATOM 0 HA LYS A 14 3.154 -1.906 9.166 1.00 25.41 H new ATOM 0 HB2 LYS A 14 3.932 -4.426 7.644 1.00 65.34 H new ATOM 0 HB3 LYS A 14 5.141 -3.232 8.072 1.00 65.34 H new ATOM 0 HG2 LYS A 14 3.365 -4.227 10.294 1.00 11.21 H new ATOM 0 HG3 LYS A 14 4.540 -5.358 9.651 1.00 11.21 H new ATOM 0 HD2 LYS A 14 5.494 -4.202 11.596 1.00 75.53 H new ATOM 0 HD3 LYS A 14 6.388 -3.759 10.155 1.00 75.53 H new ATOM 0 HE2 LYS A 14 5.087 -1.603 10.048 1.00 71.41 H new ATOM 0 HE3 LYS A 14 4.278 -2.044 11.539 1.00 71.41 H new ATOM 0 HZ1 LYS A 14 6.131 -0.569 11.950 1.00 35.43 H new ATOM 0 HZ2 LYS A 14 6.426 -2.083 12.661 1.00 35.43 H new ATOM 0 HZ3 LYS A 14 7.210 -1.656 11.216 1.00 35.43 H new ATOM 266 N ILE A 15 3.177 -2.109 5.830 1.00 4.10 N ATOM 267 CA ILE A 15 3.381 -1.325 4.583 1.00 34.22 C ATOM 268 C ILE A 15 2.480 -0.070 4.575 1.00 22.35 C ATOM 269 O ILE A 15 2.982 1.036 4.561 1.00 74.12 O ATOM 270 CB ILE A 15 3.103 -2.198 3.288 1.00 31.21 C ATOM 271 CG1 ILE A 15 4.089 -3.405 3.214 1.00 50.35 C ATOM 272 CG2 ILE A 15 3.188 -1.346 1.982 1.00 23.14 C ATOM 273 CD1 ILE A 15 3.811 -4.372 2.081 1.00 62.33 C ATOM 0 H ILE A 15 2.873 -3.069 5.668 1.00 4.10 H new ATOM 0 HA ILE A 15 4.426 -1.016 4.563 1.00 34.22 H new ATOM 0 HB ILE A 15 2.085 -2.579 3.368 1.00 31.21 H new ATOM 0 HG12 ILE A 15 5.104 -3.023 3.108 1.00 50.35 H new ATOM 0 HG13 ILE A 15 4.050 -3.949 4.158 1.00 50.35 H new ATOM 0 HG21 ILE A 15 2.991 -1.982 1.119 1.00 23.14 H new ATOM 0 HG22 ILE A 15 2.448 -0.547 2.020 1.00 23.14 H new ATOM 0 HG23 ILE A 15 4.185 -0.913 1.894 1.00 23.14 H new ATOM 0 HD11 ILE A 15 4.543 -5.179 2.104 1.00 62.33 H new ATOM 0 HD12 ILE A 15 2.809 -4.787 2.194 1.00 62.33 H new ATOM 0 HD13 ILE A 15 3.881 -3.846 1.129 1.00 62.33 H new ATOM 285 N LEU A 16 1.162 -0.289 4.689 1.00 44.21 N ATOM 286 CA LEU A 16 0.115 0.766 4.638 1.00 3.24 C ATOM 287 C LEU A 16 0.347 1.893 5.687 1.00 33.33 C ATOM 288 O LEU A 16 0.223 3.081 5.364 1.00 23.12 O ATOM 289 CB LEU A 16 -1.296 0.106 4.816 1.00 15.52 C ATOM 290 CG LEU A 16 -1.957 -0.553 3.537 1.00 53.05 C ATOM 291 CD1 LEU A 16 -0.991 -1.478 2.751 1.00 5.45 C ATOM 292 CD2 LEU A 16 -3.250 -1.321 3.928 1.00 24.34 C ATOM 0 H LEU A 16 0.776 -1.223 4.823 1.00 44.21 H new ATOM 0 HA LEU A 16 0.171 1.249 3.662 1.00 3.24 H new ATOM 0 HB2 LEU A 16 -1.215 -0.661 5.586 1.00 15.52 H new ATOM 0 HB3 LEU A 16 -1.979 0.867 5.194 1.00 15.52 H new ATOM 0 HG LEU A 16 -2.210 0.267 2.865 1.00 53.05 H new ATOM 0 HD11 LEU A 16 -1.509 -1.896 1.888 1.00 5.45 H new ATOM 0 HD12 LEU A 16 -0.130 -0.902 2.413 1.00 5.45 H new ATOM 0 HD13 LEU A 16 -0.655 -2.288 3.399 1.00 5.45 H new ATOM 0 HD21 LEU A 16 -3.691 -1.768 3.037 1.00 24.34 H new ATOM 0 HD22 LEU A 16 -3.005 -2.106 4.644 1.00 24.34 H new ATOM 0 HD23 LEU A 16 -3.962 -0.629 4.378 1.00 24.34 H new ATOM 304 N ASP A 17 0.703 1.504 6.928 1.00 3.51 N ATOM 305 CA ASP A 17 1.040 2.465 8.013 1.00 75.50 C ATOM 306 C ASP A 17 2.272 3.327 7.641 1.00 44.22 C ATOM 307 O ASP A 17 2.261 4.543 7.808 1.00 54.23 O ATOM 308 CB ASP A 17 1.301 1.704 9.340 1.00 24.34 C ATOM 309 CG ASP A 17 1.688 2.621 10.517 1.00 21.31 C ATOM 310 OD1 ASP A 17 0.793 3.223 11.136 1.00 61.20 O ATOM 311 OD2 ASP A 17 2.893 2.765 10.809 1.00 34.03 O ATOM 0 H ASP A 17 0.767 0.526 7.211 1.00 3.51 H new ATOM 0 HA ASP A 17 0.190 3.134 8.145 1.00 75.50 H new ATOM 0 HB2 ASP A 17 0.406 1.142 9.608 1.00 24.34 H new ATOM 0 HB3 ASP A 17 2.098 0.977 9.181 1.00 24.34 H new ATOM 316 N GLU A 18 3.324 2.670 7.133 1.00 62.15 N ATOM 317 CA GLU A 18 4.597 3.334 6.779 1.00 22.22 C ATOM 318 C GLU A 18 4.520 4.094 5.430 1.00 34.15 C ATOM 319 O GLU A 18 5.335 4.985 5.183 1.00 4.23 O ATOM 320 CB GLU A 18 5.751 2.304 6.809 1.00 11.23 C ATOM 321 CG GLU A 18 6.020 1.742 8.226 1.00 1.21 C ATOM 322 CD GLU A 18 7.102 0.650 8.280 1.00 45.33 C ATOM 323 OE1 GLU A 18 8.306 0.995 8.251 1.00 33.11 O ATOM 324 OE2 GLU A 18 6.758 -0.549 8.381 1.00 41.24 O ATOM 0 H GLU A 18 3.322 1.666 6.954 1.00 62.15 H new ATOM 0 HA GLU A 18 4.799 4.099 7.528 1.00 22.22 H new ATOM 0 HB2 GLU A 18 5.514 1.480 6.136 1.00 11.23 H new ATOM 0 HB3 GLU A 18 6.660 2.773 6.431 1.00 11.23 H new ATOM 0 HG2 GLU A 18 6.316 2.563 8.879 1.00 1.21 H new ATOM 0 HG3 GLU A 18 5.091 1.336 8.625 1.00 1.21 H new ATOM 331 N VAL A 19 3.557 3.738 4.551 1.00 5.12 N ATOM 332 CA VAL A 19 3.302 4.494 3.298 1.00 63.44 C ATOM 333 C VAL A 19 2.589 5.824 3.626 1.00 51.12 C ATOM 334 O VAL A 19 2.946 6.859 3.075 1.00 53.13 O ATOM 335 CB VAL A 19 2.478 3.670 2.220 1.00 61.12 C ATOM 336 CG1 VAL A 19 2.173 4.521 0.964 1.00 2.15 C ATOM 337 CG2 VAL A 19 3.229 2.386 1.794 1.00 52.15 C ATOM 0 H VAL A 19 2.943 2.934 4.683 1.00 5.12 H new ATOM 0 HA VAL A 19 4.273 4.694 2.846 1.00 63.44 H new ATOM 0 HB VAL A 19 1.537 3.391 2.695 1.00 61.12 H new ATOM 0 HG11 VAL A 19 1.608 3.924 0.248 1.00 2.15 H new ATOM 0 HG12 VAL A 19 1.588 5.395 1.250 1.00 2.15 H new ATOM 0 HG13 VAL A 19 3.109 4.845 0.508 1.00 2.15 H new ATOM 0 HG21 VAL A 19 2.637 1.846 1.055 1.00 52.15 H new ATOM 0 HG22 VAL A 19 4.192 2.655 1.360 1.00 52.15 H new ATOM 0 HG23 VAL A 19 3.388 1.751 2.666 1.00 52.15 H new ATOM 347 N THR A 20 1.598 5.786 4.554 1.00 35.30 N ATOM 348 CA THR A 20 0.937 7.019 5.074 1.00 2.33 C ATOM 349 C THR A 20 1.947 7.887 5.872 1.00 60.24 C ATOM 350 O THR A 20 1.934 9.113 5.776 1.00 65.15 O ATOM 351 CB THR A 20 -0.304 6.716 5.996 1.00 40.54 C ATOM 352 OG1 THR A 20 0.101 6.016 7.181 1.00 11.52 O ATOM 353 CG2 THR A 20 -1.385 5.887 5.285 1.00 54.42 C ATOM 0 H THR A 20 1.238 4.921 4.958 1.00 35.30 H new ATOM 0 HA THR A 20 0.579 7.556 4.196 1.00 2.33 H new ATOM 0 HB THR A 20 -0.730 7.686 6.254 1.00 40.54 H new ATOM 0 HG1 THR A 20 0.952 5.559 7.016 1.00 11.52 H new ATOM 0 HG21 THR A 20 -2.215 5.709 5.968 1.00 54.42 H new ATOM 0 HG22 THR A 20 -1.744 6.431 4.411 1.00 54.42 H new ATOM 0 HG23 THR A 20 -0.963 4.932 4.970 1.00 54.42 H new ATOM 361 N ASP A 21 2.834 7.218 6.639 1.00 74.25 N ATOM 362 CA ASP A 21 3.881 7.885 7.454 1.00 23.20 C ATOM 363 C ASP A 21 4.910 8.624 6.552 1.00 2.35 C ATOM 364 O ASP A 21 5.168 9.821 6.728 1.00 61.52 O ATOM 365 CB ASP A 21 4.589 6.826 8.347 1.00 63.14 C ATOM 366 CG ASP A 21 5.582 7.426 9.358 1.00 72.41 C ATOM 367 OD1 ASP A 21 5.152 7.836 10.456 1.00 13.40 O ATOM 368 OD2 ASP A 21 6.795 7.492 9.065 1.00 43.24 O ATOM 0 H ASP A 21 2.847 6.201 6.713 1.00 74.25 H new ATOM 0 HA ASP A 21 3.409 8.635 8.089 1.00 23.20 H new ATOM 0 HB2 ASP A 21 3.833 6.258 8.889 1.00 63.14 H new ATOM 0 HB3 ASP A 21 5.119 6.121 7.707 1.00 63.14 H new ATOM 373 N GLY A 22 5.459 7.893 5.564 1.00 21.34 N ATOM 374 CA GLY A 22 6.474 8.428 4.639 1.00 15.33 C ATOM 375 C GLY A 22 5.890 9.011 3.342 1.00 70.13 C ATOM 376 O GLY A 22 6.599 9.126 2.343 1.00 44.21 O ATOM 0 H GLY A 22 5.213 6.919 5.385 1.00 21.34 H new ATOM 0 HA2 GLY A 22 7.044 9.204 5.150 1.00 15.33 H new ATOM 0 HA3 GLY A 22 7.175 7.633 4.385 1.00 15.33 H new ATOM 380 N ALA A 23 4.595 9.366 3.361 1.00 14.43 N ATOM 381 CA ALA A 23 3.895 10.009 2.224 1.00 0.43 C ATOM 382 C ALA A 23 4.227 11.517 2.067 1.00 73.05 C ATOM 383 O ALA A 23 4.665 12.161 3.030 1.00 22.12 O ATOM 384 CB ALA A 23 2.382 9.860 2.426 1.00 70.33 C ATOM 0 H ALA A 23 3.994 9.216 4.171 1.00 14.43 H new ATOM 0 HA ALA A 23 4.236 9.509 1.318 1.00 0.43 H new ATOM 0 HB1 ALA A 23 1.856 10.330 1.595 1.00 70.33 H new ATOM 0 HB2 ALA A 23 2.123 8.802 2.468 1.00 70.33 H new ATOM 0 HB3 ALA A 23 2.090 10.342 3.359 1.00 70.33 H new ATOM 390 N PRO A 24 4.018 12.099 0.835 1.00 40.12 N ATOM 391 CA PRO A 24 3.819 13.560 0.666 1.00 3.53 C ATOM 392 C PRO A 24 2.559 14.041 1.449 1.00 31.33 C ATOM 393 O PRO A 24 1.494 13.433 1.337 1.00 73.21 O ATOM 394 CB PRO A 24 3.650 13.738 -0.876 1.00 15.11 C ATOM 395 CG PRO A 24 3.331 12.366 -1.400 1.00 53.14 C ATOM 396 CD PRO A 24 4.043 11.403 -0.481 1.00 22.43 C ATOM 0 HA PRO A 24 4.645 14.153 1.058 1.00 3.53 H new ATOM 0 HB2 PRO A 24 2.851 14.443 -1.105 1.00 15.11 H new ATOM 0 HB3 PRO A 24 4.560 14.130 -1.329 1.00 15.11 H new ATOM 0 HG2 PRO A 24 2.256 12.186 -1.399 1.00 53.14 H new ATOM 0 HG3 PRO A 24 3.672 12.251 -2.429 1.00 53.14 H new ATOM 0 HD2 PRO A 24 3.534 10.440 -0.436 1.00 22.43 H new ATOM 0 HD3 PRO A 24 5.063 11.209 -0.814 1.00 22.43 H new ATOM 404 N ASP A 25 2.711 15.141 2.210 1.00 41.15 N ATOM 405 CA ASP A 25 1.728 15.616 3.232 1.00 62.21 C ATOM 406 C ASP A 25 0.265 15.719 2.711 1.00 32.55 C ATOM 407 O ASP A 25 -0.640 15.074 3.248 1.00 21.44 O ATOM 408 CB ASP A 25 2.189 16.992 3.776 1.00 11.35 C ATOM 409 CG ASP A 25 3.600 16.956 4.382 1.00 25.43 C ATOM 410 OD1 ASP A 25 4.587 17.006 3.610 1.00 52.22 O ATOM 411 OD2 ASP A 25 3.733 16.861 5.623 1.00 24.14 O ATOM 0 H ASP A 25 3.531 15.743 2.139 1.00 41.15 H new ATOM 0 HA ASP A 25 1.711 14.864 4.021 1.00 62.21 H new ATOM 0 HB2 ASP A 25 2.165 17.723 2.967 1.00 11.35 H new ATOM 0 HB3 ASP A 25 1.483 17.332 4.533 1.00 11.35 H new ATOM 416 N GLU A 26 0.055 16.529 1.664 1.00 42.43 N ATOM 417 CA GLU A 26 -1.299 16.788 1.088 1.00 3.32 C ATOM 418 C GLU A 26 -1.853 15.579 0.269 1.00 41.52 C ATOM 419 O GLU A 26 -3.071 15.412 0.149 1.00 63.01 O ATOM 420 CB GLU A 26 -1.303 18.118 0.248 1.00 15.51 C ATOM 421 CG GLU A 26 -0.013 18.447 -0.549 1.00 22.23 C ATOM 422 CD GLU A 26 0.446 17.333 -1.510 1.00 2.01 C ATOM 423 OE1 GLU A 26 -0.155 17.195 -2.599 1.00 1.00 O ATOM 424 OE2 GLU A 26 1.387 16.576 -1.166 1.00 74.21 O ATOM 0 H GLU A 26 0.805 17.027 1.185 1.00 42.43 H new ATOM 0 HA GLU A 26 -1.983 16.915 1.927 1.00 3.32 H new ATOM 0 HB2 GLU A 26 -2.134 18.073 -0.455 1.00 15.51 H new ATOM 0 HB3 GLU A 26 -1.504 18.947 0.926 1.00 15.51 H new ATOM 0 HG2 GLU A 26 -0.178 19.359 -1.123 1.00 22.23 H new ATOM 0 HG3 GLU A 26 0.792 18.655 0.156 1.00 22.23 H new ATOM 431 N ALA A 27 -0.944 14.747 -0.280 1.00 5.03 N ATOM 432 CA ALA A 27 -1.310 13.530 -1.057 1.00 23.33 C ATOM 433 C ALA A 27 -1.508 12.291 -0.142 1.00 73.11 C ATOM 434 O ALA A 27 -1.978 11.244 -0.601 1.00 54.12 O ATOM 435 CB ALA A 27 -0.240 13.255 -2.128 1.00 14.40 C ATOM 0 H ALA A 27 0.062 14.893 -0.201 1.00 5.03 H new ATOM 0 HA ALA A 27 -2.267 13.718 -1.545 1.00 23.33 H new ATOM 0 HB1 ALA A 27 -0.512 12.364 -2.694 1.00 14.40 H new ATOM 0 HB2 ALA A 27 -0.174 14.108 -2.804 1.00 14.40 H new ATOM 0 HB3 ALA A 27 0.725 13.098 -1.646 1.00 14.40 H new ATOM 441 N ARG A 28 -1.149 12.440 1.156 1.00 13.02 N ATOM 442 CA ARG A 28 -1.284 11.377 2.187 1.00 1.24 C ATOM 443 C ARG A 28 -2.748 10.892 2.343 1.00 2.11 C ATOM 444 O ARG A 28 -2.983 9.710 2.608 1.00 22.30 O ATOM 445 CB ARG A 28 -0.757 11.906 3.552 1.00 31.41 C ATOM 446 CG ARG A 28 -0.634 10.839 4.666 1.00 50.35 C ATOM 447 CD ARG A 28 -0.269 11.442 6.037 1.00 34.34 C ATOM 448 NE ARG A 28 -1.364 12.249 6.595 1.00 71.00 N ATOM 449 CZ ARG A 28 -1.326 12.899 7.737 1.00 22.24 C ATOM 450 NH1 ARG A 28 -0.273 12.882 8.495 1.00 42.23 N ATOM 451 NH2 ARG A 28 -2.372 13.545 8.123 1.00 73.44 N ATOM 0 H ARG A 28 -0.755 13.307 1.522 1.00 13.02 H new ATOM 0 HA ARG A 28 -0.691 10.523 1.859 1.00 1.24 H new ATOM 0 HB2 ARG A 28 0.222 12.359 3.395 1.00 31.41 H new ATOM 0 HB3 ARG A 28 -1.422 12.696 3.899 1.00 31.41 H new ATOM 0 HG2 ARG A 28 -1.578 10.300 4.751 1.00 50.35 H new ATOM 0 HG3 ARG A 28 0.125 10.110 4.382 1.00 50.35 H new ATOM 0 HD2 ARG A 28 -0.021 10.639 6.731 1.00 34.34 H new ATOM 0 HD3 ARG A 28 0.622 12.062 5.935 1.00 34.34 H new ATOM 0 HE ARG A 28 -2.225 12.310 6.051 1.00 71.00 H new ATOM 0 HH11 ARG A 28 0.552 12.355 8.209 1.00 42.23 H new ATOM 0 HH12 ARG A 28 -0.271 13.395 9.376 1.00 42.23 H new ATOM 0 HH21 ARG A 28 -3.212 13.547 7.545 1.00 73.44 H new ATOM 0 HH22 ARG A 28 -2.359 14.055 9.006 1.00 73.44 H new ATOM 465 N GLU A 29 -3.714 11.825 2.151 1.00 43.25 N ATOM 466 CA GLU A 29 -5.174 11.542 2.244 1.00 72.44 C ATOM 467 C GLU A 29 -5.593 10.330 1.367 1.00 11.35 C ATOM 468 O GLU A 29 -6.380 9.494 1.803 1.00 41.24 O ATOM 469 CB GLU A 29 -6.005 12.791 1.819 1.00 64.32 C ATOM 470 CG GLU A 29 -5.698 13.300 0.384 1.00 71.20 C ATOM 471 CD GLU A 29 -6.872 14.020 -0.290 1.00 11.32 C ATOM 472 OE1 GLU A 29 -7.792 13.328 -0.780 1.00 3.24 O ATOM 473 OE2 GLU A 29 -6.871 15.266 -0.372 1.00 71.55 O ATOM 0 H GLU A 29 -3.505 12.798 1.927 1.00 43.25 H new ATOM 0 HA GLU A 29 -5.379 11.298 3.286 1.00 72.44 H new ATOM 0 HB2 GLU A 29 -7.066 12.549 1.888 1.00 64.32 H new ATOM 0 HB3 GLU A 29 -5.816 13.598 2.527 1.00 64.32 H new ATOM 0 HG2 GLU A 29 -4.846 13.978 0.425 1.00 71.20 H new ATOM 0 HG3 GLU A 29 -5.402 12.453 -0.235 1.00 71.20 H new ATOM 480 N ARG A 30 -5.025 10.255 0.139 1.00 0.11 N ATOM 481 CA ARG A 30 -5.279 9.166 -0.830 1.00 44.43 C ATOM 482 C ARG A 30 -4.981 7.797 -0.198 1.00 31.31 C ATOM 483 O ARG A 30 -5.788 6.872 -0.283 1.00 63.41 O ATOM 484 CB ARG A 30 -4.389 9.378 -2.093 1.00 22.11 C ATOM 485 CG ARG A 30 -4.435 8.239 -3.151 1.00 42.55 C ATOM 486 CD ARG A 30 -5.812 8.081 -3.819 1.00 14.34 C ATOM 487 NE ARG A 30 -6.229 9.322 -4.505 1.00 62.42 N ATOM 488 CZ ARG A 30 -6.499 9.445 -5.785 1.00 32.53 C ATOM 489 NH1 ARG A 30 -6.410 8.441 -6.595 1.00 60.12 N ATOM 490 NH2 ARG A 30 -6.848 10.597 -6.251 1.00 75.24 N ATOM 0 H ARG A 30 -4.371 10.957 -0.208 1.00 0.11 H new ATOM 0 HA ARG A 30 -6.330 9.187 -1.118 1.00 44.43 H new ATOM 0 HB2 ARG A 30 -4.690 10.308 -2.575 1.00 22.11 H new ATOM 0 HB3 ARG A 30 -3.356 9.506 -1.769 1.00 22.11 H new ATOM 0 HG2 ARG A 30 -3.687 8.436 -3.919 1.00 42.55 H new ATOM 0 HG3 ARG A 30 -4.161 7.298 -2.673 1.00 42.55 H new ATOM 0 HD2 ARG A 30 -5.777 7.262 -4.537 1.00 14.34 H new ATOM 0 HD3 ARG A 30 -6.554 7.814 -3.066 1.00 14.34 H new ATOM 0 HE ARG A 30 -6.315 10.161 -3.931 1.00 62.42 H new ATOM 0 HH11 ARG A 30 -6.125 7.527 -6.244 1.00 60.12 H new ATOM 0 HH12 ARG A 30 -6.625 8.563 -7.584 1.00 60.12 H new ATOM 0 HH21 ARG A 30 -6.912 11.401 -5.627 1.00 75.24 H new ATOM 0 HH22 ARG A 30 -7.060 10.703 -7.243 1.00 75.24 H new ATOM 504 N ILE A 31 -3.833 7.730 0.478 1.00 24.31 N ATOM 505 CA ILE A 31 -3.305 6.491 1.062 1.00 43.31 C ATOM 506 C ILE A 31 -4.096 6.090 2.319 1.00 43.11 C ATOM 507 O ILE A 31 -4.419 4.930 2.489 1.00 24.44 O ATOM 508 CB ILE A 31 -1.787 6.652 1.428 1.00 2.34 C ATOM 509 CG1 ILE A 31 -1.020 7.337 0.256 1.00 25.14 C ATOM 510 CG2 ILE A 31 -1.162 5.277 1.784 1.00 3.40 C ATOM 511 CD1 ILE A 31 0.419 7.692 0.542 1.00 64.03 C ATOM 0 H ILE A 31 -3.236 8.541 0.638 1.00 24.31 H new ATOM 0 HA ILE A 31 -3.412 5.705 0.314 1.00 43.31 H new ATOM 0 HB ILE A 31 -1.703 7.291 2.307 1.00 2.34 H new ATOM 0 HG12 ILE A 31 -1.048 6.675 -0.610 1.00 25.14 H new ATOM 0 HG13 ILE A 31 -1.552 8.247 -0.021 1.00 25.14 H new ATOM 0 HG21 ILE A 31 -0.110 5.410 2.035 1.00 3.40 H new ATOM 0 HG22 ILE A 31 -1.687 4.849 2.638 1.00 3.40 H new ATOM 0 HG23 ILE A 31 -1.250 4.605 0.930 1.00 3.40 H new ATOM 0 HD11 ILE A 31 0.859 8.162 -0.337 1.00 64.03 H new ATOM 0 HD12 ILE A 31 0.463 8.383 1.384 1.00 64.03 H new ATOM 0 HD13 ILE A 31 0.975 6.787 0.786 1.00 64.03 H new ATOM 523 N GLU A 32 -4.387 7.074 3.189 1.00 24.01 N ATOM 524 CA GLU A 32 -5.115 6.850 4.464 1.00 4.23 C ATOM 525 C GLU A 32 -6.541 6.297 4.229 1.00 60.32 C ATOM 526 O GLU A 32 -6.952 5.313 4.860 1.00 54.24 O ATOM 527 CB GLU A 32 -5.190 8.173 5.266 1.00 63.41 C ATOM 528 CG GLU A 32 -3.818 8.766 5.655 1.00 32.25 C ATOM 529 CD GLU A 32 -3.930 10.076 6.453 1.00 64.41 C ATOM 530 OE1 GLU A 32 -4.065 11.155 5.828 1.00 62.10 O ATOM 531 OE2 GLU A 32 -3.899 10.031 7.704 1.00 53.34 O ATOM 0 H GLU A 32 -4.127 8.048 3.034 1.00 24.01 H new ATOM 0 HA GLU A 32 -4.561 6.103 5.032 1.00 4.23 H new ATOM 0 HB2 GLU A 32 -5.736 8.910 4.677 1.00 63.41 H new ATOM 0 HB3 GLU A 32 -5.767 8.000 6.174 1.00 63.41 H new ATOM 0 HG2 GLU A 32 -3.267 8.034 6.246 1.00 32.25 H new ATOM 0 HG3 GLU A 32 -3.238 8.947 4.750 1.00 32.25 H new ATOM 538 N LYS A 33 -7.271 6.942 3.305 1.00 34.33 N ATOM 539 CA LYS A 33 -8.655 6.561 2.956 1.00 22.22 C ATOM 540 C LYS A 33 -8.695 5.194 2.225 1.00 63.13 C ATOM 541 O LYS A 33 -9.493 4.324 2.578 1.00 65.22 O ATOM 542 CB LYS A 33 -9.310 7.672 2.088 1.00 54.32 C ATOM 543 CG LYS A 33 -9.411 9.054 2.784 1.00 65.12 C ATOM 544 CD LYS A 33 -10.082 10.147 1.911 1.00 71.02 C ATOM 545 CE LYS A 33 -9.321 10.441 0.605 1.00 2.01 C ATOM 546 NZ LYS A 33 -9.938 11.557 -0.159 1.00 0.52 N ATOM 0 H LYS A 33 -6.922 7.742 2.778 1.00 34.33 H new ATOM 0 HA LYS A 33 -9.225 6.455 3.879 1.00 22.22 H new ATOM 0 HB2 LYS A 33 -8.736 7.783 1.168 1.00 54.32 H new ATOM 0 HB3 LYS A 33 -10.311 7.349 1.802 1.00 54.32 H new ATOM 0 HG2 LYS A 33 -9.976 8.944 3.710 1.00 65.12 H new ATOM 0 HG3 LYS A 33 -8.410 9.386 3.059 1.00 65.12 H new ATOM 0 HD2 LYS A 33 -11.098 9.834 1.668 1.00 71.02 H new ATOM 0 HD3 LYS A 33 -10.161 11.066 2.491 1.00 71.02 H new ATOM 0 HE2 LYS A 33 -8.285 10.689 0.837 1.00 2.01 H new ATOM 0 HE3 LYS A 33 -9.303 9.544 -0.014 1.00 2.01 H new ATOM 0 HZ1 LYS A 33 -10.397 11.181 -1.013 1.00 0.52 H new ATOM 0 HZ2 LYS A 33 -10.647 12.033 0.434 1.00 0.52 H new ATOM 0 HZ3 LYS A 33 -9.202 12.239 -0.433 1.00 0.52 H new ATOM 560 N LEU A 34 -7.804 5.016 1.226 1.00 54.14 N ATOM 561 CA LEU A 34 -7.724 3.762 0.426 1.00 51.42 C ATOM 562 C LEU A 34 -7.297 2.553 1.291 1.00 75.21 C ATOM 563 O LEU A 34 -7.849 1.464 1.153 1.00 63.15 O ATOM 564 CB LEU A 34 -6.743 3.930 -0.763 1.00 32.30 C ATOM 565 CG LEU A 34 -6.588 2.693 -1.715 1.00 61.54 C ATOM 566 CD1 LEU A 34 -7.926 2.340 -2.421 1.00 45.53 C ATOM 567 CD2 LEU A 34 -5.457 2.930 -2.736 1.00 61.50 C ATOM 0 H LEU A 34 -7.125 5.725 0.949 1.00 54.14 H new ATOM 0 HA LEU A 34 -8.724 3.565 0.041 1.00 51.42 H new ATOM 0 HB2 LEU A 34 -7.070 4.782 -1.359 1.00 32.30 H new ATOM 0 HB3 LEU A 34 -5.760 4.180 -0.363 1.00 32.30 H new ATOM 0 HG LEU A 34 -6.316 1.834 -1.102 1.00 61.54 H new ATOM 0 HD11 LEU A 34 -7.778 1.478 -3.072 1.00 45.53 H new ATOM 0 HD12 LEU A 34 -8.681 2.103 -1.672 1.00 45.53 H new ATOM 0 HD13 LEU A 34 -8.259 3.191 -3.016 1.00 45.53 H new ATOM 0 HD21 LEU A 34 -5.366 2.060 -3.387 1.00 61.50 H new ATOM 0 HD22 LEU A 34 -5.687 3.810 -3.337 1.00 61.50 H new ATOM 0 HD23 LEU A 34 -4.517 3.088 -2.207 1.00 61.50 H new ATOM 579 N ALA A 35 -6.308 2.775 2.180 1.00 73.51 N ATOM 580 CA ALA A 35 -5.820 1.751 3.137 1.00 63.20 C ATOM 581 C ALA A 35 -6.933 1.334 4.109 1.00 23.12 C ATOM 582 O ALA A 35 -7.021 0.168 4.477 1.00 23.12 O ATOM 583 CB ALA A 35 -4.596 2.255 3.915 1.00 23.35 C ATOM 0 H ALA A 35 -5.822 3.669 2.258 1.00 73.51 H new ATOM 0 HA ALA A 35 -5.520 0.878 2.558 1.00 63.20 H new ATOM 0 HB1 ALA A 35 -4.262 1.483 4.608 1.00 23.35 H new ATOM 0 HB2 ALA A 35 -3.792 2.489 3.217 1.00 23.35 H new ATOM 0 HB3 ALA A 35 -4.864 3.152 4.473 1.00 23.35 H new ATOM 589 N LYS A 36 -7.782 2.307 4.502 1.00 35.12 N ATOM 590 CA LYS A 36 -8.991 2.050 5.312 1.00 22.44 C ATOM 591 C LYS A 36 -9.981 1.128 4.545 1.00 14.23 C ATOM 592 O LYS A 36 -10.532 0.194 5.123 1.00 52.11 O ATOM 593 CB LYS A 36 -9.662 3.393 5.703 1.00 20.41 C ATOM 594 CG LYS A 36 -10.915 3.265 6.605 1.00 65.13 C ATOM 595 CD LYS A 36 -11.504 4.635 7.012 1.00 64.24 C ATOM 596 CE LYS A 36 -10.526 5.481 7.846 1.00 25.34 C ATOM 597 NZ LYS A 36 -11.111 6.783 8.253 1.00 75.23 N ATOM 0 H LYS A 36 -7.649 3.291 4.267 1.00 35.12 H new ATOM 0 HA LYS A 36 -8.700 1.533 6.226 1.00 22.44 H new ATOM 0 HB2 LYS A 36 -8.926 4.013 6.216 1.00 20.41 H new ATOM 0 HB3 LYS A 36 -9.943 3.920 4.791 1.00 20.41 H new ATOM 0 HG2 LYS A 36 -11.677 2.689 6.080 1.00 65.13 H new ATOM 0 HG3 LYS A 36 -10.654 2.706 7.503 1.00 65.13 H new ATOM 0 HD2 LYS A 36 -11.781 5.188 6.114 1.00 64.24 H new ATOM 0 HD3 LYS A 36 -12.419 4.477 7.583 1.00 64.24 H new ATOM 0 HE2 LYS A 36 -10.234 4.923 8.736 1.00 25.34 H new ATOM 0 HE3 LYS A 36 -9.619 5.658 7.268 1.00 25.34 H new ATOM 0 HZ1 LYS A 36 -10.415 7.317 8.812 1.00 75.23 H new ATOM 0 HZ2 LYS A 36 -11.366 7.329 7.405 1.00 75.23 H new ATOM 0 HZ3 LYS A 36 -11.962 6.617 8.827 1.00 75.23 H new ATOM 611 N ASP A 37 -10.160 1.384 3.228 1.00 42.14 N ATOM 612 CA ASP A 37 -10.972 0.509 2.336 1.00 14.30 C ATOM 613 C ASP A 37 -10.379 -0.917 2.236 1.00 71.21 C ATOM 614 O ASP A 37 -11.121 -1.896 2.156 1.00 72.54 O ATOM 615 CB ASP A 37 -11.117 1.130 0.922 1.00 11.31 C ATOM 616 CG ASP A 37 -11.942 2.422 0.930 1.00 40.23 C ATOM 617 OD1 ASP A 37 -13.150 2.356 1.244 1.00 12.12 O ATOM 618 OD2 ASP A 37 -11.406 3.504 0.641 1.00 63.04 O ATOM 0 H ASP A 37 -9.754 2.191 2.754 1.00 42.14 H new ATOM 0 HA ASP A 37 -11.963 0.431 2.784 1.00 14.30 H new ATOM 0 HB2 ASP A 37 -10.127 1.338 0.517 1.00 11.31 H new ATOM 0 HB3 ASP A 37 -11.588 0.406 0.257 1.00 11.31 H new ATOM 623 N VAL A 38 -9.032 -1.010 2.244 1.00 41.41 N ATOM 624 CA VAL A 38 -8.313 -2.307 2.272 1.00 60.43 C ATOM 625 C VAL A 38 -8.570 -3.044 3.615 1.00 42.13 C ATOM 626 O VAL A 38 -8.732 -4.258 3.633 1.00 55.43 O ATOM 627 CB VAL A 38 -6.751 -2.139 2.040 1.00 71.42 C ATOM 628 CG1 VAL A 38 -6.016 -3.502 2.070 1.00 75.44 C ATOM 629 CG2 VAL A 38 -6.442 -1.389 0.718 1.00 41.41 C ATOM 0 H VAL A 38 -8.415 -0.198 2.231 1.00 41.41 H new ATOM 0 HA VAL A 38 -8.706 -2.903 1.448 1.00 60.43 H new ATOM 0 HB VAL A 38 -6.378 -1.534 2.867 1.00 71.42 H new ATOM 0 HG11 VAL A 38 -4.950 -3.344 1.907 1.00 75.44 H new ATOM 0 HG12 VAL A 38 -6.169 -3.977 3.039 1.00 75.44 H new ATOM 0 HG13 VAL A 38 -6.411 -4.146 1.284 1.00 75.44 H new ATOM 0 HG21 VAL A 38 -5.363 -1.295 0.597 1.00 41.41 H new ATOM 0 HG22 VAL A 38 -6.854 -1.948 -0.122 1.00 41.41 H new ATOM 0 HG23 VAL A 38 -6.892 -0.397 0.749 1.00 41.41 H new ATOM 639 N LYS A 39 -8.639 -2.278 4.727 1.00 21.14 N ATOM 640 CA LYS A 39 -8.883 -2.819 6.092 1.00 61.32 C ATOM 641 C LYS A 39 -10.282 -3.480 6.226 1.00 15.13 C ATOM 642 O LYS A 39 -10.455 -4.399 7.031 1.00 44.41 O ATOM 643 CB LYS A 39 -8.677 -1.701 7.156 1.00 11.32 C ATOM 644 CG LYS A 39 -7.209 -1.212 7.272 1.00 33.22 C ATOM 645 CD LYS A 39 -7.045 0.074 8.118 1.00 35.31 C ATOM 646 CE LYS A 39 -5.590 0.590 8.124 1.00 33.53 C ATOM 647 NZ LYS A 39 -5.448 1.851 8.896 1.00 53.41 N ATOM 0 H LYS A 39 -8.527 -1.264 4.708 1.00 21.14 H new ATOM 0 HA LYS A 39 -8.154 -3.610 6.270 1.00 61.32 H new ATOM 0 HB2 LYS A 39 -9.314 -0.853 6.907 1.00 11.32 H new ATOM 0 HB3 LYS A 39 -9.005 -2.071 8.127 1.00 11.32 H new ATOM 0 HG2 LYS A 39 -6.605 -2.005 7.713 1.00 33.22 H new ATOM 0 HG3 LYS A 39 -6.816 -1.030 6.272 1.00 33.22 H new ATOM 0 HD2 LYS A 39 -7.702 0.850 7.726 1.00 35.31 H new ATOM 0 HD3 LYS A 39 -7.362 -0.124 9.142 1.00 35.31 H new ATOM 0 HE2 LYS A 39 -4.937 -0.172 8.551 1.00 33.53 H new ATOM 0 HE3 LYS A 39 -5.260 0.754 7.098 1.00 33.53 H new ATOM 0 HZ1 LYS A 39 -4.456 2.162 8.874 1.00 53.41 H new ATOM 0 HZ2 LYS A 39 -6.051 2.586 8.474 1.00 53.41 H new ATOM 0 HZ3 LYS A 39 -5.738 1.689 9.882 1.00 53.41 H new ATOM 661 N ASP A 40 -11.273 -3.010 5.443 1.00 60.42 N ATOM 662 CA ASP A 40 -12.590 -3.695 5.331 1.00 24.20 C ATOM 663 C ASP A 40 -12.443 -5.088 4.649 1.00 44.44 C ATOM 664 O ASP A 40 -13.133 -6.049 5.002 1.00 10.31 O ATOM 665 CB ASP A 40 -13.592 -2.826 4.538 1.00 50.13 C ATOM 666 CG ASP A 40 -13.875 -1.482 5.219 1.00 3.03 C ATOM 667 OD1 ASP A 40 -14.727 -1.430 6.132 1.00 23.14 O ATOM 668 OD2 ASP A 40 -13.256 -0.468 4.848 1.00 24.40 O ATOM 0 H ASP A 40 -11.194 -2.164 4.879 1.00 60.42 H new ATOM 0 HA ASP A 40 -12.971 -3.843 6.341 1.00 24.20 H new ATOM 0 HB2 ASP A 40 -13.199 -2.646 3.537 1.00 50.13 H new ATOM 0 HB3 ASP A 40 -14.527 -3.373 4.420 1.00 50.13 H new ATOM 673 N GLU A 41 -11.539 -5.162 3.655 1.00 4.35 N ATOM 674 CA GLU A 41 -11.246 -6.403 2.893 1.00 51.52 C ATOM 675 C GLU A 41 -10.365 -7.389 3.708 1.00 40.41 C ATOM 676 O GLU A 41 -10.377 -8.601 3.447 1.00 2.33 O ATOM 677 CB GLU A 41 -10.598 -6.054 1.522 1.00 23.14 C ATOM 678 CG GLU A 41 -11.267 -4.874 0.767 1.00 54.21 C ATOM 679 CD GLU A 41 -12.800 -4.965 0.663 1.00 5.33 C ATOM 680 OE1 GLU A 41 -13.304 -5.872 -0.023 1.00 33.31 O ATOM 681 OE2 GLU A 41 -13.509 -4.115 1.251 1.00 43.25 O ATOM 0 H GLU A 41 -10.985 -4.361 3.352 1.00 4.35 H new ATOM 0 HA GLU A 41 -12.191 -6.913 2.705 1.00 51.52 H new ATOM 0 HB2 GLU A 41 -9.547 -5.814 1.683 1.00 23.14 H new ATOM 0 HB3 GLU A 41 -10.629 -6.938 0.886 1.00 23.14 H new ATOM 0 HG2 GLU A 41 -11.005 -3.943 1.270 1.00 54.21 H new ATOM 0 HG3 GLU A 41 -10.850 -4.821 -0.239 1.00 54.21 H new ATOM 688 N LEU A 42 -9.574 -6.843 4.665 1.00 72.21 N ATOM 689 CA LEU A 42 -8.874 -7.647 5.714 1.00 25.52 C ATOM 690 C LEU A 42 -9.880 -8.547 6.490 1.00 0.33 C ATOM 691 O LEU A 42 -9.542 -9.668 6.889 1.00 74.51 O ATOM 692 CB LEU A 42 -8.085 -6.718 6.709 1.00 44.24 C ATOM 693 CG LEU A 42 -6.566 -6.465 6.404 1.00 11.31 C ATOM 694 CD1 LEU A 42 -6.330 -5.918 4.984 1.00 12.21 C ATOM 695 CD2 LEU A 42 -5.927 -5.544 7.473 1.00 40.31 C ATOM 0 H LEU A 42 -9.400 -5.840 4.737 1.00 72.21 H new ATOM 0 HA LEU A 42 -8.155 -8.293 5.210 1.00 25.52 H new ATOM 0 HB2 LEU A 42 -8.589 -5.752 6.740 1.00 44.24 H new ATOM 0 HB3 LEU A 42 -8.162 -7.150 7.707 1.00 44.24 H new ATOM 0 HG LEU A 42 -6.072 -7.435 6.450 1.00 11.31 H new ATOM 0 HD11 LEU A 42 -5.263 -5.761 4.827 1.00 12.21 H new ATOM 0 HD12 LEU A 42 -6.703 -6.634 4.252 1.00 12.21 H new ATOM 0 HD13 LEU A 42 -6.857 -4.971 4.867 1.00 12.21 H new ATOM 0 HD21 LEU A 42 -4.875 -5.387 7.236 1.00 40.31 H new ATOM 0 HD22 LEU A 42 -6.444 -4.585 7.483 1.00 40.31 H new ATOM 0 HD23 LEU A 42 -6.012 -6.012 8.454 1.00 40.31 H new ATOM 707 N GLU A 43 -11.107 -8.022 6.706 1.00 51.32 N ATOM 708 CA GLU A 43 -12.240 -8.805 7.243 1.00 53.41 C ATOM 709 C GLU A 43 -12.697 -9.861 6.202 1.00 61.50 C ATOM 710 O GLU A 43 -12.627 -11.070 6.460 1.00 32.14 O ATOM 711 CB GLU A 43 -13.414 -7.854 7.632 1.00 5.11 C ATOM 712 CG GLU A 43 -14.671 -8.546 8.217 1.00 3.30 C ATOM 713 CD GLU A 43 -14.418 -9.237 9.568 1.00 15.13 C ATOM 714 OE1 GLU A 43 -14.402 -8.535 10.606 1.00 24.43 O ATOM 715 OE2 GLU A 43 -14.201 -10.472 9.599 1.00 21.25 O ATOM 0 H GLU A 43 -11.338 -7.047 6.513 1.00 51.32 H new ATOM 0 HA GLU A 43 -11.919 -9.331 8.142 1.00 53.41 H new ATOM 0 HB2 GLU A 43 -13.046 -7.132 8.361 1.00 5.11 H new ATOM 0 HB3 GLU A 43 -13.710 -7.291 6.747 1.00 5.11 H new ATOM 0 HG2 GLU A 43 -15.460 -7.804 8.339 1.00 3.30 H new ATOM 0 HG3 GLU A 43 -15.035 -9.284 7.503 1.00 3.30 H new ATOM 756 N ALA A 47 -7.900 -9.409 -0.018 1.00 54.43 N ATOM 757 CA ALA A 47 -6.908 -8.328 0.118 1.00 34.23 C ATOM 758 C ALA A 47 -5.951 -8.257 -1.097 1.00 5.41 C ATOM 759 O ALA A 47 -5.412 -7.192 -1.367 1.00 64.23 O ATOM 760 CB ALA A 47 -6.122 -8.498 1.430 1.00 24.35 C ATOM 0 HA ALA A 47 -7.448 -7.382 0.147 1.00 34.23 H new ATOM 0 HB1 ALA A 47 -5.391 -7.695 1.523 1.00 24.35 H new ATOM 0 HB2 ALA A 47 -6.811 -8.461 2.274 1.00 24.35 H new ATOM 0 HB3 ALA A 47 -5.607 -9.459 1.424 1.00 24.35 H new ATOM 766 N LYS A 48 -5.780 -9.377 -1.845 1.00 21.22 N ATOM 767 CA LYS A 48 -4.822 -9.456 -2.988 1.00 51.11 C ATOM 768 C LYS A 48 -5.226 -8.512 -4.142 1.00 51.51 C ATOM 769 O LYS A 48 -4.374 -7.819 -4.715 1.00 74.24 O ATOM 770 CB LYS A 48 -4.684 -10.925 -3.489 1.00 35.13 C ATOM 771 CG LYS A 48 -3.611 -11.172 -4.600 1.00 13.13 C ATOM 772 CD LYS A 48 -4.131 -10.986 -6.047 1.00 51.11 C ATOM 773 CE LYS A 48 -3.033 -11.177 -7.102 1.00 53.20 C ATOM 774 NZ LYS A 48 -3.566 -11.013 -8.479 1.00 50.04 N ATOM 0 H LYS A 48 -6.293 -10.243 -1.679 1.00 21.22 H new ATOM 0 HA LYS A 48 -3.849 -9.123 -2.626 1.00 51.11 H new ATOM 0 HB2 LYS A 48 -4.446 -11.559 -2.635 1.00 35.13 H new ATOM 0 HB3 LYS A 48 -5.653 -11.251 -3.868 1.00 35.13 H new ATOM 0 HG2 LYS A 48 -2.775 -10.492 -4.438 1.00 13.13 H new ATOM 0 HG3 LYS A 48 -3.223 -12.185 -4.494 1.00 13.13 H new ATOM 0 HD2 LYS A 48 -4.936 -11.697 -6.233 1.00 51.11 H new ATOM 0 HD3 LYS A 48 -4.558 -9.988 -6.150 1.00 51.11 H new ATOM 0 HE2 LYS A 48 -2.234 -10.455 -6.932 1.00 53.20 H new ATOM 0 HE3 LYS A 48 -2.594 -12.169 -6.996 1.00 53.20 H new ATOM 0 HZ1 LYS A 48 -2.777 -10.996 -9.157 1.00 50.04 H new ATOM 0 HZ2 LYS A 48 -4.199 -11.807 -8.703 1.00 50.04 H new ATOM 0 HZ3 LYS A 48 -4.096 -10.120 -8.542 1.00 50.04 H new ATOM 788 N ASN A 49 -6.526 -8.505 -4.486 1.00 22.41 N ATOM 789 CA ASN A 49 -7.073 -7.620 -5.538 1.00 64.42 C ATOM 790 C ASN A 49 -6.942 -6.127 -5.127 1.00 24.30 C ATOM 791 O ASN A 49 -6.869 -5.232 -5.973 1.00 71.41 O ATOM 792 CB ASN A 49 -8.549 -7.994 -5.852 1.00 70.42 C ATOM 793 CG ASN A 49 -9.080 -7.373 -7.155 1.00 34.44 C ATOM 794 OD1 ASN A 49 -10.242 -6.990 -7.244 1.00 61.34 O ATOM 795 ND2 ASN A 49 -8.258 -7.318 -8.199 1.00 24.12 N ATOM 0 H ASN A 49 -7.225 -9.106 -4.049 1.00 22.41 H new ATOM 0 HA ASN A 49 -6.490 -7.764 -6.448 1.00 64.42 H new ATOM 0 HB2 ASN A 49 -8.634 -9.079 -5.916 1.00 70.42 H new ATOM 0 HB3 ASN A 49 -9.180 -7.673 -5.023 1.00 70.42 H new ATOM 0 HD21 ASN A 49 -8.591 -6.953 -9.091 1.00 24.12 H new ATOM 0 HD22 ASN A 49 -7.295 -7.641 -8.107 1.00 24.12 H new ATOM 802 N MET A 50 -6.920 -5.889 -3.806 1.00 3.52 N ATOM 803 CA MET A 50 -6.652 -4.562 -3.213 1.00 24.54 C ATOM 804 C MET A 50 -5.141 -4.211 -3.229 1.00 63.03 C ATOM 805 O MET A 50 -4.797 -3.047 -3.362 1.00 41.44 O ATOM 806 CB MET A 50 -7.197 -4.526 -1.767 1.00 3.45 C ATOM 807 CG MET A 50 -8.695 -4.818 -1.677 1.00 42.01 C ATOM 808 SD MET A 50 -9.715 -3.535 -2.443 1.00 55.22 S ATOM 809 CE MET A 50 -9.391 -2.129 -1.375 1.00 52.40 C ATOM 0 H MET A 50 -7.089 -6.616 -3.111 1.00 3.52 H new ATOM 0 HA MET A 50 -7.161 -3.812 -3.819 1.00 24.54 H new ATOM 0 HB2 MET A 50 -6.655 -5.255 -1.164 1.00 3.45 H new ATOM 0 HB3 MET A 50 -6.999 -3.545 -1.336 1.00 3.45 H new ATOM 0 HG2 MET A 50 -8.902 -5.774 -2.158 1.00 42.01 H new ATOM 0 HG3 MET A 50 -8.977 -4.921 -0.629 1.00 42.01 H new ATOM 0 HE1 MET A 50 -10.187 -1.394 -1.490 1.00 52.40 H new ATOM 0 HE2 MET A 50 -9.351 -2.462 -0.338 1.00 52.40 H new ATOM 0 HE3 MET A 50 -8.438 -1.677 -1.648 1.00 52.40 H new ATOM 819 N ILE A 51 -4.259 -5.235 -3.094 1.00 42.11 N ATOM 820 CA ILE A 51 -2.775 -5.067 -3.105 1.00 71.13 C ATOM 821 C ILE A 51 -2.295 -4.535 -4.476 1.00 11.04 C ATOM 822 O ILE A 51 -1.584 -3.535 -4.545 1.00 2.53 O ATOM 823 CB ILE A 51 -2.030 -6.434 -2.787 1.00 34.03 C ATOM 824 CG1 ILE A 51 -2.291 -6.903 -1.321 1.00 3.33 C ATOM 825 CG2 ILE A 51 -0.502 -6.361 -3.058 1.00 71.53 C ATOM 826 CD1 ILE A 51 -1.781 -8.299 -1.014 1.00 42.04 C ATOM 0 H ILE A 51 -4.554 -6.204 -2.974 1.00 42.11 H new ATOM 0 HA ILE A 51 -2.529 -4.345 -2.326 1.00 71.13 H new ATOM 0 HB ILE A 51 -2.451 -7.170 -3.472 1.00 34.03 H new ATOM 0 HG12 ILE A 51 -1.820 -6.198 -0.637 1.00 3.33 H new ATOM 0 HG13 ILE A 51 -3.363 -6.869 -1.126 1.00 3.33 H new ATOM 0 HG21 ILE A 51 -0.045 -7.322 -2.824 1.00 71.53 H new ATOM 0 HG22 ILE A 51 -0.330 -6.123 -4.108 1.00 71.53 H new ATOM 0 HG23 ILE A 51 -0.058 -5.586 -2.433 1.00 71.53 H new ATOM 0 HD11 ILE A 51 -2.002 -8.547 0.024 1.00 42.04 H new ATOM 0 HD12 ILE A 51 -2.270 -9.018 -1.671 1.00 42.04 H new ATOM 0 HD13 ILE A 51 -0.703 -8.336 -1.174 1.00 42.04 H new ATOM 838 N GLU A 52 -2.706 -5.226 -5.558 1.00 4.23 N ATOM 839 CA GLU A 52 -2.323 -4.872 -6.950 1.00 54.42 C ATOM 840 C GLU A 52 -2.797 -3.450 -7.345 1.00 13.24 C ATOM 841 O GLU A 52 -2.089 -2.713 -8.048 1.00 52.05 O ATOM 842 CB GLU A 52 -2.880 -5.943 -7.931 1.00 21.24 C ATOM 843 CG GLU A 52 -4.408 -6.113 -7.891 1.00 35.21 C ATOM 844 CD GLU A 52 -4.928 -7.245 -8.788 1.00 34.24 C ATOM 845 OE1 GLU A 52 -5.029 -8.398 -8.314 1.00 21.50 O ATOM 846 OE2 GLU A 52 -5.237 -6.987 -9.971 1.00 75.12 O ATOM 0 H GLU A 52 -3.312 -6.044 -5.498 1.00 4.23 H new ATOM 0 HA GLU A 52 -1.235 -4.861 -7.010 1.00 54.42 H new ATOM 0 HB2 GLU A 52 -2.583 -5.677 -8.946 1.00 21.24 H new ATOM 0 HB3 GLU A 52 -2.415 -6.902 -7.704 1.00 21.24 H new ATOM 0 HG2 GLU A 52 -4.716 -6.305 -6.863 1.00 35.21 H new ATOM 0 HG3 GLU A 52 -4.877 -5.177 -8.194 1.00 35.21 H new ATOM 853 N LYS A 53 -3.986 -3.070 -6.853 1.00 53.10 N ATOM 854 CA LYS A 53 -4.569 -1.732 -7.102 1.00 71.24 C ATOM 855 C LYS A 53 -3.904 -0.651 -6.231 1.00 31.30 C ATOM 856 O LYS A 53 -3.690 0.469 -6.686 1.00 73.32 O ATOM 857 CB LYS A 53 -6.108 -1.771 -6.889 1.00 51.23 C ATOM 858 CG LYS A 53 -6.854 -2.631 -7.937 1.00 44.32 C ATOM 859 CD LYS A 53 -6.618 -2.121 -9.380 1.00 64.22 C ATOM 860 CE LYS A 53 -7.285 -3.001 -10.450 1.00 70.15 C ATOM 861 NZ LYS A 53 -7.034 -2.486 -11.825 1.00 40.53 N ATOM 0 H LYS A 53 -4.571 -3.673 -6.275 1.00 53.10 H new ATOM 0 HA LYS A 53 -4.373 -1.462 -8.140 1.00 71.24 H new ATOM 0 HB2 LYS A 53 -6.319 -2.161 -5.893 1.00 51.23 H new ATOM 0 HB3 LYS A 53 -6.497 -0.753 -6.922 1.00 51.23 H new ATOM 0 HG2 LYS A 53 -6.522 -3.666 -7.859 1.00 44.32 H new ATOM 0 HG3 LYS A 53 -7.922 -2.622 -7.719 1.00 44.32 H new ATOM 0 HD2 LYS A 53 -7.000 -1.104 -9.466 1.00 64.22 H new ATOM 0 HD3 LYS A 53 -5.546 -2.076 -9.572 1.00 64.22 H new ATOM 0 HE2 LYS A 53 -6.908 -4.020 -10.369 1.00 70.15 H new ATOM 0 HE3 LYS A 53 -8.359 -3.043 -10.268 1.00 70.15 H new ATOM 0 HZ1 LYS A 53 -7.500 -3.106 -12.518 1.00 40.53 H new ATOM 0 HZ2 LYS A 53 -7.416 -1.523 -11.910 1.00 40.53 H new ATOM 0 HZ3 LYS A 53 -6.010 -2.469 -12.008 1.00 40.53 H new ATOM 875 N PHE A 54 -3.553 -1.019 -4.987 1.00 54.04 N ATOM 876 CA PHE A 54 -2.845 -0.125 -4.037 1.00 72.33 C ATOM 877 C PHE A 54 -1.414 0.189 -4.549 1.00 1.03 C ATOM 878 O PHE A 54 -0.896 1.289 -4.332 1.00 42.41 O ATOM 879 CB PHE A 54 -2.800 -0.770 -2.617 1.00 31.05 C ATOM 880 CG PHE A 54 -2.161 0.115 -1.539 1.00 13.33 C ATOM 881 CD1 PHE A 54 -2.899 1.110 -0.900 1.00 64.32 C ATOM 882 CD2 PHE A 54 -0.812 -0.017 -1.206 1.00 0.43 C ATOM 883 CE1 PHE A 54 -2.314 1.936 0.041 1.00 24.54 C ATOM 884 CE2 PHE A 54 -0.225 0.813 -0.280 1.00 41.11 C ATOM 885 CZ PHE A 54 -0.971 1.791 0.346 1.00 72.32 C ATOM 0 H PHE A 54 -3.750 -1.944 -4.606 1.00 54.04 H new ATOM 0 HA PHE A 54 -3.393 0.815 -3.968 1.00 72.33 H new ATOM 0 HB2 PHE A 54 -3.817 -1.017 -2.311 1.00 31.05 H new ATOM 0 HB3 PHE A 54 -2.247 -1.708 -2.675 1.00 31.05 H new ATOM 0 HD1 PHE A 54 -3.943 1.237 -1.144 1.00 64.32 H new ATOM 0 HD2 PHE A 54 -0.220 -0.783 -1.683 1.00 0.43 H new ATOM 0 HE1 PHE A 54 -2.903 2.693 0.537 1.00 24.54 H new ATOM 0 HE2 PHE A 54 0.822 0.699 -0.042 1.00 41.11 H new ATOM 0 HZ PHE A 54 -0.508 2.442 1.073 1.00 72.32 H new ATOM 895 N ARG A 55 -0.799 -0.805 -5.225 1.00 34.55 N ATOM 896 CA ARG A 55 0.505 -0.654 -5.909 1.00 70.01 C ATOM 897 C ARG A 55 0.424 0.425 -7.016 1.00 42.50 C ATOM 898 O ARG A 55 1.327 1.254 -7.155 1.00 12.21 O ATOM 899 CB ARG A 55 0.945 -2.045 -6.499 1.00 34.35 C ATOM 900 CG ARG A 55 2.183 -2.054 -7.457 1.00 11.02 C ATOM 901 CD ARG A 55 1.798 -1.904 -8.949 1.00 1.11 C ATOM 902 NE ARG A 55 2.962 -1.611 -9.800 1.00 12.45 N ATOM 903 CZ ARG A 55 2.964 -0.792 -10.836 1.00 62.35 C ATOM 904 NH1 ARG A 55 1.892 -0.149 -11.194 1.00 43.24 N ATOM 905 NH2 ARG A 55 4.049 -0.617 -11.507 1.00 22.51 N ATOM 0 H ARG A 55 -1.195 -1.741 -5.312 1.00 34.55 H new ATOM 0 HA ARG A 55 1.254 -0.323 -5.190 1.00 70.01 H new ATOM 0 HB2 ARG A 55 1.158 -2.714 -5.665 1.00 34.35 H new ATOM 0 HB3 ARG A 55 0.097 -2.467 -7.038 1.00 34.35 H new ATOM 0 HG2 ARG A 55 2.856 -1.243 -7.178 1.00 11.02 H new ATOM 0 HG3 ARG A 55 2.733 -2.985 -7.322 1.00 11.02 H new ATOM 0 HD2 ARG A 55 1.321 -2.822 -9.293 1.00 1.11 H new ATOM 0 HD3 ARG A 55 1.064 -1.105 -9.054 1.00 1.11 H new ATOM 0 HE ARG A 55 3.839 -2.079 -9.571 1.00 12.45 H new ATOM 0 HH11 ARG A 55 1.025 -0.272 -10.671 1.00 43.24 H new ATOM 0 HH12 ARG A 55 1.918 0.478 -11.998 1.00 43.24 H new ATOM 0 HH21 ARG A 55 4.900 -1.110 -11.237 1.00 22.51 H new ATOM 0 HH22 ARG A 55 4.057 0.014 -12.308 1.00 22.51 H new ATOM 919 N ASP A 56 -0.666 0.374 -7.808 1.00 31.53 N ATOM 920 CA ASP A 56 -0.886 1.295 -8.941 1.00 0.31 C ATOM 921 C ASP A 56 -1.129 2.739 -8.441 1.00 72.54 C ATOM 922 O ASP A 56 -0.531 3.687 -8.953 1.00 2.23 O ATOM 923 CB ASP A 56 -2.075 0.793 -9.795 1.00 73.12 C ATOM 924 CG ASP A 56 -2.249 1.576 -11.107 1.00 64.23 C ATOM 925 OD1 ASP A 56 -1.619 1.199 -12.114 1.00 15.44 O ATOM 926 OD2 ASP A 56 -2.999 2.576 -11.133 1.00 3.24 O ATOM 0 H ASP A 56 -1.417 -0.305 -7.681 1.00 31.53 H new ATOM 0 HA ASP A 56 0.009 1.312 -9.562 1.00 0.31 H new ATOM 0 HB2 ASP A 56 -1.929 -0.262 -10.025 1.00 73.12 H new ATOM 0 HB3 ASP A 56 -2.992 0.868 -9.210 1.00 73.12 H new ATOM 931 N GLU A 57 -2.011 2.869 -7.433 1.00 53.31 N ATOM 932 CA GLU A 57 -2.323 4.155 -6.767 1.00 42.31 C ATOM 933 C GLU A 57 -1.062 4.784 -6.124 1.00 65.03 C ATOM 934 O GLU A 57 -0.846 5.998 -6.227 1.00 41.21 O ATOM 935 CB GLU A 57 -3.433 3.944 -5.703 1.00 71.13 C ATOM 936 CG GLU A 57 -4.800 3.489 -6.269 1.00 21.51 C ATOM 937 CD GLU A 57 -5.490 4.552 -7.147 1.00 23.33 C ATOM 938 OE1 GLU A 57 -5.991 5.556 -6.590 1.00 51.23 O ATOM 939 OE2 GLU A 57 -5.561 4.382 -8.387 1.00 4.44 O ATOM 0 H GLU A 57 -2.533 2.080 -7.052 1.00 53.31 H new ATOM 0 HA GLU A 57 -2.683 4.851 -7.525 1.00 42.31 H new ATOM 0 HB2 GLU A 57 -3.089 3.202 -4.983 1.00 71.13 H new ATOM 0 HB3 GLU A 57 -3.575 4.877 -5.157 1.00 71.13 H new ATOM 0 HG2 GLU A 57 -4.657 2.582 -6.856 1.00 21.51 H new ATOM 0 HG3 GLU A 57 -5.459 3.231 -5.440 1.00 21.51 H new ATOM 946 N MET A 58 -0.231 3.938 -5.462 1.00 20.05 N ATOM 947 CA MET A 58 1.093 4.355 -4.945 1.00 31.11 C ATOM 948 C MET A 58 2.012 4.877 -6.063 1.00 45.51 C ATOM 949 O MET A 58 2.682 5.888 -5.869 1.00 10.45 O ATOM 950 CB MET A 58 1.808 3.222 -4.149 1.00 63.13 C ATOM 951 CG MET A 58 1.527 3.218 -2.638 1.00 31.34 C ATOM 952 SD MET A 58 2.979 2.708 -1.691 1.00 71.14 S ATOM 953 CE MET A 58 4.136 4.034 -2.064 1.00 42.42 C ATOM 0 H MET A 58 -0.458 2.961 -5.275 1.00 20.05 H new ATOM 0 HA MET A 58 0.894 5.174 -4.254 1.00 31.11 H new ATOM 0 HB2 MET A 58 1.505 2.260 -4.563 1.00 63.13 H new ATOM 0 HB3 MET A 58 2.883 3.312 -4.304 1.00 63.13 H new ATOM 0 HG2 MET A 58 1.218 4.215 -2.322 1.00 31.34 H new ATOM 0 HG3 MET A 58 0.697 2.544 -2.424 1.00 31.34 H new ATOM 0 HE1 MET A 58 4.753 4.236 -1.188 1.00 42.42 H new ATOM 0 HE2 MET A 58 4.774 3.737 -2.896 1.00 42.42 H new ATOM 0 HE3 MET A 58 3.583 4.934 -2.334 1.00 42.42 H new ATOM 963 N GLU A 59 2.029 4.175 -7.217 1.00 0.24 N ATOM 964 CA GLU A 59 2.856 4.564 -8.382 1.00 34.35 C ATOM 965 C GLU A 59 2.488 5.973 -8.897 1.00 31.23 C ATOM 966 O GLU A 59 3.370 6.760 -9.199 1.00 23.23 O ATOM 967 CB GLU A 59 2.744 3.511 -9.517 1.00 23.54 C ATOM 968 CG GLU A 59 3.546 3.856 -10.796 1.00 44.43 C ATOM 969 CD GLU A 59 3.466 2.781 -11.888 1.00 32.02 C ATOM 970 OE1 GLU A 59 2.357 2.521 -12.403 1.00 63.12 O ATOM 971 OE2 GLU A 59 4.513 2.190 -12.239 1.00 51.31 O ATOM 0 H GLU A 59 1.476 3.331 -7.368 1.00 0.24 H new ATOM 0 HA GLU A 59 3.894 4.598 -8.050 1.00 34.35 H new ATOM 0 HB2 GLU A 59 3.087 2.549 -9.137 1.00 23.54 H new ATOM 0 HB3 GLU A 59 1.694 3.393 -9.783 1.00 23.54 H new ATOM 0 HG2 GLU A 59 3.178 4.799 -11.200 1.00 44.43 H new ATOM 0 HG3 GLU A 59 4.591 4.010 -10.527 1.00 44.43 H new ATOM 978 N GLN A 60 1.180 6.281 -8.946 1.00 63.02 N ATOM 979 CA GLN A 60 0.661 7.603 -9.391 1.00 33.51 C ATOM 980 C GLN A 60 1.271 8.772 -8.565 1.00 35.54 C ATOM 981 O GLN A 60 1.758 9.755 -9.128 1.00 45.03 O ATOM 982 CB GLN A 60 -0.885 7.624 -9.268 1.00 62.00 C ATOM 983 CG GLN A 60 -1.603 6.489 -10.022 1.00 50.04 C ATOM 984 CD GLN A 60 -3.105 6.420 -9.747 1.00 33.32 C ATOM 985 OE1 GLN A 60 -3.581 6.854 -8.703 1.00 74.55 O ATOM 986 NE2 GLN A 60 -3.855 5.815 -10.646 1.00 24.20 N ATOM 0 H GLN A 60 0.446 5.625 -8.680 1.00 63.02 H new ATOM 0 HA GLN A 60 0.954 7.744 -10.431 1.00 33.51 H new ATOM 0 HB2 GLN A 60 -1.153 7.568 -8.213 1.00 62.00 H new ATOM 0 HB3 GLN A 60 -1.253 8.580 -9.641 1.00 62.00 H new ATOM 0 HG2 GLN A 60 -1.445 6.619 -11.093 1.00 50.04 H new ATOM 0 HG3 GLN A 60 -1.148 5.538 -9.746 1.00 50.04 H new ATOM 0 HE21 GLN A 60 -3.436 5.463 -11.506 1.00 24.20 H new ATOM 0 HE22 GLN A 60 -4.855 5.699 -10.481 1.00 24.20 H new ATOM 995 N MET A 61 1.250 8.630 -7.225 1.00 35.52 N ATOM 996 CA MET A 61 1.805 9.646 -6.287 1.00 10.20 C ATOM 997 C MET A 61 3.357 9.643 -6.285 1.00 0.33 C ATOM 998 O MET A 61 3.986 10.686 -6.118 1.00 10.33 O ATOM 999 CB MET A 61 1.272 9.375 -4.860 1.00 12.32 C ATOM 1000 CG MET A 61 -0.257 9.461 -4.720 1.00 11.34 C ATOM 1001 SD MET A 61 -0.842 8.868 -3.117 1.00 0.42 S ATOM 1002 CE MET A 61 -0.337 7.149 -3.173 1.00 51.35 C ATOM 0 H MET A 61 0.852 7.816 -6.757 1.00 35.52 H new ATOM 0 HA MET A 61 1.481 10.631 -6.624 1.00 10.20 H new ATOM 0 HB2 MET A 61 1.597 8.383 -4.547 1.00 12.32 H new ATOM 0 HB3 MET A 61 1.727 10.090 -4.175 1.00 12.32 H new ATOM 0 HG2 MET A 61 -0.573 10.495 -4.858 1.00 11.34 H new ATOM 0 HG3 MET A 61 -0.724 8.876 -5.512 1.00 11.34 H new ATOM 0 HE1 MET A 61 -1.198 6.510 -2.976 1.00 51.35 H new ATOM 0 HE2 MET A 61 0.066 6.920 -4.159 1.00 51.35 H new ATOM 0 HE3 MET A 61 0.428 6.970 -2.418 1.00 51.35 H new ATOM 1012 N TYR A 62 3.938 8.441 -6.466 1.00 51.52 N ATOM 1013 CA TYR A 62 5.406 8.211 -6.514 1.00 63.33 C ATOM 1014 C TYR A 62 6.062 8.904 -7.737 1.00 13.41 C ATOM 1015 O TYR A 62 7.179 9.414 -7.648 1.00 2.13 O ATOM 1016 CB TYR A 62 5.676 6.672 -6.523 1.00 31.04 C ATOM 1017 CG TYR A 62 7.084 6.249 -6.980 1.00 52.11 C ATOM 1018 CD1 TYR A 62 8.194 6.395 -6.145 1.00 41.21 C ATOM 1019 CD2 TYR A 62 7.300 5.729 -8.264 1.00 35.11 C ATOM 1020 CE1 TYR A 62 9.454 6.041 -6.575 1.00 61.00 C ATOM 1021 CE2 TYR A 62 8.559 5.371 -8.685 1.00 64.01 C ATOM 1022 CZ TYR A 62 9.632 5.533 -7.843 1.00 35.11 C ATOM 1023 OH TYR A 62 10.898 5.186 -8.271 1.00 33.13 O ATOM 0 H TYR A 62 3.397 7.585 -6.586 1.00 51.52 H new ATOM 0 HA TYR A 62 5.861 8.656 -5.629 1.00 63.33 H new ATOM 0 HB2 TYR A 62 5.508 6.285 -5.518 1.00 31.04 H new ATOM 0 HB3 TYR A 62 4.943 6.196 -7.174 1.00 31.04 H new ATOM 0 HD1 TYR A 62 8.063 6.791 -5.149 1.00 41.21 H new ATOM 0 HD2 TYR A 62 6.462 5.607 -8.935 1.00 35.11 H new ATOM 0 HE1 TYR A 62 10.302 6.162 -5.918 1.00 61.00 H new ATOM 0 HE2 TYR A 62 8.704 4.964 -9.675 1.00 64.01 H new ATOM 0 HH TYR A 62 10.851 4.843 -9.188 1.00 33.13 H new ATOM 1033 N LYS A 63 5.352 8.887 -8.871 1.00 25.32 N ATOM 1034 CA LYS A 63 5.803 9.535 -10.131 1.00 44.33 C ATOM 1035 C LYS A 63 6.030 11.058 -9.959 1.00 13.21 C ATOM 1036 O LYS A 63 6.878 11.649 -10.634 1.00 74.53 O ATOM 1037 CB LYS A 63 4.777 9.267 -11.268 1.00 21.11 C ATOM 1038 CG LYS A 63 4.735 7.808 -11.776 1.00 13.31 C ATOM 1039 CD LYS A 63 3.545 7.500 -12.733 1.00 60.21 C ATOM 1040 CE LYS A 63 3.602 8.249 -14.086 1.00 74.45 C ATOM 1041 NZ LYS A 63 3.256 9.696 -13.981 1.00 73.13 N ATOM 0 H LYS A 63 4.446 8.426 -8.952 1.00 25.32 H new ATOM 0 HA LYS A 63 6.763 9.094 -10.398 1.00 44.33 H new ATOM 0 HB2 LYS A 63 3.784 9.542 -10.913 1.00 21.11 H new ATOM 0 HB3 LYS A 63 5.008 9.922 -12.108 1.00 21.11 H new ATOM 0 HG2 LYS A 63 5.669 7.588 -12.293 1.00 13.31 H new ATOM 0 HG3 LYS A 63 4.680 7.138 -10.918 1.00 13.31 H new ATOM 0 HD2 LYS A 63 3.518 6.428 -12.926 1.00 60.21 H new ATOM 0 HD3 LYS A 63 2.613 7.756 -12.229 1.00 60.21 H new ATOM 0 HE2 LYS A 63 4.604 8.153 -14.503 1.00 74.45 H new ATOM 0 HE3 LYS A 63 2.918 7.770 -14.786 1.00 74.45 H new ATOM 0 HZ1 LYS A 63 2.606 9.954 -14.751 1.00 73.13 H new ATOM 0 HZ2 LYS A 63 2.798 9.878 -13.065 1.00 73.13 H new ATOM 0 HZ3 LYS A 63 4.123 10.266 -14.054 1.00 73.13 H new ATOM 1055 N ASP A 64 5.255 11.678 -9.054 1.00 70.20 N ATOM 1056 CA ASP A 64 5.370 13.120 -8.734 1.00 64.13 C ATOM 1057 C ASP A 64 6.334 13.362 -7.548 1.00 53.34 C ATOM 1058 O ASP A 64 7.115 14.316 -7.556 1.00 11.00 O ATOM 1059 CB ASP A 64 3.971 13.700 -8.416 1.00 40.52 C ATOM 1060 CG ASP A 64 2.948 13.416 -9.527 1.00 74.54 C ATOM 1061 OD1 ASP A 64 3.241 13.712 -10.708 1.00 71.40 O ATOM 1062 OD2 ASP A 64 1.859 12.880 -9.234 1.00 23.04 O ATOM 0 H ASP A 64 4.530 11.198 -8.521 1.00 70.20 H new ATOM 0 HA ASP A 64 5.783 13.629 -9.605 1.00 64.13 H new ATOM 0 HB2 ASP A 64 3.611 13.277 -7.478 1.00 40.52 H new ATOM 0 HB3 ASP A 64 4.053 14.777 -8.269 1.00 40.52 H new ATOM 1067 N ALA A 65 6.278 12.473 -6.538 1.00 41.55 N ATOM 1068 CA ALA A 65 7.121 12.550 -5.322 1.00 11.15 C ATOM 1069 C ALA A 65 7.831 11.187 -5.062 1.00 62.31 C ATOM 1070 O ALA A 65 7.295 10.322 -4.354 1.00 70.44 O ATOM 1071 CB ALA A 65 6.272 12.985 -4.105 1.00 41.54 C ATOM 0 H ALA A 65 5.643 11.675 -6.540 1.00 41.55 H new ATOM 0 HA ALA A 65 7.894 13.303 -5.477 1.00 11.15 H new ATOM 0 HB1 ALA A 65 6.905 13.037 -3.219 1.00 41.54 H new ATOM 0 HB2 ALA A 65 5.836 13.965 -4.297 1.00 41.54 H new ATOM 0 HB3 ALA A 65 5.475 12.260 -3.939 1.00 41.54 H new ATOM 1077 N PRO A 66 9.030 10.939 -5.691 1.00 53.22 N ATOM 1078 CA PRO A 66 9.854 9.734 -5.434 1.00 13.51 C ATOM 1079 C PRO A 66 10.770 9.930 -4.195 1.00 31.23 C ATOM 1080 O PRO A 66 12.004 9.911 -4.296 1.00 20.30 O ATOM 1081 CB PRO A 66 10.662 9.560 -6.767 1.00 44.12 C ATOM 1082 CG PRO A 66 10.305 10.750 -7.636 1.00 33.14 C ATOM 1083 CD PRO A 66 9.675 11.779 -6.723 1.00 21.11 C ATOM 0 HA PRO A 66 9.267 8.848 -5.193 1.00 13.51 H new ATOM 0 HB2 PRO A 66 11.734 9.528 -6.571 1.00 44.12 H new ATOM 0 HB3 PRO A 66 10.401 8.624 -7.261 1.00 44.12 H new ATOM 0 HG2 PRO A 66 11.193 11.155 -8.122 1.00 33.14 H new ATOM 0 HG3 PRO A 66 9.614 10.459 -8.427 1.00 33.14 H new ATOM 0 HD2 PRO A 66 10.419 12.450 -6.293 1.00 21.11 H new ATOM 0 HD3 PRO A 66 8.952 12.401 -7.250 1.00 21.11 H new ATOM 1091 N ASN A 67 10.135 10.102 -3.020 1.00 31.11 N ATOM 1092 CA ASN A 67 10.826 10.429 -1.745 1.00 13.34 C ATOM 1093 C ASN A 67 11.414 9.175 -1.021 1.00 1.53 C ATOM 1094 O ASN A 67 11.079 8.905 0.136 1.00 62.10 O ATOM 1095 CB ASN A 67 9.862 11.249 -0.832 1.00 12.43 C ATOM 1096 CG ASN A 67 8.476 10.609 -0.671 1.00 33.02 C ATOM 1097 OD1 ASN A 67 7.549 10.896 -1.416 1.00 61.34 O ATOM 1098 ND2 ASN A 67 8.335 9.725 0.289 1.00 42.54 N ATOM 0 H ASN A 67 9.123 10.019 -2.922 1.00 31.11 H new ATOM 0 HA ASN A 67 11.697 11.041 -1.980 1.00 13.34 H new ATOM 0 HB2 ASN A 67 10.317 11.364 0.152 1.00 12.43 H new ATOM 0 HB3 ASN A 67 9.745 12.250 -1.248 1.00 12.43 H new ATOM 0 HD21 ASN A 67 7.437 9.260 0.427 1.00 42.54 H new ATOM 0 HD22 ASN A 67 9.123 9.503 0.897 1.00 42.54 H new ATOM 1105 N ALA A 68 12.303 8.435 -1.737 1.00 33.25 N ATOM 1106 CA ALA A 68 13.103 7.281 -1.215 1.00 3.34 C ATOM 1107 C ALA A 68 12.239 6.124 -0.631 1.00 70.25 C ATOM 1108 O ALA A 68 12.084 5.070 -1.256 1.00 43.14 O ATOM 1109 CB ALA A 68 14.169 7.765 -0.199 1.00 21.34 C ATOM 0 H ALA A 68 12.492 8.626 -2.721 1.00 33.25 H new ATOM 0 HA ALA A 68 13.611 6.851 -2.078 1.00 3.34 H new ATOM 0 HB1 ALA A 68 14.738 6.910 0.167 1.00 21.34 H new ATOM 0 HB2 ALA A 68 14.844 8.468 -0.687 1.00 21.34 H new ATOM 0 HB3 ALA A 68 13.676 8.258 0.639 1.00 21.34 H new ATOM 1115 N VAL A 69 11.696 6.347 0.581 1.00 1.43 N ATOM 1116 CA VAL A 69 10.774 5.417 1.287 1.00 13.24 C ATOM 1117 C VAL A 69 9.545 5.038 0.406 1.00 23.25 C ATOM 1118 O VAL A 69 9.092 3.886 0.414 1.00 34.13 O ATOM 1119 CB VAL A 69 10.285 6.072 2.641 1.00 65.21 C ATOM 1120 CG1 VAL A 69 9.371 5.125 3.451 1.00 33.44 C ATOM 1121 CG2 VAL A 69 11.489 6.539 3.501 1.00 0.41 C ATOM 0 H VAL A 69 11.886 7.196 1.114 1.00 1.43 H new ATOM 0 HA VAL A 69 11.324 4.500 1.498 1.00 13.24 H new ATOM 0 HB VAL A 69 9.691 6.946 2.373 1.00 65.21 H new ATOM 0 HG11 VAL A 69 9.061 5.619 4.372 1.00 33.44 H new ATOM 0 HG12 VAL A 69 8.491 4.875 2.859 1.00 33.44 H new ATOM 0 HG13 VAL A 69 9.916 4.213 3.694 1.00 33.44 H new ATOM 0 HG21 VAL A 69 11.124 6.985 4.426 1.00 0.41 H new ATOM 0 HG22 VAL A 69 12.122 5.683 3.736 1.00 0.41 H new ATOM 0 HG23 VAL A 69 12.068 7.277 2.946 1.00 0.41 H new ATOM 1131 N MET A 70 9.063 6.028 -0.380 1.00 32.41 N ATOM 1132 CA MET A 70 7.918 5.870 -1.318 1.00 44.11 C ATOM 1133 C MET A 70 8.194 4.755 -2.374 1.00 21.32 C ATOM 1134 O MET A 70 7.289 4.027 -2.786 1.00 51.35 O ATOM 1135 CB MET A 70 7.645 7.237 -2.022 1.00 20.02 C ATOM 1136 CG MET A 70 6.232 7.396 -2.606 1.00 63.42 C ATOM 1137 SD MET A 70 4.968 7.418 -1.313 1.00 40.05 S ATOM 1138 CE MET A 70 3.478 7.757 -2.248 1.00 0.40 C ATOM 0 H MET A 70 9.458 6.968 -0.384 1.00 32.41 H new ATOM 0 HA MET A 70 7.038 5.566 -0.751 1.00 44.11 H new ATOM 0 HB2 MET A 70 7.818 8.039 -1.304 1.00 20.02 H new ATOM 0 HB3 MET A 70 8.370 7.366 -2.825 1.00 20.02 H new ATOM 0 HG2 MET A 70 6.179 8.320 -3.182 1.00 63.42 H new ATOM 0 HG3 MET A 70 6.030 6.578 -3.297 1.00 63.42 H new ATOM 0 HE1 MET A 70 2.609 7.421 -1.682 1.00 0.40 H new ATOM 0 HE2 MET A 70 3.399 8.829 -2.431 1.00 0.40 H new ATOM 0 HE3 MET A 70 3.518 7.228 -3.200 1.00 0.40 H new ATOM 1148 N GLU A 71 9.471 4.642 -2.788 1.00 72.45 N ATOM 1149 CA GLU A 71 9.944 3.613 -3.751 1.00 5.04 C ATOM 1150 C GLU A 71 10.051 2.230 -3.065 1.00 24.05 C ATOM 1151 O GLU A 71 9.527 1.229 -3.566 1.00 34.01 O ATOM 1152 CB GLU A 71 11.324 4.075 -4.334 1.00 24.31 C ATOM 1153 CG GLU A 71 11.931 3.229 -5.495 1.00 42.40 C ATOM 1154 CD GLU A 71 12.589 1.905 -5.052 1.00 23.31 C ATOM 1155 OE1 GLU A 71 13.599 1.951 -4.319 1.00 63.54 O ATOM 1156 OE2 GLU A 71 12.095 0.817 -5.421 1.00 64.42 O ATOM 0 H GLU A 71 10.213 5.263 -2.465 1.00 72.45 H new ATOM 0 HA GLU A 71 9.228 3.507 -4.566 1.00 5.04 H new ATOM 0 HB2 GLU A 71 11.215 5.101 -4.686 1.00 24.31 H new ATOM 0 HB3 GLU A 71 12.046 4.093 -3.517 1.00 24.31 H new ATOM 0 HG2 GLU A 71 11.143 3.005 -6.214 1.00 42.40 H new ATOM 0 HG3 GLU A 71 12.675 3.832 -6.016 1.00 42.40 H new ATOM 1163 N GLN A 72 10.741 2.208 -1.916 1.00 53.15 N ATOM 1164 CA GLN A 72 11.062 0.969 -1.161 1.00 31.24 C ATOM 1165 C GLN A 72 9.800 0.175 -0.753 1.00 72.20 C ATOM 1166 O GLN A 72 9.745 -1.055 -0.870 1.00 43.32 O ATOM 1167 CB GLN A 72 11.892 1.351 0.090 1.00 54.24 C ATOM 1168 CG GLN A 72 13.205 2.105 -0.233 1.00 43.32 C ATOM 1169 CD GLN A 72 13.914 2.668 0.998 1.00 2.13 C ATOM 1170 OE1 GLN A 72 13.838 2.112 2.084 1.00 33.31 O ATOM 1171 NE2 GLN A 72 14.605 3.779 0.840 1.00 73.14 N ATOM 0 H GLN A 72 11.100 3.054 -1.473 1.00 53.15 H new ATOM 0 HA GLN A 72 11.637 0.312 -1.814 1.00 31.24 H new ATOM 0 HB2 GLN A 72 11.280 1.972 0.744 1.00 54.24 H new ATOM 0 HB3 GLN A 72 12.133 0.444 0.645 1.00 54.24 H new ATOM 0 HG2 GLN A 72 13.883 1.428 -0.753 1.00 43.32 H new ATOM 0 HG3 GLN A 72 12.984 2.923 -0.919 1.00 43.32 H new ATOM 0 HE21 GLN A 72 14.653 4.224 -0.077 1.00 73.14 H new ATOM 0 HE22 GLN A 72 15.092 4.194 1.634 1.00 73.14 H new ATOM 1180 N LEU A 73 8.785 0.914 -0.290 1.00 41.23 N ATOM 1181 CA LEU A 73 7.489 0.347 0.119 1.00 2.10 C ATOM 1182 C LEU A 73 6.614 -0.053 -1.083 1.00 72.31 C ATOM 1183 O LEU A 73 5.813 -0.977 -0.969 1.00 15.22 O ATOM 1184 CB LEU A 73 6.747 1.337 1.034 1.00 23.30 C ATOM 1185 CG LEU A 73 7.442 1.602 2.407 1.00 61.53 C ATOM 1186 CD1 LEU A 73 6.731 2.714 3.191 1.00 72.24 C ATOM 1187 CD2 LEU A 73 7.536 0.302 3.253 1.00 75.40 C ATOM 0 H LEU A 73 8.837 1.927 -0.187 1.00 41.23 H new ATOM 0 HA LEU A 73 7.692 -0.570 0.672 1.00 2.10 H new ATOM 0 HB2 LEU A 73 6.638 2.285 0.508 1.00 23.30 H new ATOM 0 HB3 LEU A 73 5.742 0.958 1.218 1.00 23.30 H new ATOM 0 HG LEU A 73 8.457 1.940 2.196 1.00 61.53 H new ATOM 0 HD11 LEU A 73 7.241 2.872 4.141 1.00 72.24 H new ATOM 0 HD12 LEU A 73 6.749 3.637 2.611 1.00 72.24 H new ATOM 0 HD13 LEU A 73 5.697 2.423 3.378 1.00 72.24 H new ATOM 0 HD21 LEU A 73 8.025 0.520 4.203 1.00 75.40 H new ATOM 0 HD22 LEU A 73 6.534 -0.083 3.441 1.00 75.40 H new ATOM 0 HD23 LEU A 73 8.116 -0.444 2.710 1.00 75.40 H new ATOM 1199 N LEU A 74 6.762 0.652 -2.224 1.00 40.24 N ATOM 1200 CA LEU A 74 6.079 0.284 -3.494 1.00 63.00 C ATOM 1201 C LEU A 74 6.551 -1.128 -3.953 1.00 55.12 C ATOM 1202 O LEU A 74 5.747 -1.952 -4.416 1.00 43.10 O ATOM 1203 CB LEU A 74 6.338 1.381 -4.579 1.00 23.14 C ATOM 1204 CG LEU A 74 5.301 1.511 -5.759 1.00 43.33 C ATOM 1205 CD1 LEU A 74 5.512 2.837 -6.522 1.00 40.10 C ATOM 1206 CD2 LEU A 74 5.344 0.317 -6.748 1.00 43.52 C ATOM 0 H LEU A 74 7.349 1.483 -2.297 1.00 40.24 H new ATOM 0 HA LEU A 74 5.001 0.235 -3.337 1.00 63.00 H new ATOM 0 HB2 LEU A 74 6.392 2.345 -4.073 1.00 23.14 H new ATOM 0 HB3 LEU A 74 7.319 1.195 -5.015 1.00 23.14 H new ATOM 0 HG LEU A 74 4.313 1.503 -5.299 1.00 43.33 H new ATOM 0 HD11 LEU A 74 4.787 2.909 -7.333 1.00 40.10 H new ATOM 0 HD12 LEU A 74 5.377 3.675 -5.839 1.00 40.10 H new ATOM 0 HD13 LEU A 74 6.521 2.863 -6.934 1.00 40.10 H new ATOM 0 HD21 LEU A 74 4.606 0.470 -7.535 1.00 43.52 H new ATOM 0 HD22 LEU A 74 6.338 0.247 -7.191 1.00 43.52 H new ATOM 0 HD23 LEU A 74 5.119 -0.606 -6.214 1.00 43.52 H new ATOM 1218 N GLU A 75 7.865 -1.395 -3.784 1.00 63.50 N ATOM 1219 CA GLU A 75 8.464 -2.719 -4.057 1.00 70.12 C ATOM 1220 C GLU A 75 7.938 -3.797 -3.067 1.00 61.52 C ATOM 1221 O GLU A 75 7.698 -4.942 -3.463 1.00 61.22 O ATOM 1222 CB GLU A 75 10.010 -2.633 -3.992 1.00 24.35 C ATOM 1223 CG GLU A 75 10.729 -3.954 -4.335 1.00 62.44 C ATOM 1224 CD GLU A 75 12.253 -3.868 -4.216 1.00 63.42 C ATOM 1225 OE1 GLU A 75 12.918 -3.493 -5.205 1.00 0.04 O ATOM 1226 OE2 GLU A 75 12.793 -4.159 -3.129 1.00 51.40 O ATOM 0 H GLU A 75 8.537 -0.701 -3.456 1.00 63.50 H new ATOM 0 HA GLU A 75 8.168 -3.019 -5.062 1.00 70.12 H new ATOM 0 HB2 GLU A 75 10.349 -1.858 -4.679 1.00 24.35 H new ATOM 0 HB3 GLU A 75 10.304 -2.321 -2.990 1.00 24.35 H new ATOM 0 HG2 GLU A 75 10.364 -4.739 -3.673 1.00 62.44 H new ATOM 0 HG3 GLU A 75 10.468 -4.247 -5.352 1.00 62.44 H new ATOM 1233 N GLU A 76 7.782 -3.407 -1.777 1.00 63.33 N ATOM 1234 CA GLU A 76 7.168 -4.260 -0.717 1.00 75.32 C ATOM 1235 C GLU A 76 5.762 -4.764 -1.120 1.00 44.20 C ATOM 1236 O GLU A 76 5.423 -5.928 -0.886 1.00 1.02 O ATOM 1237 CB GLU A 76 7.094 -3.469 0.627 1.00 75.41 C ATOM 1238 CG GLU A 76 8.426 -3.367 1.413 1.00 21.14 C ATOM 1239 CD GLU A 76 8.676 -4.583 2.329 1.00 73.23 C ATOM 1240 OE1 GLU A 76 9.056 -5.667 1.834 1.00 62.12 O ATOM 1241 OE2 GLU A 76 8.461 -4.469 3.559 1.00 53.31 O ATOM 0 H GLU A 76 8.077 -2.492 -1.438 1.00 63.33 H new ATOM 0 HA GLU A 76 7.803 -5.137 -0.589 1.00 75.32 H new ATOM 0 HB2 GLU A 76 6.738 -2.461 0.416 1.00 75.41 H new ATOM 0 HB3 GLU A 76 6.350 -3.942 1.267 1.00 75.41 H new ATOM 0 HG2 GLU A 76 9.252 -3.273 0.708 1.00 21.14 H new ATOM 0 HG3 GLU A 76 8.418 -2.459 2.016 1.00 21.14 H new ATOM 1248 N ILE A 77 4.960 -3.875 -1.740 1.00 12.33 N ATOM 1249 CA ILE A 77 3.603 -4.217 -2.229 1.00 14.22 C ATOM 1250 C ILE A 77 3.670 -5.318 -3.320 1.00 2.52 C ATOM 1251 O ILE A 77 2.837 -6.220 -3.340 1.00 44.33 O ATOM 1252 CB ILE A 77 2.857 -2.963 -2.819 1.00 64.11 C ATOM 1253 CG1 ILE A 77 2.910 -1.754 -1.842 1.00 55.25 C ATOM 1254 CG2 ILE A 77 1.383 -3.300 -3.161 1.00 64.34 C ATOM 1255 CD1 ILE A 77 2.460 -0.441 -2.449 1.00 4.14 C ATOM 0 H ILE A 77 5.229 -2.907 -1.916 1.00 12.33 H new ATOM 0 HA ILE A 77 3.045 -4.583 -1.367 1.00 14.22 H new ATOM 0 HB ILE A 77 3.376 -2.685 -3.736 1.00 64.11 H new ATOM 0 HG12 ILE A 77 2.285 -1.974 -0.977 1.00 55.25 H new ATOM 0 HG13 ILE A 77 3.931 -1.641 -1.477 1.00 55.25 H new ATOM 0 HG21 ILE A 77 0.892 -2.415 -3.567 1.00 64.34 H new ATOM 0 HG22 ILE A 77 1.355 -4.101 -3.899 1.00 64.34 H new ATOM 0 HG23 ILE A 77 0.864 -3.621 -2.258 1.00 64.34 H new ATOM 0 HD11 ILE A 77 2.528 0.348 -1.700 1.00 4.14 H new ATOM 0 HD12 ILE A 77 3.100 -0.194 -3.296 1.00 4.14 H new ATOM 0 HD13 ILE A 77 1.428 -0.531 -2.788 1.00 4.14 H new ATOM 1267 N GLU A 78 4.683 -5.221 -4.219 1.00 65.52 N ATOM 1268 CA GLU A 78 4.894 -6.199 -5.321 1.00 12.30 C ATOM 1269 C GLU A 78 5.225 -7.609 -4.758 1.00 12.33 C ATOM 1270 O GLU A 78 4.761 -8.614 -5.293 1.00 23.01 O ATOM 1271 CB GLU A 78 6.018 -5.691 -6.282 1.00 3.12 C ATOM 1272 CG GLU A 78 6.146 -6.415 -7.662 1.00 3.54 C ATOM 1273 CD GLU A 78 6.708 -7.859 -7.616 1.00 21.22 C ATOM 1274 OE1 GLU A 78 7.837 -8.049 -7.112 1.00 12.21 O ATOM 1275 OE2 GLU A 78 6.036 -8.802 -8.098 1.00 70.23 O ATOM 0 H GLU A 78 5.372 -4.469 -4.202 1.00 65.52 H new ATOM 0 HA GLU A 78 3.970 -6.286 -5.892 1.00 12.30 H new ATOM 0 HB2 GLU A 78 5.851 -4.630 -6.469 1.00 3.12 H new ATOM 0 HB3 GLU A 78 6.973 -5.777 -5.763 1.00 3.12 H new ATOM 0 HG2 GLU A 78 5.162 -6.443 -8.129 1.00 3.54 H new ATOM 0 HG3 GLU A 78 6.788 -5.816 -8.307 1.00 3.54 H new ATOM 1282 N LYS A 79 6.023 -7.660 -3.675 1.00 32.20 N ATOM 1283 CA LYS A 79 6.404 -8.933 -3.004 1.00 22.14 C ATOM 1284 C LYS A 79 5.149 -9.696 -2.491 1.00 23.31 C ATOM 1285 O LYS A 79 5.055 -10.923 -2.596 1.00 35.01 O ATOM 1286 CB LYS A 79 7.379 -8.635 -1.829 1.00 21.52 C ATOM 1287 CG LYS A 79 8.622 -7.787 -2.215 1.00 33.22 C ATOM 1288 CD LYS A 79 9.521 -7.457 -0.996 1.00 74.43 C ATOM 1289 CE LYS A 79 10.603 -6.400 -1.291 1.00 52.34 C ATOM 1290 NZ LYS A 79 11.545 -6.819 -2.357 1.00 54.53 N ATOM 0 H LYS A 79 6.423 -6.830 -3.237 1.00 32.20 H new ATOM 0 HA LYS A 79 6.904 -9.572 -3.732 1.00 22.14 H new ATOM 0 HB2 LYS A 79 6.831 -8.115 -1.043 1.00 21.52 H new ATOM 0 HB3 LYS A 79 7.718 -9.581 -1.408 1.00 21.52 H new ATOM 0 HG2 LYS A 79 9.208 -8.327 -2.959 1.00 33.22 H new ATOM 0 HG3 LYS A 79 8.293 -6.858 -2.681 1.00 33.22 H new ATOM 0 HD2 LYS A 79 8.893 -7.103 -0.178 1.00 74.43 H new ATOM 0 HD3 LYS A 79 10.004 -8.372 -0.654 1.00 74.43 H new ATOM 0 HE2 LYS A 79 10.122 -5.467 -1.585 1.00 52.34 H new ATOM 0 HE3 LYS A 79 11.163 -6.196 -0.378 1.00 52.34 H new ATOM 0 HZ1 LYS A 79 12.129 -6.007 -2.643 1.00 54.53 H new ATOM 0 HZ2 LYS A 79 12.159 -7.579 -1.999 1.00 54.53 H new ATOM 0 HZ3 LYS A 79 11.009 -7.165 -3.178 1.00 54.53 H new ATOM 1304 N LEU A 80 4.190 -8.928 -1.941 1.00 70.31 N ATOM 1305 CA LEU A 80 2.888 -9.447 -1.444 1.00 24.01 C ATOM 1306 C LEU A 80 1.886 -9.709 -2.595 1.00 44.12 C ATOM 1307 O LEU A 80 1.001 -10.554 -2.468 1.00 2.11 O ATOM 1308 CB LEU A 80 2.277 -8.464 -0.405 1.00 52.44 C ATOM 1309 CG LEU A 80 2.886 -8.507 1.041 1.00 71.12 C ATOM 1310 CD1 LEU A 80 4.407 -8.218 1.072 1.00 3.12 C ATOM 1311 CD2 LEU A 80 2.120 -7.540 1.965 1.00 50.02 C ATOM 0 H LEU A 80 4.292 -7.920 -1.825 1.00 70.31 H new ATOM 0 HA LEU A 80 3.082 -10.405 -0.961 1.00 24.01 H new ATOM 0 HB2 LEU A 80 2.384 -7.450 -0.790 1.00 52.44 H new ATOM 0 HB3 LEU A 80 1.208 -8.666 -0.331 1.00 52.44 H new ATOM 0 HG LEU A 80 2.768 -9.527 1.407 1.00 71.12 H new ATOM 0 HD11 LEU A 80 4.765 -8.263 2.101 1.00 3.12 H new ATOM 0 HD12 LEU A 80 4.931 -8.962 0.472 1.00 3.12 H new ATOM 0 HD13 LEU A 80 4.597 -7.225 0.665 1.00 3.12 H new ATOM 0 HD21 LEU A 80 2.549 -7.577 2.966 1.00 50.02 H new ATOM 0 HD22 LEU A 80 2.197 -6.525 1.574 1.00 50.02 H new ATOM 0 HD23 LEU A 80 1.071 -7.833 2.009 1.00 50.02 H new ATOM 1323 N LEU A 81 2.010 -8.932 -3.680 1.00 33.41 N ATOM 1324 CA LEU A 81 1.219 -9.108 -4.928 1.00 52.31 C ATOM 1325 C LEU A 81 1.544 -10.500 -5.528 1.00 3.01 C ATOM 1326 O LEU A 81 0.666 -11.219 -6.017 1.00 20.20 O ATOM 1327 CB LEU A 81 1.594 -7.945 -5.920 1.00 14.32 C ATOM 1328 CG LEU A 81 0.518 -7.436 -6.938 1.00 64.41 C ATOM 1329 CD1 LEU A 81 1.070 -6.249 -7.775 1.00 33.41 C ATOM 1330 CD2 LEU A 81 -0.016 -8.553 -7.866 1.00 42.30 C ATOM 0 H LEU A 81 2.666 -8.153 -3.727 1.00 33.41 H new ATOM 0 HA LEU A 81 0.148 -9.063 -4.733 1.00 52.31 H new ATOM 0 HB2 LEU A 81 1.909 -7.091 -5.321 1.00 14.32 H new ATOM 0 HB3 LEU A 81 2.462 -8.270 -6.494 1.00 14.32 H new ATOM 0 HG LEU A 81 -0.329 -7.092 -6.344 1.00 64.41 H new ATOM 0 HD11 LEU A 81 0.306 -5.911 -8.475 1.00 33.41 H new ATOM 0 HD12 LEU A 81 1.340 -5.429 -7.110 1.00 33.41 H new ATOM 0 HD13 LEU A 81 1.952 -6.573 -8.328 1.00 33.41 H new ATOM 0 HD21 LEU A 81 -0.758 -8.136 -8.547 1.00 42.30 H new ATOM 0 HD22 LEU A 81 0.809 -8.974 -8.441 1.00 42.30 H new ATOM 0 HD23 LEU A 81 -0.476 -9.337 -7.264 1.00 42.30 H new ATOM 1342 N LYS A 82 2.840 -10.836 -5.463 1.00 52.30 N ATOM 1343 CA LYS A 82 3.400 -12.100 -5.946 1.00 52.32 C ATOM 1344 C LYS A 82 3.060 -13.287 -5.005 1.00 70.41 C ATOM 1345 O LYS A 82 2.769 -14.398 -5.471 1.00 34.21 O ATOM 1346 CB LYS A 82 4.949 -11.943 -6.096 1.00 10.52 C ATOM 1347 CG LYS A 82 5.667 -13.028 -6.947 1.00 40.34 C ATOM 1348 CD LYS A 82 5.670 -12.735 -8.479 1.00 13.43 C ATOM 1349 CE LYS A 82 4.285 -12.786 -9.150 1.00 13.14 C ATOM 1350 NZ LYS A 82 4.362 -12.494 -10.608 1.00 21.21 N ATOM 0 H LYS A 82 3.544 -10.217 -5.062 1.00 52.30 H new ATOM 0 HA LYS A 82 2.952 -12.329 -6.913 1.00 52.32 H new ATOM 0 HB2 LYS A 82 5.154 -10.968 -6.539 1.00 10.52 H new ATOM 0 HB3 LYS A 82 5.392 -11.940 -5.100 1.00 10.52 H new ATOM 0 HG2 LYS A 82 6.697 -13.121 -6.604 1.00 40.34 H new ATOM 0 HG3 LYS A 82 5.185 -13.990 -6.773 1.00 40.34 H new ATOM 0 HD2 LYS A 82 6.102 -11.748 -8.645 1.00 13.43 H new ATOM 0 HD3 LYS A 82 6.323 -13.456 -8.971 1.00 13.43 H new ATOM 0 HE2 LYS A 82 3.845 -13.772 -9.000 1.00 13.14 H new ATOM 0 HE3 LYS A 82 3.623 -12.065 -8.670 1.00 13.14 H new ATOM 0 HZ1 LYS A 82 3.409 -12.538 -11.022 1.00 21.21 H new ATOM 0 HZ2 LYS A 82 4.758 -11.543 -10.751 1.00 21.21 H new ATOM 0 HZ3 LYS A 82 4.973 -13.197 -11.071 1.00 21.21 H new ATOM 1364 N LYS A 83 3.131 -13.033 -3.675 1.00 42.43 N ATOM 1365 CA LYS A 83 2.929 -14.069 -2.629 1.00 52.05 C ATOM 1366 C LYS A 83 1.430 -14.490 -2.540 1.00 65.20 C ATOM 1367 O LYS A 83 1.097 -15.681 -2.586 1.00 54.14 O ATOM 1368 CB LYS A 83 3.465 -13.555 -1.238 1.00 54.35 C ATOM 1369 CG LYS A 83 4.059 -14.650 -0.304 1.00 71.12 C ATOM 1370 CD LYS A 83 3.032 -15.713 0.180 1.00 20.11 C ATOM 1371 CE LYS A 83 3.698 -16.908 0.888 1.00 41.34 C ATOM 1372 NZ LYS A 83 4.626 -17.639 -0.017 1.00 55.23 N ATOM 0 H LYS A 83 3.329 -12.107 -3.297 1.00 42.43 H new ATOM 0 HA LYS A 83 3.500 -14.955 -2.906 1.00 52.05 H new ATOM 0 HB2 LYS A 83 4.232 -12.802 -1.419 1.00 54.35 H new ATOM 0 HB3 LYS A 83 2.648 -13.059 -0.714 1.00 54.35 H new ATOM 0 HG2 LYS A 83 4.868 -15.158 -0.829 1.00 71.12 H new ATOM 0 HG3 LYS A 83 4.500 -14.166 0.568 1.00 71.12 H new ATOM 0 HD2 LYS A 83 2.323 -15.243 0.861 1.00 20.11 H new ATOM 0 HD3 LYS A 83 2.461 -16.075 -0.675 1.00 20.11 H new ATOM 0 HE2 LYS A 83 4.246 -16.554 1.761 1.00 41.34 H new ATOM 0 HE3 LYS A 83 2.929 -17.591 1.249 1.00 41.34 H new ATOM 0 HZ1 LYS A 83 4.843 -18.572 0.388 1.00 55.23 H new ATOM 0 HZ2 LYS A 83 4.178 -17.762 -0.948 1.00 55.23 H new ATOM 0 HZ3 LYS A 83 5.506 -17.095 -0.125 1.00 55.23 H new ATOM 1386 N ALA A 84 0.543 -13.495 -2.393 1.00 12.22 N ATOM 1387 CA ALA A 84 -0.916 -13.718 -2.299 1.00 0.04 C ATOM 1388 C ALA A 84 -1.535 -13.979 -3.697 1.00 50.55 C ATOM 1389 O ALA A 84 -0.988 -13.559 -4.727 1.00 52.32 O ATOM 1390 CB ALA A 84 -1.590 -12.519 -1.604 1.00 50.51 C ATOM 0 H ALA A 84 0.812 -12.513 -2.335 1.00 12.22 H new ATOM 0 HA ALA A 84 -1.092 -14.609 -1.697 1.00 0.04 H new ATOM 0 HB1 ALA A 84 -2.664 -12.693 -1.540 1.00 50.51 H new ATOM 0 HB2 ALA A 84 -1.180 -12.403 -0.601 1.00 50.51 H new ATOM 0 HB3 ALA A 84 -1.403 -11.613 -2.180 1.00 50.51 H new