USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 496 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 11 ASN : amide:sc= 0.781 K(o=0.82,f=-6.9!) USER MOD Set 1.2: A 70 TYR OH : rot -45:sc= 0.0427 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 148:sc= -0.0168 (180deg=-0.586) USER MOD Single : A 24 LYS NZ :NH3+ -117:sc= 0.382 (180deg=-1.62!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.35) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0302 USER MOD Single : A 50 MET CE :methyl -143:sc= 0 (180deg=-0.218) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 2.43 (180deg=2.16) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0299) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -131:sc= 0 (180deg=-0.00633) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -11.983 1.512 0.940 1.00 30.23 N ATOM 85 CA ALA A 6 -11.109 1.461 -0.220 1.00 64.25 C ATOM 86 C ALA A 6 -9.691 1.908 0.115 1.00 43.25 C ATOM 87 O ALA A 6 -8.756 1.331 -0.436 1.00 11.24 O ATOM 88 CB ALA A 6 -11.686 2.305 -1.361 1.00 61.05 C ATOM 0 HA ALA A 6 -11.053 0.421 -0.543 1.00 64.25 H new ATOM 0 HB1 ALA A 6 -11.020 2.256 -2.222 1.00 61.05 H new ATOM 0 HB2 ALA A 6 -12.667 1.919 -1.639 1.00 61.05 H new ATOM 0 HB3 ALA A 6 -11.782 3.341 -1.035 1.00 61.05 H new ATOM 94 N GLU A 7 -9.504 2.919 0.965 1.00 51.24 N ATOM 95 CA GLU A 7 -8.172 3.378 1.386 1.00 71.01 C ATOM 96 C GLU A 7 -7.470 2.232 2.099 1.00 3.50 C ATOM 97 O GLU A 7 -6.489 1.713 1.581 1.00 45.11 O ATOM 98 CB GLU A 7 -8.257 4.627 2.283 1.00 2.33 C ATOM 99 CG GLU A 7 -8.151 5.937 1.487 1.00 61.01 C ATOM 100 CD GLU A 7 -8.644 7.121 2.318 1.00 24.02 C ATOM 101 OE1 GLU A 7 -9.867 7.369 2.367 1.00 64.21 O ATOM 102 OE2 GLU A 7 -7.814 7.796 2.971 1.00 71.02 O ATOM 0 H GLU A 7 -10.271 3.446 1.384 1.00 51.24 H new ATOM 0 HA GLU A 7 -7.598 3.670 0.507 1.00 71.01 H new ATOM 0 HB2 GLU A 7 -9.200 4.614 2.829 1.00 2.33 H new ATOM 0 HB3 GLU A 7 -7.459 4.592 3.025 1.00 2.33 H new ATOM 0 HG2 GLU A 7 -7.116 6.103 1.188 1.00 61.01 H new ATOM 0 HG3 GLU A 7 -8.738 5.860 0.572 1.00 61.01 H new ATOM 109 N ALA A 8 -8.022 1.761 3.219 1.00 25.10 N ATOM 110 CA ALA A 8 -7.448 0.701 4.029 1.00 24.24 C ATOM 111 C ALA A 8 -7.045 -0.503 3.172 1.00 5.53 C ATOM 112 O ALA A 8 -5.971 -1.070 3.371 1.00 74.21 O ATOM 113 CB ALA A 8 -8.463 0.288 5.097 1.00 44.22 C ATOM 0 H ALA A 8 -8.902 2.119 3.591 1.00 25.10 H new ATOM 0 HA ALA A 8 -6.541 1.073 4.507 1.00 24.24 H new ATOM 0 HB1 ALA A 8 -8.042 -0.508 5.711 1.00 44.22 H new ATOM 0 HB2 ALA A 8 -8.698 1.146 5.727 1.00 44.22 H new ATOM 0 HB3 ALA A 8 -9.373 -0.069 4.615 1.00 44.22 H new ATOM 119 N ARG A 9 -7.889 -0.890 2.207 1.00 34.22 N ATOM 120 CA ARG A 9 -7.618 -2.006 1.306 1.00 14.14 C ATOM 121 C ARG A 9 -6.471 -1.676 0.342 1.00 14.52 C ATOM 122 O ARG A 9 -5.556 -2.479 0.207 1.00 22.43 O ATOM 123 CB ARG A 9 -8.923 -2.403 0.589 1.00 52.31 C ATOM 124 CG ARG A 9 -8.914 -3.817 -0.024 1.00 31.30 C ATOM 125 CD ARG A 9 -8.827 -4.947 1.019 1.00 71.35 C ATOM 126 NE ARG A 9 -9.884 -4.861 2.047 1.00 10.51 N ATOM 127 CZ ARG A 9 -11.064 -5.492 2.062 1.00 71.14 C ATOM 128 NH1 ARG A 9 -11.450 -6.275 1.060 1.00 31.11 N ATOM 129 NH2 ARG A 9 -11.890 -5.327 3.084 1.00 71.43 N ATOM 0 H ARG A 9 -8.783 -0.432 2.032 1.00 34.22 H new ATOM 0 HA ARG A 9 -7.277 -2.870 1.876 1.00 14.14 H new ATOM 0 HB2 ARG A 9 -9.747 -2.334 1.299 1.00 52.31 H new ATOM 0 HB3 ARG A 9 -9.122 -1.680 -0.202 1.00 52.31 H new ATOM 0 HG2 ARG A 9 -9.819 -3.951 -0.617 1.00 31.30 H new ATOM 0 HG3 ARG A 9 -8.069 -3.901 -0.708 1.00 31.30 H new ATOM 0 HD2 ARG A 9 -8.897 -5.909 0.512 1.00 71.35 H new ATOM 0 HD3 ARG A 9 -7.851 -4.913 1.504 1.00 71.35 H new ATOM 0 HE ARG A 9 -9.692 -4.248 2.839 1.00 10.51 H new ATOM 0 HH11 ARG A 9 -10.841 -6.407 0.252 1.00 31.11 H new ATOM 0 HH12 ARG A 9 -12.355 -6.744 1.098 1.00 31.11 H new ATOM 0 HH21 ARG A 9 -11.627 -4.719 3.860 1.00 71.43 H new ATOM 0 HH22 ARG A 9 -12.789 -5.808 3.096 1.00 71.43 H new ATOM 143 N ARG A 10 -6.484 -0.518 -0.332 1.00 31.13 N ATOM 144 CA ARG A 10 -5.418 -0.052 -1.238 1.00 21.51 C ATOM 145 C ARG A 10 -4.090 -0.037 -0.491 1.00 70.54 C ATOM 146 O ARG A 10 -3.112 -0.603 -0.978 1.00 73.42 O ATOM 147 CB ARG A 10 -5.833 1.327 -1.797 1.00 54.01 C ATOM 148 CG ARG A 10 -4.995 1.937 -2.936 1.00 34.31 C ATOM 149 CD ARG A 10 -3.768 2.766 -2.539 1.00 44.25 C ATOM 150 NE ARG A 10 -4.112 3.890 -1.662 1.00 2.30 N ATOM 151 CZ ARG A 10 -4.150 5.207 -1.905 1.00 33.51 C ATOM 152 NH1 ARG A 10 -3.883 5.710 -3.102 1.00 62.43 N ATOM 153 NH2 ARG A 10 -4.485 6.055 -0.945 1.00 33.14 N ATOM 0 H ARG A 10 -7.258 0.142 -0.262 1.00 31.13 H new ATOM 0 HA ARG A 10 -5.281 -0.722 -2.087 1.00 21.51 H new ATOM 0 HB2 ARG A 10 -6.862 1.247 -2.148 1.00 54.01 H new ATOM 0 HB3 ARG A 10 -5.833 2.035 -0.968 1.00 54.01 H new ATOM 0 HG2 ARG A 10 -4.659 1.124 -3.580 1.00 34.31 H new ATOM 0 HG3 ARG A 10 -5.650 2.569 -3.535 1.00 34.31 H new ATOM 0 HD2 ARG A 10 -3.046 2.123 -2.035 1.00 44.25 H new ATOM 0 HD3 ARG A 10 -3.283 3.146 -3.438 1.00 44.25 H new ATOM 0 HE ARG A 10 -4.364 3.625 -0.710 1.00 2.30 H new ATOM 0 HH11 ARG A 10 -3.639 5.089 -3.873 1.00 62.43 H new ATOM 0 HH12 ARG A 10 -3.921 6.718 -3.252 1.00 62.43 H new ATOM 0 HH21 ARG A 10 -4.716 5.707 -0.015 1.00 33.14 H new ATOM 0 HH22 ARG A 10 -4.512 7.057 -1.136 1.00 33.14 H new ATOM 167 N ASN A 11 -4.071 0.577 0.682 1.00 2.20 N ATOM 168 CA ASN A 11 -2.876 0.821 1.476 1.00 25.22 C ATOM 169 C ASN A 11 -2.309 -0.537 1.913 1.00 25.14 C ATOM 170 O ASN A 11 -1.144 -0.842 1.655 1.00 4.44 O ATOM 171 CB ASN A 11 -3.202 1.796 2.638 1.00 74.21 C ATOM 172 CG ASN A 11 -3.784 3.148 2.184 1.00 52.42 C ATOM 173 OD1 ASN A 11 -4.140 3.328 1.022 1.00 3.22 O ATOM 174 ND2 ASN A 11 -4.018 4.097 3.064 1.00 4.53 N ATOM 0 H ASN A 11 -4.919 0.932 1.124 1.00 2.20 H new ATOM 0 HA ASN A 11 -2.096 1.320 0.901 1.00 25.22 H new ATOM 0 HB2 ASN A 11 -3.911 1.316 3.312 1.00 74.21 H new ATOM 0 HB3 ASN A 11 -2.292 1.979 3.210 1.00 74.21 H new ATOM 0 HD21 ASN A 11 -4.485 4.957 2.775 1.00 4.53 H new ATOM 0 HD22 ASN A 11 -3.733 3.973 4.035 1.00 4.53 H new ATOM 181 N LYS A 12 -3.155 -1.418 2.469 1.00 62.31 N ATOM 182 CA LYS A 12 -2.796 -2.788 2.862 1.00 53.41 C ATOM 183 C LYS A 12 -2.233 -3.583 1.686 1.00 2.41 C ATOM 184 O LYS A 12 -1.156 -4.167 1.805 1.00 32.11 O ATOM 185 CB LYS A 12 -4.032 -3.477 3.469 1.00 70.13 C ATOM 186 CG LYS A 12 -3.794 -4.928 3.910 1.00 22.43 C ATOM 187 CD LYS A 12 -5.048 -5.498 4.577 1.00 1.30 C ATOM 188 CE LYS A 12 -4.857 -6.982 4.895 1.00 32.21 C ATOM 189 NZ LYS A 12 -5.968 -7.529 5.696 1.00 73.25 N ATOM 0 H LYS A 12 -4.131 -1.191 2.662 1.00 62.31 H new ATOM 0 HA LYS A 12 -2.006 -2.746 3.611 1.00 53.41 H new ATOM 0 HB2 LYS A 12 -4.370 -2.899 4.329 1.00 70.13 H new ATOM 0 HB3 LYS A 12 -4.839 -3.460 2.737 1.00 70.13 H new ATOM 0 HG2 LYS A 12 -3.525 -5.537 3.047 1.00 22.43 H new ATOM 0 HG3 LYS A 12 -2.955 -4.970 4.604 1.00 22.43 H new ATOM 0 HD2 LYS A 12 -5.262 -4.948 5.494 1.00 1.30 H new ATOM 0 HD3 LYS A 12 -5.908 -5.368 3.920 1.00 1.30 H new ATOM 0 HE2 LYS A 12 -4.772 -7.543 3.964 1.00 32.21 H new ATOM 0 HE3 LYS A 12 -3.920 -7.118 5.436 1.00 32.21 H new ATOM 0 HZ1 LYS A 12 -5.795 -8.537 5.887 1.00 73.25 H new ATOM 0 HZ2 LYS A 12 -6.034 -7.012 6.596 1.00 73.25 H new ATOM 0 HZ3 LYS A 12 -6.859 -7.424 5.170 1.00 73.25 H new ATOM 203 N LEU A 13 -2.954 -3.618 0.560 1.00 44.43 N ATOM 204 CA LEU A 13 -2.557 -4.385 -0.617 1.00 24.34 C ATOM 205 C LEU A 13 -1.174 -3.953 -1.093 1.00 25.43 C ATOM 206 O LEU A 13 -0.368 -4.815 -1.444 1.00 22.12 O ATOM 207 CB LEU A 13 -3.559 -4.218 -1.768 1.00 70.12 C ATOM 208 CG LEU A 13 -4.873 -4.992 -1.642 1.00 14.32 C ATOM 209 CD1 LEU A 13 -5.832 -4.472 -2.725 1.00 24.44 C ATOM 210 CD2 LEU A 13 -4.637 -6.491 -1.818 1.00 30.52 C ATOM 0 H LEU A 13 -3.832 -3.112 0.443 1.00 44.43 H new ATOM 0 HA LEU A 13 -2.537 -5.435 -0.324 1.00 24.34 H new ATOM 0 HB2 LEU A 13 -3.794 -3.158 -1.865 1.00 70.12 H new ATOM 0 HB3 LEU A 13 -3.070 -4.522 -2.694 1.00 70.12 H new ATOM 0 HG LEU A 13 -5.301 -4.841 -0.651 1.00 14.32 H new ATOM 0 HD11 LEU A 13 -6.779 -5.007 -2.659 1.00 24.44 H new ATOM 0 HD12 LEU A 13 -6.006 -3.406 -2.576 1.00 24.44 H new ATOM 0 HD13 LEU A 13 -5.392 -4.634 -3.709 1.00 24.44 H new ATOM 0 HD21 LEU A 13 -5.584 -7.022 -1.725 1.00 30.52 H new ATOM 0 HD22 LEU A 13 -4.211 -6.679 -2.804 1.00 30.52 H new ATOM 0 HD23 LEU A 13 -3.947 -6.843 -1.051 1.00 30.52 H new ATOM 222 N MET A 14 -0.878 -2.645 -1.125 1.00 65.13 N ATOM 223 CA MET A 14 0.432 -2.198 -1.571 1.00 54.35 C ATOM 224 C MET A 14 1.495 -2.732 -0.625 1.00 13.13 C ATOM 225 O MET A 14 2.507 -3.240 -1.095 1.00 45.15 O ATOM 226 CB MET A 14 0.501 -0.674 -1.654 1.00 45.44 C ATOM 227 CG MET A 14 1.744 -0.248 -2.453 1.00 61.34 C ATOM 228 SD MET A 14 2.643 1.165 -1.771 1.00 34.32 S ATOM 229 CE MET A 14 3.904 1.352 -3.057 1.00 10.03 C ATOM 0 H MET A 14 -1.518 -1.899 -0.852 1.00 65.13 H new ATOM 0 HA MET A 14 0.611 -2.586 -2.574 1.00 54.35 H new ATOM 0 HB2 MET A 14 -0.399 -0.286 -2.131 1.00 45.44 H new ATOM 0 HB3 MET A 14 0.539 -0.248 -0.651 1.00 45.44 H new ATOM 0 HG2 MET A 14 2.425 -1.097 -2.516 1.00 61.34 H new ATOM 0 HG3 MET A 14 1.438 -0.008 -3.471 1.00 61.34 H new ATOM 0 HE1 MET A 14 4.171 2.404 -3.155 1.00 10.03 H new ATOM 0 HE2 MET A 14 4.789 0.777 -2.785 1.00 10.03 H new ATOM 0 HE3 MET A 14 3.512 0.988 -4.007 1.00 10.03 H new ATOM 239 N GLY A 15 1.240 -2.682 0.686 1.00 52.01 N ATOM 240 CA GLY A 15 2.108 -3.272 1.688 1.00 73.55 C ATOM 241 C GLY A 15 2.502 -4.703 1.336 1.00 41.01 C ATOM 242 O GLY A 15 3.686 -5.009 1.363 1.00 65.41 O ATOM 0 H GLY A 15 0.416 -2.225 1.076 1.00 52.01 H new ATOM 0 HA2 GLY A 15 3.007 -2.664 1.791 1.00 73.55 H new ATOM 0 HA3 GLY A 15 1.604 -3.263 2.654 1.00 73.55 H new ATOM 246 N LEU A 16 1.555 -5.566 0.957 1.00 13.33 N ATOM 247 CA LEU A 16 1.869 -6.947 0.602 1.00 13.42 C ATOM 248 C LEU A 16 2.759 -7.047 -0.639 1.00 70.51 C ATOM 249 O LEU A 16 3.631 -7.908 -0.683 1.00 33.55 O ATOM 250 CB LEU A 16 0.575 -7.741 0.383 1.00 30.24 C ATOM 251 CG LEU A 16 -0.176 -8.087 1.680 1.00 74.21 C ATOM 252 CD1 LEU A 16 -1.540 -8.689 1.341 1.00 12.35 C ATOM 253 CD2 LEU A 16 0.588 -9.075 2.571 1.00 13.35 C ATOM 0 H LEU A 16 0.565 -5.330 0.889 1.00 13.33 H new ATOM 0 HA LEU A 16 2.428 -7.372 1.435 1.00 13.42 H new ATOM 0 HB2 LEU A 16 -0.086 -7.166 -0.265 1.00 30.24 H new ATOM 0 HB3 LEU A 16 0.813 -8.665 -0.144 1.00 30.24 H new ATOM 0 HG LEU A 16 -0.284 -7.155 2.235 1.00 74.21 H new ATOM 0 HD11 LEU A 16 -2.069 -8.933 2.262 1.00 12.35 H new ATOM 0 HD12 LEU A 16 -2.123 -7.969 0.767 1.00 12.35 H new ATOM 0 HD13 LEU A 16 -1.401 -9.595 0.751 1.00 12.35 H new ATOM 0 HD21 LEU A 16 0.006 -9.279 3.470 1.00 13.35 H new ATOM 0 HD22 LEU A 16 0.752 -10.005 2.026 1.00 13.35 H new ATOM 0 HD23 LEU A 16 1.549 -8.644 2.851 1.00 13.35 H new ATOM 265 N TRP A 17 2.563 -6.195 -1.653 1.00 31.14 N ATOM 266 CA TRP A 17 3.474 -6.167 -2.799 1.00 32.45 C ATOM 267 C TRP A 17 4.868 -5.707 -2.361 1.00 53.42 C ATOM 268 O TRP A 17 5.851 -6.375 -2.667 1.00 2.01 O ATOM 269 CB TRP A 17 2.932 -5.279 -3.928 1.00 1.12 C ATOM 270 CG TRP A 17 3.913 -5.071 -5.042 1.00 2.14 C ATOM 271 CD1 TRP A 17 4.278 -5.997 -5.956 1.00 45.04 C ATOM 272 CD2 TRP A 17 4.771 -3.916 -5.287 1.00 62.54 C ATOM 273 NE1 TRP A 17 5.276 -5.488 -6.764 1.00 31.54 N ATOM 274 CE2 TRP A 17 5.621 -4.208 -6.391 1.00 21.45 C ATOM 275 CE3 TRP A 17 4.912 -2.646 -4.690 1.00 74.12 C ATOM 276 CZ2 TRP A 17 6.562 -3.287 -6.867 1.00 31.13 C ATOM 277 CZ3 TRP A 17 5.865 -1.718 -5.150 1.00 22.23 C ATOM 278 CH2 TRP A 17 6.689 -2.039 -6.242 1.00 5.02 C ATOM 0 H TRP A 17 1.794 -5.527 -1.702 1.00 31.14 H new ATOM 0 HA TRP A 17 3.551 -7.181 -3.192 1.00 32.45 H new ATOM 0 HB2 TRP A 17 2.025 -5.729 -4.331 1.00 1.12 H new ATOM 0 HB3 TRP A 17 2.651 -4.310 -3.515 1.00 1.12 H new ATOM 0 HD1 TRP A 17 3.853 -6.986 -6.042 1.00 45.04 H new ATOM 0 HE1 TRP A 17 5.703 -5.996 -7.539 1.00 31.54 H new ATOM 0 HE3 TRP A 17 4.274 -2.379 -3.861 1.00 74.12 H new ATOM 0 HZ2 TRP A 17 7.187 -3.537 -7.712 1.00 31.13 H new ATOM 0 HZ3 TRP A 17 5.963 -0.759 -4.663 1.00 22.23 H new ATOM 0 HH2 TRP A 17 7.418 -1.326 -6.599 1.00 5.02 H new ATOM 289 N VAL A 18 4.965 -4.583 -1.645 1.00 21.54 N ATOM 290 CA VAL A 18 6.246 -4.048 -1.196 1.00 33.51 C ATOM 291 C VAL A 18 6.975 -5.093 -0.334 1.00 13.04 C ATOM 292 O VAL A 18 8.179 -5.270 -0.487 1.00 25.51 O ATOM 293 CB VAL A 18 6.033 -2.707 -0.465 1.00 25.51 C ATOM 294 CG1 VAL A 18 7.354 -2.149 0.054 1.00 33.11 C ATOM 295 CG2 VAL A 18 5.451 -1.597 -1.352 1.00 5.10 C ATOM 0 H VAL A 18 4.160 -4.024 -1.363 1.00 21.54 H new ATOM 0 HA VAL A 18 6.886 -3.840 -2.054 1.00 33.51 H new ATOM 0 HB VAL A 18 5.332 -2.953 0.333 1.00 25.51 H new ATOM 0 HG11 VAL A 18 7.174 -1.203 0.565 1.00 33.11 H new ATOM 0 HG12 VAL A 18 7.800 -2.859 0.751 1.00 33.11 H new ATOM 0 HG13 VAL A 18 8.034 -1.986 -0.782 1.00 33.11 H new ATOM 0 HG21 VAL A 18 5.331 -0.687 -0.764 1.00 5.10 H new ATOM 0 HG22 VAL A 18 6.127 -1.405 -2.185 1.00 5.10 H new ATOM 0 HG23 VAL A 18 4.481 -1.910 -1.737 1.00 5.10 H new ATOM 305 N ALA A 19 6.257 -5.814 0.532 1.00 70.34 N ATOM 306 CA ALA A 19 6.802 -6.892 1.342 1.00 25.23 C ATOM 307 C ALA A 19 7.411 -8.002 0.472 1.00 52.04 C ATOM 308 O ALA A 19 8.533 -8.440 0.737 1.00 52.44 O ATOM 309 CB ALA A 19 5.699 -7.423 2.262 1.00 53.32 C ATOM 0 H ALA A 19 5.261 -5.657 0.688 1.00 70.34 H new ATOM 0 HA ALA A 19 7.619 -6.508 1.953 1.00 25.23 H new ATOM 0 HB1 ALA A 19 6.095 -8.232 2.875 1.00 53.32 H new ATOM 0 HB2 ALA A 19 5.345 -6.619 2.907 1.00 53.32 H new ATOM 0 HB3 ALA A 19 4.871 -7.796 1.659 1.00 53.32 H new ATOM 315 N GLU A 20 6.724 -8.430 -0.591 1.00 24.22 N ATOM 316 CA GLU A 20 7.246 -9.437 -1.502 1.00 5.04 C ATOM 317 C GLU A 20 8.509 -8.919 -2.202 1.00 2.25 C ATOM 318 O GLU A 20 9.481 -9.660 -2.335 1.00 65.22 O ATOM 319 CB GLU A 20 6.126 -9.846 -2.467 1.00 11.44 C ATOM 320 CG GLU A 20 6.623 -10.794 -3.556 1.00 30.52 C ATOM 321 CD GLU A 20 5.470 -11.452 -4.317 1.00 5.12 C ATOM 322 OE1 GLU A 20 4.712 -10.741 -5.021 1.00 70.20 O ATOM 323 OE2 GLU A 20 5.301 -12.690 -4.208 1.00 73.12 O ATOM 0 H GLU A 20 5.796 -8.087 -0.838 1.00 24.22 H new ATOM 0 HA GLU A 20 7.558 -10.332 -0.964 1.00 5.04 H new ATOM 0 HB2 GLU A 20 5.324 -10.327 -1.907 1.00 11.44 H new ATOM 0 HB3 GLU A 20 5.703 -8.954 -2.929 1.00 11.44 H new ATOM 0 HG2 GLU A 20 7.251 -10.243 -4.256 1.00 30.52 H new ATOM 0 HG3 GLU A 20 7.247 -11.566 -3.107 1.00 30.52 H new ATOM 330 N VAL A 21 8.531 -7.639 -2.581 1.00 52.31 N ATOM 331 CA VAL A 21 9.709 -6.988 -3.145 1.00 4.13 C ATOM 332 C VAL A 21 10.851 -6.915 -2.121 1.00 3.43 C ATOM 333 O VAL A 21 12.009 -7.002 -2.532 1.00 21.54 O ATOM 334 CB VAL A 21 9.314 -5.600 -3.691 1.00 45.20 C ATOM 335 CG1 VAL A 21 10.512 -4.740 -4.115 1.00 51.32 C ATOM 336 CG2 VAL A 21 8.408 -5.745 -4.920 1.00 4.42 C ATOM 0 H VAL A 21 7.722 -7.022 -2.503 1.00 52.31 H new ATOM 0 HA VAL A 21 10.089 -7.583 -3.976 1.00 4.13 H new ATOM 0 HB VAL A 21 8.805 -5.105 -2.864 1.00 45.20 H new ATOM 0 HG11 VAL A 21 10.156 -3.779 -4.488 1.00 51.32 H new ATOM 0 HG12 VAL A 21 11.165 -4.577 -3.257 1.00 51.32 H new ATOM 0 HG13 VAL A 21 11.067 -5.252 -4.901 1.00 51.32 H new ATOM 0 HG21 VAL A 21 8.139 -4.757 -5.292 1.00 4.42 H new ATOM 0 HG22 VAL A 21 8.937 -6.295 -5.699 1.00 4.42 H new ATOM 0 HG23 VAL A 21 7.504 -6.287 -4.643 1.00 4.42 H new ATOM 346 N LEU A 22 10.573 -6.757 -0.820 1.00 72.23 N ATOM 347 CA LEU A 22 11.599 -6.805 0.223 1.00 10.44 C ATOM 348 C LEU A 22 12.190 -8.210 0.330 1.00 44.01 C ATOM 349 O LEU A 22 13.383 -8.337 0.607 1.00 21.25 O ATOM 350 CB LEU A 22 11.048 -6.383 1.601 1.00 34.31 C ATOM 351 CG LEU A 22 10.802 -4.876 1.784 1.00 13.04 C ATOM 352 CD1 LEU A 22 10.010 -4.622 3.071 1.00 21.23 C ATOM 353 CD2 LEU A 22 12.113 -4.089 1.869 1.00 44.34 C ATOM 0 H LEU A 22 9.631 -6.593 -0.464 1.00 72.23 H new ATOM 0 HA LEU A 22 12.375 -6.096 -0.067 1.00 10.44 H new ATOM 0 HB2 LEU A 22 10.110 -6.910 1.774 1.00 34.31 H new ATOM 0 HB3 LEU A 22 11.747 -6.715 2.369 1.00 34.31 H new ATOM 0 HG LEU A 22 10.241 -4.539 0.912 1.00 13.04 H new ATOM 0 HD11 LEU A 22 9.842 -3.552 3.190 1.00 21.23 H new ATOM 0 HD12 LEU A 22 9.050 -5.136 3.015 1.00 21.23 H new ATOM 0 HD13 LEU A 22 10.573 -4.998 3.925 1.00 21.23 H new ATOM 0 HD21 LEU A 22 11.893 -3.029 1.998 1.00 44.34 H new ATOM 0 HD22 LEU A 22 12.696 -4.445 2.718 1.00 44.34 H new ATOM 0 HD23 LEU A 22 12.683 -4.232 0.951 1.00 44.34 H new ATOM 365 N GLY A 23 11.397 -9.257 0.086 1.00 61.43 N ATOM 366 CA GLY A 23 11.764 -10.635 0.408 1.00 0.15 C ATOM 367 C GLY A 23 11.191 -11.062 1.762 1.00 60.33 C ATOM 368 O GLY A 23 11.608 -12.070 2.340 1.00 22.45 O ATOM 0 H GLY A 23 10.476 -9.169 -0.344 1.00 61.43 H new ATOM 0 HA2 GLY A 23 11.397 -11.303 -0.371 1.00 0.15 H new ATOM 0 HA3 GLY A 23 12.850 -10.730 0.424 1.00 0.15 H new ATOM 372 N LYS A 24 10.221 -10.316 2.300 1.00 41.11 N ATOM 373 CA LYS A 24 9.401 -10.796 3.405 1.00 14.22 C ATOM 374 C LYS A 24 8.570 -11.976 2.919 1.00 13.12 C ATOM 375 O LYS A 24 8.353 -12.146 1.712 1.00 12.24 O ATOM 376 CB LYS A 24 8.481 -9.671 3.889 1.00 72.14 C ATOM 377 CG LYS A 24 9.256 -8.565 4.613 1.00 54.13 C ATOM 378 CD LYS A 24 8.310 -7.507 5.201 1.00 74.00 C ATOM 379 CE LYS A 24 9.009 -6.833 6.385 1.00 21.15 C ATOM 380 NZ LYS A 24 8.167 -6.737 7.592 1.00 61.34 N ATOM 0 H LYS A 24 9.988 -9.375 1.983 1.00 41.11 H new ATOM 0 HA LYS A 24 10.036 -11.110 4.233 1.00 14.22 H new ATOM 0 HB2 LYS A 24 7.952 -9.244 3.037 1.00 72.14 H new ATOM 0 HB3 LYS A 24 7.727 -10.083 4.559 1.00 72.14 H new ATOM 0 HG2 LYS A 24 9.856 -9.002 5.411 1.00 54.13 H new ATOM 0 HG3 LYS A 24 9.948 -8.090 3.918 1.00 54.13 H new ATOM 0 HD2 LYS A 24 8.051 -6.767 4.443 1.00 74.00 H new ATOM 0 HD3 LYS A 24 7.378 -7.971 5.525 1.00 74.00 H new ATOM 0 HE2 LYS A 24 9.914 -7.390 6.627 1.00 21.15 H new ATOM 0 HE3 LYS A 24 9.321 -5.831 6.089 1.00 21.15 H new ATOM 0 HZ1 LYS A 24 8.006 -5.736 7.824 1.00 61.34 H new ATOM 0 HZ2 LYS A 24 7.254 -7.203 7.416 1.00 61.34 H new ATOM 0 HZ3 LYS A 24 8.646 -7.204 8.388 1.00 61.34 H new ATOM 394 N SER A 25 8.021 -12.738 3.850 1.00 31.44 N ATOM 395 CA SER A 25 7.052 -13.773 3.547 1.00 22.32 C ATOM 396 C SER A 25 6.134 -13.960 4.754 1.00 73.20 C ATOM 397 O SER A 25 6.354 -13.362 5.812 1.00 64.13 O ATOM 398 CB SER A 25 7.787 -15.055 3.120 1.00 32.42 C ATOM 399 OG SER A 25 9.010 -15.266 3.809 1.00 22.14 O ATOM 0 H SER A 25 8.238 -12.654 4.843 1.00 31.44 H new ATOM 0 HA SER A 25 6.417 -13.491 2.707 1.00 22.32 H new ATOM 0 HB2 SER A 25 7.133 -15.911 3.287 1.00 32.42 H new ATOM 0 HB3 SER A 25 7.986 -15.010 2.049 1.00 32.42 H new ATOM 0 HG SER A 25 9.425 -16.096 3.493 1.00 22.14 H new ATOM 405 N GLY A 26 5.091 -14.777 4.598 1.00 24.25 N ATOM 406 CA GLY A 26 4.202 -15.162 5.678 1.00 51.11 C ATOM 407 C GLY A 26 3.668 -13.951 6.428 1.00 13.12 C ATOM 408 O GLY A 26 3.098 -13.030 5.830 1.00 41.43 O ATOM 0 H GLY A 26 4.842 -15.193 3.700 1.00 24.25 H new ATOM 0 HA2 GLY A 26 3.368 -15.737 5.275 1.00 51.11 H new ATOM 0 HA3 GLY A 26 4.733 -15.814 6.371 1.00 51.11 H new ATOM 412 N ASP A 27 3.844 -13.963 7.748 1.00 43.51 N ATOM 413 CA ASP A 27 3.303 -12.953 8.646 1.00 20.43 C ATOM 414 C ASP A 27 4.125 -11.668 8.624 1.00 75.01 C ATOM 415 O ASP A 27 3.534 -10.620 8.878 1.00 11.23 O ATOM 416 CB ASP A 27 3.206 -13.474 10.087 1.00 35.43 C ATOM 417 CG ASP A 27 1.785 -13.944 10.393 1.00 40.11 C ATOM 418 OD1 ASP A 27 1.395 -15.038 9.921 1.00 54.33 O ATOM 419 OD2 ASP A 27 1.022 -13.187 11.036 1.00 73.10 O ATOM 0 H ASP A 27 4.376 -14.689 8.228 1.00 43.51 H new ATOM 0 HA ASP A 27 2.301 -12.727 8.282 1.00 20.43 H new ATOM 0 HB2 ASP A 27 3.906 -14.297 10.230 1.00 35.43 H new ATOM 0 HB3 ASP A 27 3.493 -12.687 10.784 1.00 35.43 H new ATOM 424 N GLU A 28 5.415 -11.687 8.246 1.00 40.33 N ATOM 425 CA GLU A 28 6.207 -10.473 8.106 1.00 40.13 C ATOM 426 C GLU A 28 5.538 -9.525 7.113 1.00 62.34 C ATOM 427 O GLU A 28 5.550 -8.305 7.303 1.00 31.32 O ATOM 428 CB GLU A 28 7.626 -10.805 7.598 1.00 2.42 C ATOM 429 CG GLU A 28 8.711 -10.676 8.669 1.00 1.54 C ATOM 430 CD GLU A 28 10.086 -10.296 8.097 1.00 43.51 C ATOM 431 OE1 GLU A 28 10.546 -10.904 7.101 1.00 54.40 O ATOM 432 OE2 GLU A 28 10.669 -9.310 8.615 1.00 32.24 O ATOM 0 H GLU A 28 5.927 -12.543 8.032 1.00 40.33 H new ATOM 0 HA GLU A 28 6.276 -9.999 9.085 1.00 40.13 H new ATOM 0 HB2 GLU A 28 7.633 -11.823 7.207 1.00 2.42 H new ATOM 0 HB3 GLU A 28 7.868 -10.143 6.767 1.00 2.42 H new ATOM 0 HG2 GLU A 28 8.407 -9.923 9.396 1.00 1.54 H new ATOM 0 HG3 GLU A 28 8.797 -11.621 9.206 1.00 1.54 H new ATOM 439 N ALA A 29 4.959 -10.103 6.056 1.00 0.21 N ATOM 440 CA ALA A 29 4.244 -9.382 5.021 1.00 44.22 C ATOM 441 C ALA A 29 2.936 -8.800 5.551 1.00 4.53 C ATOM 442 O ALA A 29 2.547 -7.702 5.166 1.00 61.13 O ATOM 443 CB ALA A 29 3.962 -10.340 3.858 1.00 74.22 C ATOM 0 H ALA A 29 4.980 -11.111 5.901 1.00 0.21 H new ATOM 0 HA ALA A 29 4.860 -8.549 4.681 1.00 44.22 H new ATOM 0 HB1 ALA A 29 3.424 -9.810 3.072 1.00 74.22 H new ATOM 0 HB2 ALA A 29 4.904 -10.718 3.461 1.00 74.22 H new ATOM 0 HB3 ALA A 29 3.357 -11.174 4.212 1.00 74.22 H new ATOM 449 N ASN A 30 2.238 -9.541 6.410 1.00 75.01 N ATOM 450 CA ASN A 30 0.948 -9.144 6.971 1.00 3.23 C ATOM 451 C ASN A 30 1.160 -8.013 7.966 1.00 62.00 C ATOM 452 O ASN A 30 0.383 -7.057 7.991 1.00 40.24 O ATOM 453 CB ASN A 30 0.223 -10.319 7.659 1.00 55.24 C ATOM 454 CG ASN A 30 -0.824 -10.972 6.763 1.00 73.11 C ATOM 455 OD1 ASN A 30 -1.644 -10.288 6.161 1.00 55.11 O ATOM 456 ND2 ASN A 30 -0.888 -12.289 6.688 1.00 43.30 N ATOM 0 H ASN A 30 2.559 -10.451 6.742 1.00 75.01 H new ATOM 0 HA ASN A 30 0.314 -8.811 6.149 1.00 3.23 H new ATOM 0 HB2 ASN A 30 0.957 -11.068 7.958 1.00 55.24 H new ATOM 0 HB3 ASN A 30 -0.257 -9.961 8.570 1.00 55.24 H new ATOM 0 HD21 ASN A 30 -1.618 -12.733 6.131 1.00 43.30 H new ATOM 0 HD22 ASN A 30 -0.208 -12.862 7.187 1.00 43.30 H new ATOM 463 N ALA A 31 2.222 -8.096 8.769 1.00 22.11 N ATOM 464 CA ALA A 31 2.617 -7.033 9.675 1.00 53.14 C ATOM 465 C ALA A 31 2.997 -5.776 8.891 1.00 73.31 C ATOM 466 O ALA A 31 2.558 -4.672 9.229 1.00 11.44 O ATOM 467 CB ALA A 31 3.771 -7.498 10.558 1.00 14.45 C ATOM 0 H ALA A 31 2.833 -8.912 8.804 1.00 22.11 H new ATOM 0 HA ALA A 31 1.773 -6.785 10.318 1.00 53.14 H new ATOM 0 HB1 ALA A 31 4.059 -6.693 11.234 1.00 14.45 H new ATOM 0 HB2 ALA A 31 3.458 -8.365 11.139 1.00 14.45 H new ATOM 0 HB3 ALA A 31 4.622 -7.769 9.932 1.00 14.45 H new ATOM 473 N TYR A 32 3.757 -5.943 7.806 1.00 13.44 N ATOM 474 CA TYR A 32 4.134 -4.828 6.945 1.00 73.01 C ATOM 475 C TYR A 32 2.897 -4.203 6.286 1.00 73.04 C ATOM 476 O TYR A 32 2.779 -2.982 6.146 1.00 23.24 O ATOM 477 CB TYR A 32 5.152 -5.308 5.911 1.00 74.01 C ATOM 478 CG TYR A 32 5.753 -4.174 5.112 1.00 62.34 C ATOM 479 CD1 TYR A 32 5.081 -3.689 3.978 1.00 3.43 C ATOM 480 CD2 TYR A 32 6.941 -3.551 5.540 1.00 43.51 C ATOM 481 CE1 TYR A 32 5.588 -2.582 3.279 1.00 31.20 C ATOM 482 CE2 TYR A 32 7.456 -2.445 4.841 1.00 22.23 C ATOM 483 CZ TYR A 32 6.772 -1.951 3.714 1.00 70.53 C ATOM 484 OH TYR A 32 7.228 -0.857 3.052 1.00 21.30 O ATOM 0 H TYR A 32 4.123 -6.846 7.505 1.00 13.44 H new ATOM 0 HA TYR A 32 4.598 -4.046 7.546 1.00 73.01 H new ATOM 0 HB2 TYR A 32 5.949 -5.852 6.418 1.00 74.01 H new ATOM 0 HB3 TYR A 32 4.669 -6.010 5.231 1.00 74.01 H new ATOM 0 HD1 TYR A 32 4.173 -4.168 3.643 1.00 3.43 H new ATOM 0 HD2 TYR A 32 7.460 -3.925 6.410 1.00 43.51 H new ATOM 0 HE1 TYR A 32 5.070 -2.213 2.406 1.00 31.20 H new ATOM 0 HE2 TYR A 32 8.373 -1.976 5.167 1.00 22.23 H new ATOM 0 HH TYR A 32 8.053 -0.539 3.475 1.00 21.30 H new ATOM 494 N ALA A 33 1.918 -5.032 5.924 1.00 54.22 N ATOM 495 CA ALA A 33 0.652 -4.591 5.367 1.00 60.21 C ATOM 496 C ALA A 33 -0.245 -3.880 6.397 1.00 41.52 C ATOM 497 O ALA A 33 -1.327 -3.409 6.035 1.00 21.30 O ATOM 498 CB ALA A 33 -0.058 -5.789 4.734 1.00 44.31 C ATOM 0 H ALA A 33 1.990 -6.046 6.014 1.00 54.22 H new ATOM 0 HA ALA A 33 0.861 -3.843 4.602 1.00 60.21 H new ATOM 0 HB1 ALA A 33 -1.010 -5.467 4.313 1.00 44.31 H new ATOM 0 HB2 ALA A 33 0.566 -6.206 3.943 1.00 44.31 H new ATOM 0 HB3 ALA A 33 -0.236 -6.550 5.494 1.00 44.31 H new ATOM 504 N ALA A 34 0.162 -3.774 7.667 1.00 1.51 N ATOM 505 CA ALA A 34 -0.404 -2.808 8.603 1.00 21.00 C ATOM 506 C ALA A 34 0.393 -1.503 8.563 1.00 24.03 C ATOM 507 O ALA A 34 -0.214 -0.438 8.578 1.00 25.03 O ATOM 508 CB ALA A 34 -0.436 -3.384 10.020 1.00 72.15 C ATOM 0 H ALA A 34 0.894 -4.358 8.071 1.00 1.51 H new ATOM 0 HA ALA A 34 -1.430 -2.594 8.304 1.00 21.00 H new ATOM 0 HB1 ALA A 34 -0.861 -2.648 10.702 1.00 72.15 H new ATOM 0 HB2 ALA A 34 -1.047 -4.286 10.032 1.00 72.15 H new ATOM 0 HB3 ALA A 34 0.578 -3.629 10.336 1.00 72.15 H new ATOM 514 N GLU A 35 1.725 -1.559 8.475 1.00 0.20 N ATOM 515 CA GLU A 35 2.583 -0.372 8.499 1.00 42.52 C ATOM 516 C GLU A 35 2.203 0.631 7.412 1.00 42.31 C ATOM 517 O GLU A 35 2.068 1.821 7.690 1.00 33.30 O ATOM 518 CB GLU A 35 4.061 -0.741 8.332 1.00 70.45 C ATOM 519 CG GLU A 35 4.631 -1.556 9.495 1.00 61.11 C ATOM 520 CD GLU A 35 6.156 -1.683 9.415 1.00 4.22 C ATOM 521 OE1 GLU A 35 6.822 -0.942 8.662 1.00 31.43 O ATOM 522 OE2 GLU A 35 6.719 -2.526 10.146 1.00 33.42 O ATOM 0 H GLU A 35 2.241 -2.434 8.385 1.00 0.20 H new ATOM 0 HA GLU A 35 2.432 0.088 9.476 1.00 42.52 H new ATOM 0 HB2 GLU A 35 4.182 -1.309 7.409 1.00 70.45 H new ATOM 0 HB3 GLU A 35 4.644 0.174 8.222 1.00 70.45 H new ATOM 0 HG2 GLU A 35 4.356 -1.083 10.438 1.00 61.11 H new ATOM 0 HG3 GLU A 35 4.184 -2.550 9.494 1.00 61.11 H new ATOM 529 N VAL A 36 2.007 0.178 6.169 1.00 41.35 N ATOM 530 CA VAL A 36 1.675 1.083 5.065 1.00 53.11 C ATOM 531 C VAL A 36 0.300 1.736 5.281 1.00 13.33 C ATOM 532 O VAL A 36 0.047 2.818 4.767 1.00 70.03 O ATOM 533 CB VAL A 36 1.790 0.341 3.713 1.00 43.13 C ATOM 534 CG1 VAL A 36 1.556 1.259 2.502 1.00 31.12 C ATOM 535 CG2 VAL A 36 3.196 -0.266 3.565 1.00 11.43 C ATOM 0 H VAL A 36 2.072 -0.805 5.904 1.00 41.35 H new ATOM 0 HA VAL A 36 2.396 1.900 5.041 1.00 53.11 H new ATOM 0 HB VAL A 36 1.017 -0.427 3.724 1.00 43.13 H new ATOM 0 HG11 VAL A 36 1.650 0.680 1.583 1.00 31.12 H new ATOM 0 HG12 VAL A 36 0.556 1.689 2.559 1.00 31.12 H new ATOM 0 HG13 VAL A 36 2.296 2.059 2.504 1.00 31.12 H new ATOM 0 HG21 VAL A 36 3.269 -0.787 2.610 1.00 11.43 H new ATOM 0 HG22 VAL A 36 3.941 0.529 3.603 1.00 11.43 H new ATOM 0 HG23 VAL A 36 3.376 -0.970 4.377 1.00 11.43 H new ATOM 545 N VAL A 37 -0.587 1.126 6.067 1.00 14.24 N ATOM 546 CA VAL A 37 -1.903 1.665 6.412 1.00 61.41 C ATOM 547 C VAL A 37 -1.801 2.703 7.546 1.00 51.51 C ATOM 548 O VAL A 37 -2.767 3.379 7.890 1.00 25.11 O ATOM 549 CB VAL A 37 -2.800 0.473 6.804 1.00 22.34 C ATOM 550 CG1 VAL A 37 -4.227 0.903 7.114 1.00 3.53 C ATOM 551 CG2 VAL A 37 -2.869 -0.602 5.708 1.00 23.21 C ATOM 0 H VAL A 37 -0.405 0.218 6.493 1.00 14.24 H new ATOM 0 HA VAL A 37 -2.336 2.192 5.562 1.00 61.41 H new ATOM 0 HB VAL A 37 -2.332 0.057 7.696 1.00 22.34 H new ATOM 0 HG11 VAL A 37 -4.820 0.029 7.385 1.00 3.53 H new ATOM 0 HG12 VAL A 37 -4.222 1.609 7.944 1.00 3.53 H new ATOM 0 HG13 VAL A 37 -4.663 1.379 6.235 1.00 3.53 H new ATOM 0 HG21 VAL A 37 -3.514 -1.417 6.038 1.00 23.21 H new ATOM 0 HG22 VAL A 37 -3.274 -0.165 4.795 1.00 23.21 H new ATOM 0 HG23 VAL A 37 -1.868 -0.987 5.513 1.00 23.21 H new ATOM 704 N ASP A 48 3.831 11.434 2.846 1.00 11.52 N ATOM 705 CA ASP A 48 4.559 10.746 3.913 1.00 44.32 C ATOM 706 C ASP A 48 4.476 9.208 3.819 1.00 45.51 C ATOM 707 O ASP A 48 5.364 8.513 4.322 1.00 33.23 O ATOM 708 CB ASP A 48 4.067 11.272 5.268 1.00 5.43 C ATOM 709 CG ASP A 48 5.169 11.189 6.321 1.00 64.45 C ATOM 710 OD1 ASP A 48 6.002 12.130 6.379 1.00 23.34 O ATOM 711 OD2 ASP A 48 5.220 10.167 7.033 1.00 21.21 O ATOM 0 HA ASP A 48 5.620 10.970 3.800 1.00 44.32 H new ATOM 0 HB2 ASP A 48 3.737 12.306 5.163 1.00 5.43 H new ATOM 0 HB3 ASP A 48 3.203 10.693 5.595 1.00 5.43 H new ATOM 716 N VAL A 49 3.483 8.681 3.087 1.00 10.42 N ATOM 717 CA VAL A 49 3.396 7.268 2.712 1.00 50.53 C ATOM 718 C VAL A 49 4.581 6.904 1.823 1.00 72.45 C ATOM 719 O VAL A 49 5.244 5.895 2.064 1.00 63.24 O ATOM 720 CB VAL A 49 2.073 6.968 1.962 1.00 31.23 C ATOM 721 CG1 VAL A 49 1.966 5.511 1.477 1.00 44.21 C ATOM 722 CG2 VAL A 49 0.845 7.253 2.826 1.00 33.31 C ATOM 0 H VAL A 49 2.705 9.238 2.734 1.00 10.42 H new ATOM 0 HA VAL A 49 3.415 6.669 3.623 1.00 50.53 H new ATOM 0 HB VAL A 49 2.096 7.634 1.099 1.00 31.23 H new ATOM 0 HG11 VAL A 49 1.017 5.368 0.960 1.00 44.21 H new ATOM 0 HG12 VAL A 49 2.787 5.294 0.794 1.00 44.21 H new ATOM 0 HG13 VAL A 49 2.018 4.838 2.333 1.00 44.21 H new ATOM 0 HG21 VAL A 49 -0.059 7.028 2.259 1.00 33.31 H new ATOM 0 HG22 VAL A 49 0.877 6.630 3.720 1.00 33.31 H new ATOM 0 HG23 VAL A 49 0.840 8.304 3.116 1.00 33.31 H new ATOM 732 N MET A 50 4.820 7.670 0.754 1.00 21.40 N ATOM 733 CA MET A 50 5.741 7.263 -0.292 1.00 12.23 C ATOM 734 C MET A 50 7.144 7.197 0.281 1.00 41.42 C ATOM 735 O MET A 50 7.778 6.152 0.210 1.00 65.21 O ATOM 736 CB MET A 50 5.649 8.169 -1.523 1.00 12.40 C ATOM 737 CG MET A 50 4.214 8.329 -2.044 1.00 41.22 C ATOM 738 SD MET A 50 3.127 6.868 -2.071 1.00 65.14 S ATOM 739 CE MET A 50 4.075 5.741 -3.114 1.00 14.33 C ATOM 0 H MET A 50 4.382 8.578 0.597 1.00 21.40 H new ATOM 0 HA MET A 50 5.465 6.269 -0.645 1.00 12.23 H new ATOM 0 HB2 MET A 50 6.051 9.151 -1.275 1.00 12.40 H new ATOM 0 HB3 MET A 50 6.274 7.759 -2.316 1.00 12.40 H new ATOM 0 HG2 MET A 50 3.726 9.093 -1.439 1.00 41.22 H new ATOM 0 HG3 MET A 50 4.273 8.717 -3.061 1.00 41.22 H new ATOM 0 HE1 MET A 50 3.394 5.167 -3.743 1.00 14.33 H new ATOM 0 HE2 MET A 50 4.755 6.314 -3.744 1.00 14.33 H new ATOM 0 HE3 MET A 50 4.649 5.060 -2.486 1.00 14.33 H new ATOM 749 N ARG A 51 7.608 8.255 0.942 1.00 25.24 N ATOM 750 CA ARG A 51 8.867 8.243 1.657 1.00 11.41 C ATOM 751 C ARG A 51 8.996 7.082 2.648 1.00 62.34 C ATOM 752 O ARG A 51 10.103 6.556 2.774 1.00 14.42 O ATOM 753 CB ARG A 51 9.089 9.607 2.313 1.00 24.50 C ATOM 754 CG ARG A 51 7.899 10.249 3.014 1.00 1.32 C ATOM 755 CD ARG A 51 8.217 10.670 4.452 1.00 30.03 C ATOM 756 NE ARG A 51 7.841 9.649 5.444 1.00 13.30 N ATOM 757 CZ ARG A 51 8.181 9.676 6.743 1.00 11.41 C ATOM 758 NH1 ARG A 51 9.045 10.574 7.214 1.00 51.42 N ATOM 759 NH2 ARG A 51 7.641 8.803 7.583 1.00 13.11 N ATOM 0 H ARG A 51 7.113 9.146 0.993 1.00 25.24 H new ATOM 0 HA ARG A 51 9.663 8.066 0.934 1.00 11.41 H new ATOM 0 HB2 ARG A 51 9.893 9.504 3.041 1.00 24.50 H new ATOM 0 HB3 ARG A 51 9.440 10.297 1.546 1.00 24.50 H new ATOM 0 HG2 ARG A 51 7.576 11.122 2.447 1.00 1.32 H new ATOM 0 HG3 ARG A 51 7.065 9.547 3.021 1.00 1.32 H new ATOM 0 HD2 ARG A 51 9.284 10.877 4.537 1.00 30.03 H new ATOM 0 HD3 ARG A 51 7.693 11.599 4.678 1.00 30.03 H new ATOM 0 HE ARG A 51 7.280 8.861 5.120 1.00 13.30 H new ATOM 0 HH11 ARG A 51 9.462 11.259 6.584 1.00 51.42 H new ATOM 0 HH12 ARG A 51 9.289 10.576 8.204 1.00 51.42 H new ATOM 0 HH21 ARG A 51 6.970 8.115 7.242 1.00 13.11 H new ATOM 0 HH22 ARG A 51 7.897 8.820 8.570 1.00 13.11 H new ATOM 773 N LYS A 52 7.918 6.653 3.319 1.00 64.25 N ATOM 774 CA LYS A 52 7.951 5.482 4.194 1.00 45.31 C ATOM 775 C LYS A 52 8.298 4.239 3.375 1.00 32.23 C ATOM 776 O LYS A 52 9.276 3.566 3.691 1.00 65.53 O ATOM 777 CB LYS A 52 6.643 5.375 5.009 1.00 42.43 C ATOM 778 CG LYS A 52 6.577 4.214 6.018 1.00 24.02 C ATOM 779 CD LYS A 52 6.152 2.869 5.399 1.00 3.13 C ATOM 780 CE LYS A 52 5.767 1.832 6.461 1.00 34.23 C ATOM 781 NZ LYS A 52 6.899 1.441 7.323 1.00 30.33 N ATOM 0 H LYS A 52 7.006 7.107 3.269 1.00 64.25 H new ATOM 0 HA LYS A 52 8.740 5.582 4.939 1.00 45.31 H new ATOM 0 HB2 LYS A 52 6.496 6.310 5.549 1.00 42.43 H new ATOM 0 HB3 LYS A 52 5.810 5.275 4.313 1.00 42.43 H new ATOM 0 HG2 LYS A 52 7.555 4.095 6.484 1.00 24.02 H new ATOM 0 HG3 LYS A 52 5.876 4.475 6.811 1.00 24.02 H new ATOM 0 HD2 LYS A 52 5.307 3.031 4.730 1.00 3.13 H new ATOM 0 HD3 LYS A 52 6.968 2.477 4.792 1.00 3.13 H new ATOM 0 HE2 LYS A 52 4.967 2.236 7.082 1.00 34.23 H new ATOM 0 HE3 LYS A 52 5.370 0.945 5.967 1.00 34.23 H new ATOM 0 HZ1 LYS A 52 6.713 0.505 7.737 1.00 30.33 H new ATOM 0 HZ2 LYS A 52 7.770 1.402 6.756 1.00 30.33 H new ATOM 0 HZ3 LYS A 52 7.013 2.140 8.084 1.00 30.33 H new ATOM 795 N VAL A 53 7.526 3.894 2.340 1.00 54.01 N ATOM 796 CA VAL A 53 7.761 2.660 1.591 1.00 21.33 C ATOM 797 C VAL A 53 9.081 2.717 0.827 1.00 72.54 C ATOM 798 O VAL A 53 9.728 1.679 0.655 1.00 14.03 O ATOM 799 CB VAL A 53 6.590 2.332 0.646 1.00 3.21 C ATOM 800 CG1 VAL A 53 5.372 1.866 1.441 1.00 11.01 C ATOM 801 CG2 VAL A 53 6.209 3.476 -0.303 1.00 1.40 C ATOM 0 H VAL A 53 6.739 4.449 2.005 1.00 54.01 H new ATOM 0 HA VAL A 53 7.829 1.852 2.319 1.00 21.33 H new ATOM 0 HB VAL A 53 6.944 1.523 0.007 1.00 3.21 H new ATOM 0 HG11 VAL A 53 4.555 1.639 0.756 1.00 11.01 H new ATOM 0 HG12 VAL A 53 5.628 0.972 2.009 1.00 11.01 H new ATOM 0 HG13 VAL A 53 5.062 2.654 2.127 1.00 11.01 H new ATOM 0 HG21 VAL A 53 5.377 3.164 -0.934 1.00 1.40 H new ATOM 0 HG22 VAL A 53 5.915 4.349 0.279 1.00 1.40 H new ATOM 0 HG23 VAL A 53 7.064 3.729 -0.930 1.00 1.40 H new ATOM 811 N LEU A 54 9.472 3.893 0.333 1.00 1.14 N ATOM 812 CA LEU A 54 10.660 4.059 -0.486 1.00 21.53 C ATOM 813 C LEU A 54 11.903 3.900 0.386 1.00 1.40 C ATOM 814 O LEU A 54 12.801 3.143 0.026 1.00 65.45 O ATOM 815 CB LEU A 54 10.664 5.415 -1.214 1.00 52.11 C ATOM 816 CG LEU A 54 10.110 5.437 -2.654 1.00 5.03 C ATOM 817 CD1 LEU A 54 10.862 4.480 -3.590 1.00 33.42 C ATOM 818 CD2 LEU A 54 8.611 5.203 -2.775 1.00 71.31 C ATOM 0 H LEU A 54 8.963 4.762 0.496 1.00 1.14 H new ATOM 0 HA LEU A 54 10.661 3.288 -1.256 1.00 21.53 H new ATOM 0 HB2 LEU A 54 10.087 6.122 -0.618 1.00 52.11 H new ATOM 0 HB3 LEU A 54 11.690 5.783 -1.240 1.00 52.11 H new ATOM 0 HG LEU A 54 10.287 6.465 -2.971 1.00 5.03 H new ATOM 0 HD11 LEU A 54 10.431 4.536 -4.590 1.00 33.42 H new ATOM 0 HD12 LEU A 54 11.914 4.763 -3.632 1.00 33.42 H new ATOM 0 HD13 LEU A 54 10.776 3.461 -3.214 1.00 33.42 H new ATOM 0 HD21 LEU A 54 8.321 5.238 -3.825 1.00 71.31 H new ATOM 0 HD22 LEU A 54 8.361 4.226 -2.361 1.00 71.31 H new ATOM 0 HD23 LEU A 54 8.076 5.978 -2.225 1.00 71.31 H new ATOM 830 N GLY A 55 11.941 4.574 1.541 1.00 74.11 N ATOM 831 CA GLY A 55 13.022 4.436 2.507 1.00 12.42 C ATOM 832 C GLY A 55 13.096 3.009 3.031 1.00 24.32 C ATOM 833 O GLY A 55 14.185 2.442 3.124 1.00 45.22 O ATOM 0 H GLY A 55 11.216 5.232 1.828 1.00 74.11 H new ATOM 0 HA2 GLY A 55 13.969 4.707 2.041 1.00 12.42 H new ATOM 0 HA3 GLY A 55 12.865 5.126 3.336 1.00 12.42 H new ATOM 837 N ASP A 56 11.944 2.386 3.304 1.00 64.34 N ATOM 838 CA ASP A 56 11.911 0.998 3.747 1.00 73.23 C ATOM 839 C ASP A 56 12.468 0.082 2.649 1.00 52.34 C ATOM 840 O ASP A 56 13.204 -0.849 2.966 1.00 31.44 O ATOM 841 CB ASP A 56 10.491 0.569 4.156 1.00 1.13 C ATOM 842 CG ASP A 56 10.069 0.950 5.574 1.00 31.13 C ATOM 843 OD1 ASP A 56 10.731 1.774 6.248 1.00 71.45 O ATOM 844 OD2 ASP A 56 9.065 0.394 6.067 1.00 24.30 O ATOM 0 H ASP A 56 11.027 2.825 3.224 1.00 64.34 H new ATOM 0 HA ASP A 56 12.542 0.908 4.632 1.00 73.23 H new ATOM 0 HB2 ASP A 56 9.782 1.009 3.455 1.00 1.13 H new ATOM 0 HB3 ASP A 56 10.413 -0.513 4.051 1.00 1.13 H new ATOM 849 N LEU A 57 12.158 0.330 1.362 1.00 31.23 N ATOM 850 CA LEU A 57 12.685 -0.467 0.250 1.00 73.24 C ATOM 851 C LEU A 57 14.182 -0.276 0.050 1.00 1.43 C ATOM 852 O LEU A 57 14.796 -1.141 -0.564 1.00 12.12 O ATOM 853 CB LEU A 57 12.000 -0.150 -1.094 1.00 43.04 C ATOM 854 CG LEU A 57 10.715 -0.924 -1.434 1.00 44.42 C ATOM 855 CD1 LEU A 57 10.418 -0.676 -2.918 1.00 21.13 C ATOM 856 CD2 LEU A 57 10.821 -2.438 -1.241 1.00 71.54 C ATOM 0 H LEU A 57 11.538 1.086 1.070 1.00 31.23 H new ATOM 0 HA LEU A 57 12.474 -1.497 0.538 1.00 73.24 H new ATOM 0 HB2 LEU A 57 11.766 0.914 -1.110 1.00 43.04 H new ATOM 0 HB3 LEU A 57 12.722 -0.330 -1.891 1.00 43.04 H new ATOM 0 HG LEU A 57 9.938 -0.569 -0.756 1.00 44.42 H new ATOM 0 HD11 LEU A 57 9.511 -1.209 -3.202 1.00 21.13 H new ATOM 0 HD12 LEU A 57 10.279 0.392 -3.088 1.00 21.13 H new ATOM 0 HD13 LEU A 57 11.253 -1.034 -3.521 1.00 21.13 H new ATOM 0 HD21 LEU A 57 9.872 -2.906 -1.503 1.00 71.54 H new ATOM 0 HD22 LEU A 57 11.609 -2.832 -1.883 1.00 71.54 H new ATOM 0 HD23 LEU A 57 11.058 -2.656 -0.200 1.00 71.54 H new ATOM 868 N ASP A 58 14.779 0.817 0.527 1.00 33.30 N ATOM 869 CA ASP A 58 16.235 0.987 0.575 1.00 4.20 C ATOM 870 C ASP A 58 16.880 1.029 -0.818 1.00 62.23 C ATOM 871 O ASP A 58 18.071 0.759 -0.973 1.00 21.50 O ATOM 872 CB ASP A 58 16.820 -0.134 1.440 1.00 64.15 C ATOM 873 CG ASP A 58 18.169 0.150 2.085 1.00 13.23 C ATOM 874 OD1 ASP A 58 18.321 1.179 2.772 1.00 44.04 O ATOM 875 OD2 ASP A 58 18.965 -0.835 2.129 1.00 11.34 O ATOM 0 H ASP A 58 14.263 1.617 0.894 1.00 33.30 H new ATOM 0 HA ASP A 58 16.461 1.957 1.019 1.00 4.20 H new ATOM 0 HB2 ASP A 58 16.105 -0.367 2.229 1.00 64.15 H new ATOM 0 HB3 ASP A 58 16.916 -1.028 0.824 1.00 64.15 H new ATOM 880 N GLY A 59 16.085 1.337 -1.848 1.00 73.24 N ATOM 881 CA GLY A 59 16.514 1.361 -3.239 1.00 10.14 C ATOM 882 C GLY A 59 16.237 0.053 -3.979 1.00 3.00 C ATOM 883 O GLY A 59 16.746 -0.108 -5.092 1.00 71.51 O ATOM 0 H GLY A 59 15.102 1.582 -1.728 1.00 73.24 H new ATOM 0 HA2 GLY A 59 16.007 2.177 -3.754 1.00 10.14 H new ATOM 0 HA3 GLY A 59 17.582 1.574 -3.279 1.00 10.14 H new ATOM 887 N LYS A 60 15.479 -0.894 -3.406 1.00 30.51 N ATOM 888 CA LYS A 60 15.220 -2.192 -4.019 1.00 10.43 C ATOM 889 C LYS A 60 14.417 -2.101 -5.319 1.00 3.35 C ATOM 890 O LYS A 60 14.511 -3.028 -6.127 1.00 65.14 O ATOM 891 CB LYS A 60 14.521 -3.112 -3.021 1.00 50.14 C ATOM 892 CG LYS A 60 15.485 -4.022 -2.238 1.00 72.52 C ATOM 893 CD LYS A 60 14.754 -5.132 -1.467 1.00 33.53 C ATOM 894 CE LYS A 60 15.628 -6.376 -1.227 1.00 63.52 C ATOM 895 NZ LYS A 60 15.887 -7.161 -2.456 1.00 32.41 N ATOM 0 H LYS A 60 15.029 -0.773 -2.499 1.00 30.51 H new ATOM 0 HA LYS A 60 16.190 -2.610 -4.290 1.00 10.43 H new ATOM 0 HB2 LYS A 60 13.955 -2.504 -2.315 1.00 50.14 H new ATOM 0 HB3 LYS A 60 13.802 -3.733 -3.555 1.00 50.14 H new ATOM 0 HG2 LYS A 60 16.196 -4.473 -2.930 1.00 72.52 H new ATOM 0 HG3 LYS A 60 16.062 -3.417 -1.538 1.00 72.52 H new ATOM 0 HD2 LYS A 60 14.419 -4.740 -0.507 1.00 33.53 H new ATOM 0 HD3 LYS A 60 13.861 -5.424 -2.021 1.00 33.53 H new ATOM 0 HE2 LYS A 60 16.580 -6.064 -0.797 1.00 63.52 H new ATOM 0 HE3 LYS A 60 15.141 -7.017 -0.492 1.00 63.52 H new ATOM 0 HZ1 LYS A 60 16.363 -8.051 -2.206 1.00 32.41 H new ATOM 0 HZ2 LYS A 60 14.985 -7.372 -2.930 1.00 32.41 H new ATOM 0 HZ3 LYS A 60 16.495 -6.612 -3.097 1.00 32.41 H new ATOM 909 N ARG A 61 13.590 -1.067 -5.517 1.00 5.40 N ATOM 910 CA ARG A 61 12.898 -0.844 -6.790 1.00 12.04 C ATOM 911 C ARG A 61 12.902 0.635 -7.146 1.00 71.23 C ATOM 912 O ARG A 61 12.884 1.468 -6.236 1.00 21.10 O ATOM 913 CB ARG A 61 11.447 -1.367 -6.761 1.00 62.14 C ATOM 914 CG ARG A 61 11.334 -2.890 -6.856 1.00 65.20 C ATOM 915 CD ARG A 61 11.834 -3.452 -8.190 1.00 34.21 C ATOM 916 NE ARG A 61 11.806 -4.921 -8.169 1.00 45.34 N ATOM 917 CZ ARG A 61 11.411 -5.729 -9.155 1.00 11.01 C ATOM 918 NH1 ARG A 61 10.916 -5.238 -10.285 1.00 30.55 N ATOM 919 NH2 ARG A 61 11.519 -7.042 -9.000 1.00 2.24 N ATOM 0 H ARG A 61 13.384 -0.367 -4.805 1.00 5.40 H new ATOM 0 HA ARG A 61 13.441 -1.405 -7.551 1.00 12.04 H new ATOM 0 HB2 ARG A 61 10.970 -1.034 -5.839 1.00 62.14 H new ATOM 0 HB3 ARG A 61 10.893 -0.919 -7.586 1.00 62.14 H new ATOM 0 HG2 ARG A 61 11.903 -3.341 -6.043 1.00 65.20 H new ATOM 0 HG3 ARG A 61 10.293 -3.180 -6.715 1.00 65.20 H new ATOM 0 HD2 ARG A 61 11.211 -3.082 -9.004 1.00 34.21 H new ATOM 0 HD3 ARG A 61 12.849 -3.104 -8.381 1.00 34.21 H new ATOM 0 HE ARG A 61 12.122 -5.371 -7.310 1.00 45.34 H new ATOM 0 HH11 ARG A 61 10.833 -4.229 -10.409 1.00 30.55 H new ATOM 0 HH12 ARG A 61 10.619 -5.870 -11.029 1.00 30.55 H new ATOM 0 HH21 ARG A 61 11.900 -7.424 -8.134 1.00 2.24 H new ATOM 0 HH22 ARG A 61 11.221 -7.670 -9.746 1.00 2.24 H new ATOM 933 N PRO A 62 12.812 0.968 -8.443 1.00 70.35 N ATOM 934 CA PRO A 62 12.670 2.341 -8.879 1.00 63.13 C ATOM 935 C PRO A 62 11.345 2.899 -8.389 1.00 51.22 C ATOM 936 O PRO A 62 10.326 2.201 -8.376 1.00 30.11 O ATOM 937 CB PRO A 62 12.709 2.315 -10.405 1.00 11.43 C ATOM 938 CG PRO A 62 12.368 0.879 -10.776 1.00 61.32 C ATOM 939 CD PRO A 62 12.817 0.060 -9.580 1.00 74.24 C ATOM 0 HA PRO A 62 13.463 2.974 -8.481 1.00 63.13 H new ATOM 0 HB2 PRO A 62 11.991 3.015 -10.831 1.00 11.43 H new ATOM 0 HB3 PRO A 62 13.692 2.598 -10.781 1.00 11.43 H new ATOM 0 HG2 PRO A 62 11.300 0.760 -10.960 1.00 61.32 H new ATOM 0 HG3 PRO A 62 12.885 0.571 -11.685 1.00 61.32 H new ATOM 0 HD2 PRO A 62 12.145 -0.781 -9.410 1.00 74.24 H new ATOM 0 HD3 PRO A 62 13.812 -0.355 -9.743 1.00 74.24 H new ATOM 947 N GLU A 63 11.336 4.189 -8.069 1.00 45.22 N ATOM 948 CA GLU A 63 10.139 4.892 -7.653 1.00 42.04 C ATOM 949 C GLU A 63 9.051 4.767 -8.722 1.00 43.44 C ATOM 950 O GLU A 63 7.894 4.560 -8.369 1.00 12.31 O ATOM 951 CB GLU A 63 10.466 6.357 -7.333 1.00 30.20 C ATOM 952 CG GLU A 63 9.207 7.071 -6.820 1.00 62.25 C ATOM 953 CD GLU A 63 9.447 8.524 -6.422 1.00 61.43 C ATOM 954 OE1 GLU A 63 10.146 9.242 -7.175 1.00 74.54 O ATOM 955 OE2 GLU A 63 8.782 8.970 -5.452 1.00 24.30 O ATOM 0 H GLU A 63 12.170 4.776 -8.093 1.00 45.22 H new ATOM 0 HA GLU A 63 9.754 4.437 -6.741 1.00 42.04 H new ATOM 0 HB2 GLU A 63 11.255 6.408 -6.583 1.00 30.20 H new ATOM 0 HB3 GLU A 63 10.842 6.859 -8.225 1.00 30.20 H new ATOM 0 HG2 GLU A 63 8.440 7.037 -7.594 1.00 62.25 H new ATOM 0 HG3 GLU A 63 8.816 6.527 -5.960 1.00 62.25 H new ATOM 962 N ALA A 64 9.405 4.842 -10.012 1.00 54.22 N ATOM 963 CA ALA A 64 8.434 4.762 -11.097 1.00 1.04 C ATOM 964 C ALA A 64 7.617 3.465 -11.054 1.00 53.15 C ATOM 965 O ALA A 64 6.408 3.515 -11.297 1.00 25.51 O ATOM 966 CB ALA A 64 9.129 4.929 -12.449 1.00 2.02 C ATOM 0 H ALA A 64 10.369 4.959 -10.325 1.00 54.22 H new ATOM 0 HA ALA A 64 7.728 5.581 -10.962 1.00 1.04 H new ATOM 0 HB1 ALA A 64 8.390 4.867 -13.248 1.00 2.02 H new ATOM 0 HB2 ALA A 64 9.623 5.900 -12.487 1.00 2.02 H new ATOM 0 HB3 ALA A 64 9.870 4.140 -12.577 1.00 2.02 H new ATOM 972 N GLU A 65 8.236 2.324 -10.732 1.00 64.13 N ATOM 973 CA GLU A 65 7.514 1.078 -10.518 1.00 13.10 C ATOM 974 C GLU A 65 6.615 1.212 -9.283 1.00 54.35 C ATOM 975 O GLU A 65 5.410 0.968 -9.346 1.00 3.13 O ATOM 976 CB GLU A 65 8.537 -0.073 -10.405 1.00 43.14 C ATOM 977 CG GLU A 65 7.867 -1.443 -10.462 1.00 63.14 C ATOM 978 CD GLU A 65 8.832 -2.643 -10.431 1.00 5.14 C ATOM 979 OE1 GLU A 65 9.778 -2.740 -11.259 1.00 74.43 O ATOM 980 OE2 GLU A 65 8.613 -3.567 -9.629 1.00 43.03 O ATOM 0 H GLU A 65 9.246 2.244 -10.614 1.00 64.13 H new ATOM 0 HA GLU A 65 6.857 0.851 -11.358 1.00 13.10 H new ATOM 0 HB2 GLU A 65 9.264 0.008 -11.213 1.00 43.14 H new ATOM 0 HB3 GLU A 65 9.088 0.022 -9.469 1.00 43.14 H new ATOM 0 HG2 GLU A 65 7.178 -1.529 -9.622 1.00 63.14 H new ATOM 0 HG3 GLU A 65 7.269 -1.501 -11.372 1.00 63.14 H new ATOM 987 N VAL A 66 7.196 1.645 -8.166 1.00 33.20 N ATOM 988 CA VAL A 66 6.555 1.716 -6.859 1.00 53.13 C ATOM 989 C VAL A 66 5.294 2.593 -6.873 1.00 11.43 C ATOM 990 O VAL A 66 4.215 2.127 -6.489 1.00 11.30 O ATOM 991 CB VAL A 66 7.601 2.189 -5.833 1.00 50.33 C ATOM 992 CG1 VAL A 66 6.982 2.407 -4.454 1.00 11.30 C ATOM 993 CG2 VAL A 66 8.766 1.193 -5.684 1.00 11.40 C ATOM 0 H VAL A 66 8.163 1.968 -8.148 1.00 33.20 H new ATOM 0 HA VAL A 66 6.199 0.726 -6.573 1.00 53.13 H new ATOM 0 HB VAL A 66 7.983 3.133 -6.221 1.00 50.33 H new ATOM 0 HG11 VAL A 66 7.752 2.740 -3.758 1.00 11.30 H new ATOM 0 HG12 VAL A 66 6.201 3.165 -4.521 1.00 11.30 H new ATOM 0 HG13 VAL A 66 6.550 1.472 -4.097 1.00 11.30 H new ATOM 0 HG21 VAL A 66 9.477 1.572 -4.949 1.00 11.40 H new ATOM 0 HG22 VAL A 66 8.380 0.229 -5.352 1.00 11.40 H new ATOM 0 HG23 VAL A 66 9.267 1.072 -6.645 1.00 11.40 H new ATOM 1003 N ARG A 67 5.396 3.869 -7.269 1.00 25.52 N ATOM 1004 CA ARG A 67 4.245 4.769 -7.211 1.00 22.53 C ATOM 1005 C ARG A 67 3.164 4.326 -8.190 1.00 73.31 C ATOM 1006 O ARG A 67 1.987 4.409 -7.843 1.00 21.23 O ATOM 1007 CB ARG A 67 4.630 6.256 -7.354 1.00 50.25 C ATOM 1008 CG ARG A 67 5.252 6.667 -8.698 1.00 43.31 C ATOM 1009 CD ARG A 67 5.351 8.183 -8.903 1.00 14.40 C ATOM 1010 NE ARG A 67 6.184 8.897 -7.915 1.00 10.10 N ATOM 1011 CZ ARG A 67 6.866 10.032 -8.149 1.00 14.33 C ATOM 1012 NH1 ARG A 67 6.959 10.550 -9.370 1.00 33.22 N ATOM 1013 NH2 ARG A 67 7.471 10.678 -7.164 1.00 1.23 N ATOM 0 H ARG A 67 6.252 4.293 -7.627 1.00 25.52 H new ATOM 0 HA ARG A 67 3.822 4.694 -6.209 1.00 22.53 H new ATOM 0 HB2 ARG A 67 3.737 6.859 -7.191 1.00 50.25 H new ATOM 0 HB3 ARG A 67 5.333 6.506 -6.560 1.00 50.25 H new ATOM 0 HG2 ARG A 67 6.250 6.235 -8.772 1.00 43.31 H new ATOM 0 HG3 ARG A 67 4.659 6.240 -9.507 1.00 43.31 H new ATOM 0 HD2 ARG A 67 5.752 8.374 -9.898 1.00 14.40 H new ATOM 0 HD3 ARG A 67 4.346 8.603 -8.879 1.00 14.40 H new ATOM 0 HE ARG A 67 6.247 8.497 -6.979 1.00 10.10 H new ATOM 0 HH11 ARG A 67 6.507 10.085 -10.157 1.00 33.22 H new ATOM 0 HH12 ARG A 67 7.483 11.412 -9.520 1.00 33.22 H new ATOM 0 HH21 ARG A 67 7.424 10.316 -6.212 1.00 1.23 H new ATOM 0 HH22 ARG A 67 7.984 11.538 -7.358 1.00 1.23 H new ATOM 1027 N ALA A 68 3.534 3.794 -9.361 1.00 70.24 N ATOM 1028 CA ALA A 68 2.555 3.268 -10.300 1.00 3.01 C ATOM 1029 C ALA A 68 1.787 2.109 -9.673 1.00 34.44 C ATOM 1030 O ALA A 68 0.565 2.043 -9.820 1.00 5.34 O ATOM 1031 CB ALA A 68 3.253 2.793 -11.567 1.00 33.13 C ATOM 0 H ALA A 68 4.502 3.720 -9.674 1.00 70.24 H new ATOM 0 HA ALA A 68 1.853 4.063 -10.551 1.00 3.01 H new ATOM 0 HB1 ALA A 68 2.513 2.401 -12.265 1.00 33.13 H new ATOM 0 HB2 ALA A 68 3.779 3.629 -12.028 1.00 33.13 H new ATOM 0 HB3 ALA A 68 3.967 2.009 -11.317 1.00 33.13 H new ATOM 1037 N LYS A 69 2.485 1.216 -8.957 1.00 2.24 N ATOM 1038 CA LYS A 69 1.861 0.104 -8.256 1.00 24.34 C ATOM 1039 C LYS A 69 0.749 0.627 -7.351 1.00 51.02 C ATOM 1040 O LYS A 69 -0.380 0.144 -7.443 1.00 33.53 O ATOM 1041 CB LYS A 69 2.903 -0.698 -7.456 1.00 11.20 C ATOM 1042 CG LYS A 69 2.386 -2.115 -7.183 1.00 71.25 C ATOM 1043 CD LYS A 69 2.792 -3.069 -8.315 1.00 21.40 C ATOM 1044 CE LYS A 69 2.155 -4.443 -8.103 1.00 5.40 C ATOM 1045 NZ LYS A 69 0.780 -4.493 -8.637 1.00 25.54 N ATOM 0 H LYS A 69 3.499 1.252 -8.853 1.00 2.24 H new ATOM 0 HA LYS A 69 1.424 -0.575 -8.988 1.00 24.34 H new ATOM 0 HB2 LYS A 69 3.840 -0.746 -8.011 1.00 11.20 H new ATOM 0 HB3 LYS A 69 3.116 -0.193 -6.514 1.00 11.20 H new ATOM 0 HG2 LYS A 69 2.785 -2.477 -6.235 1.00 71.25 H new ATOM 0 HG3 LYS A 69 1.300 -2.099 -7.086 1.00 71.25 H new ATOM 0 HD2 LYS A 69 2.479 -2.659 -9.275 1.00 21.40 H new ATOM 0 HD3 LYS A 69 3.877 -3.165 -8.348 1.00 21.40 H new ATOM 0 HE2 LYS A 69 2.763 -5.205 -8.590 1.00 5.40 H new ATOM 0 HE3 LYS A 69 2.141 -4.678 -7.039 1.00 5.40 H new ATOM 0 HZ1 LYS A 69 0.379 -5.439 -8.476 1.00 25.54 H new ATOM 0 HZ2 LYS A 69 0.194 -3.782 -8.154 1.00 25.54 H new ATOM 0 HZ3 LYS A 69 0.796 -4.293 -9.658 1.00 25.54 H new ATOM 1059 N TYR A 70 1.068 1.598 -6.488 1.00 62.22 N ATOM 1060 CA TYR A 70 0.151 2.192 -5.520 1.00 13.40 C ATOM 1061 C TYR A 70 -1.071 2.777 -6.226 1.00 24.32 C ATOM 1062 O TYR A 70 -2.204 2.401 -5.919 1.00 32.51 O ATOM 1063 CB TYR A 70 0.888 3.265 -4.700 1.00 50.12 C ATOM 1064 CG TYR A 70 0.165 3.757 -3.457 1.00 24.10 C ATOM 1065 CD1 TYR A 70 -0.196 2.845 -2.447 1.00 62.53 C ATOM 1066 CD2 TYR A 70 -0.047 5.135 -3.250 1.00 45.14 C ATOM 1067 CE1 TYR A 70 -0.722 3.302 -1.230 1.00 74.53 C ATOM 1068 CE2 TYR A 70 -0.597 5.595 -2.039 1.00 1.01 C ATOM 1069 CZ TYR A 70 -0.943 4.678 -1.024 1.00 34.12 C ATOM 1070 OH TYR A 70 -1.531 5.076 0.135 1.00 25.10 O ATOM 0 H TYR A 70 2.003 2.002 -6.446 1.00 62.22 H new ATOM 0 HA TYR A 70 -0.202 1.418 -4.839 1.00 13.40 H new ATOM 0 HB2 TYR A 70 1.857 2.865 -4.400 1.00 50.12 H new ATOM 0 HB3 TYR A 70 1.083 4.120 -5.347 1.00 50.12 H new ATOM 0 HD1 TYR A 70 -0.067 1.785 -2.611 1.00 62.53 H new ATOM 0 HD2 TYR A 70 0.214 5.841 -4.024 1.00 45.14 H new ATOM 0 HE1 TYR A 70 -0.959 2.596 -0.448 1.00 74.53 H new ATOM 0 HE2 TYR A 70 -0.755 6.652 -1.886 1.00 1.01 H new ATOM 0 HH TYR A 70 -2.302 4.501 0.325 1.00 25.10 H new ATOM 1080 N GLU A 71 -0.833 3.650 -7.205 1.00 11.30 N ATOM 1081 CA GLU A 71 -1.864 4.370 -7.936 1.00 41.42 C ATOM 1082 C GLU A 71 -2.823 3.402 -8.633 1.00 23.54 C ATOM 1083 O GLU A 71 -4.046 3.587 -8.588 1.00 43.21 O ATOM 1084 CB GLU A 71 -1.195 5.287 -8.968 1.00 52.23 C ATOM 1085 CG GLU A 71 -0.451 6.486 -8.361 1.00 11.31 C ATOM 1086 CD GLU A 71 -1.222 7.787 -8.585 1.00 44.22 C ATOM 1087 OE1 GLU A 71 -2.223 8.023 -7.869 1.00 73.12 O ATOM 1088 OE2 GLU A 71 -0.841 8.534 -9.523 1.00 5.01 O ATOM 0 H GLU A 71 0.111 3.879 -7.517 1.00 11.30 H new ATOM 0 HA GLU A 71 -2.447 4.965 -7.233 1.00 41.42 H new ATOM 0 HB2 GLU A 71 -0.492 4.699 -9.557 1.00 52.23 H new ATOM 0 HB3 GLU A 71 -1.956 5.657 -9.655 1.00 52.23 H new ATOM 0 HG2 GLU A 71 -0.307 6.325 -7.293 1.00 11.31 H new ATOM 0 HG3 GLU A 71 0.540 6.566 -8.808 1.00 11.31 H new ATOM 1095 N GLY A 72 -2.282 2.373 -9.291 1.00 23.11 N ATOM 1096 CA GLY A 72 -3.059 1.370 -10.002 1.00 74.15 C ATOM 1097 C GLY A 72 -3.913 0.534 -9.051 1.00 34.42 C ATOM 1098 O GLY A 72 -4.978 0.039 -9.438 1.00 62.53 O ATOM 0 H GLY A 72 -1.275 2.216 -9.342 1.00 23.11 H new ATOM 0 HA2 GLY A 72 -3.703 1.860 -10.733 1.00 74.15 H new ATOM 0 HA3 GLY A 72 -2.387 0.716 -10.557 1.00 74.15 H new ATOM 1102 N LEU A 73 -3.487 0.393 -7.793 1.00 44.05 N ATOM 1103 CA LEU A 73 -4.114 -0.500 -6.832 1.00 43.02 C ATOM 1104 C LEU A 73 -5.450 0.014 -6.330 1.00 64.15 C ATOM 1105 O LEU A 73 -6.203 -0.774 -5.775 1.00 64.11 O ATOM 1106 CB LEU A 73 -3.187 -0.721 -5.632 1.00 34.24 C ATOM 1107 CG LEU A 73 -3.256 -2.122 -4.996 1.00 62.13 C ATOM 1108 CD1 LEU A 73 -2.932 -3.258 -5.979 1.00 3.24 C ATOM 1109 CD2 LEU A 73 -2.111 -2.114 -3.979 1.00 24.34 C ATOM 0 H LEU A 73 -2.689 0.903 -7.415 1.00 44.05 H new ATOM 0 HA LEU A 73 -4.294 -1.438 -7.357 1.00 43.02 H new ATOM 0 HB2 LEU A 73 -2.161 -0.533 -5.947 1.00 34.24 H new ATOM 0 HB3 LEU A 73 -3.426 0.019 -4.868 1.00 34.24 H new ATOM 0 HG LEU A 73 -4.259 -2.298 -4.608 1.00 62.13 H new ATOM 0 HD11 LEU A 73 -3.000 -4.216 -5.463 1.00 3.24 H new ATOM 0 HD12 LEU A 73 -3.644 -3.239 -6.804 1.00 3.24 H new ATOM 0 HD13 LEU A 73 -1.922 -3.126 -6.368 1.00 3.24 H new ATOM 0 HD21 LEU A 73 -2.073 -3.075 -3.466 1.00 24.34 H new ATOM 0 HD22 LEU A 73 -1.167 -1.940 -4.495 1.00 24.34 H new ATOM 0 HD23 LEU A 73 -2.277 -1.321 -3.250 1.00 24.34 H new ATOM 1121 N MET A 74 -5.782 1.296 -6.505 1.00 34.40 N ATOM 1122 CA MET A 74 -7.082 1.817 -6.077 1.00 44.35 C ATOM 1123 C MET A 74 -8.217 1.062 -6.776 1.00 10.32 C ATOM 1124 O MET A 74 -9.212 0.711 -6.139 1.00 45.23 O ATOM 1125 CB MET A 74 -7.129 3.328 -6.333 1.00 32.43 C ATOM 1126 CG MET A 74 -8.465 3.954 -5.916 1.00 5.00 C ATOM 1127 SD MET A 74 -8.454 5.768 -5.881 1.00 30.11 S ATOM 1128 CE MET A 74 -7.583 6.061 -4.313 1.00 42.22 C ATOM 0 H MET A 74 -5.171 1.989 -6.938 1.00 34.40 H new ATOM 0 HA MET A 74 -7.218 1.657 -5.007 1.00 44.35 H new ATOM 0 HB2 MET A 74 -6.319 3.811 -5.786 1.00 32.43 H new ATOM 0 HB3 MET A 74 -6.957 3.519 -7.392 1.00 32.43 H new ATOM 0 HG2 MET A 74 -9.241 3.619 -6.604 1.00 5.00 H new ATOM 0 HG3 MET A 74 -8.734 3.584 -4.927 1.00 5.00 H new ATOM 0 HE1 MET A 74 -8.142 6.782 -3.716 1.00 42.22 H new ATOM 0 HE2 MET A 74 -7.497 5.123 -3.764 1.00 42.22 H new ATOM 0 HE3 MET A 74 -6.587 6.454 -4.518 1.00 42.22 H new ATOM 1138 N ALA A 75 -8.045 0.752 -8.065 1.00 30.23 N ATOM 1139 CA ALA A 75 -9.000 -0.053 -8.810 1.00 31.14 C ATOM 1140 C ALA A 75 -9.118 -1.453 -8.201 1.00 1.40 C ATOM 1141 O ALA A 75 -10.227 -1.913 -7.933 1.00 30.23 O ATOM 1142 CB ALA A 75 -8.541 -0.157 -10.261 1.00 3.41 C ATOM 0 H ALA A 75 -7.240 1.054 -8.614 1.00 30.23 H new ATOM 0 HA ALA A 75 -9.979 0.424 -8.764 1.00 31.14 H new ATOM 0 HB1 ALA A 75 -9.253 -0.759 -10.825 1.00 3.41 H new ATOM 0 HB2 ALA A 75 -8.484 0.840 -10.697 1.00 3.41 H new ATOM 0 HB3 ALA A 75 -7.558 -0.626 -10.299 1.00 3.41 H new ATOM 1148 N VAL A 76 -7.983 -2.126 -7.992 1.00 5.11 N ATOM 1149 CA VAL A 76 -7.925 -3.483 -7.455 1.00 24.11 C ATOM 1150 C VAL A 76 -8.588 -3.510 -6.084 1.00 72.23 C ATOM 1151 O VAL A 76 -9.440 -4.352 -5.823 1.00 30.50 O ATOM 1152 CB VAL A 76 -6.464 -3.971 -7.365 1.00 70.12 C ATOM 1153 CG1 VAL A 76 -6.403 -5.442 -6.934 1.00 10.22 C ATOM 1154 CG2 VAL A 76 -5.729 -3.774 -8.705 1.00 24.31 C ATOM 0 H VAL A 76 -7.064 -1.734 -8.196 1.00 5.11 H new ATOM 0 HA VAL A 76 -8.460 -4.157 -8.124 1.00 24.11 H new ATOM 0 HB VAL A 76 -5.961 -3.369 -6.608 1.00 70.12 H new ATOM 0 HG11 VAL A 76 -5.363 -5.762 -6.878 1.00 10.22 H new ATOM 0 HG12 VAL A 76 -6.870 -5.554 -5.956 1.00 10.22 H new ATOM 0 HG13 VAL A 76 -6.933 -6.057 -7.662 1.00 10.22 H new ATOM 0 HG21 VAL A 76 -4.702 -4.127 -8.612 1.00 24.31 H new ATOM 0 HG22 VAL A 76 -6.238 -4.340 -9.486 1.00 24.31 H new ATOM 0 HG23 VAL A 76 -5.727 -2.716 -8.967 1.00 24.31 H new ATOM 1164 N ALA A 77 -8.232 -2.559 -5.222 1.00 41.42 N ATOM 1165 CA ALA A 77 -8.681 -2.469 -3.851 1.00 33.13 C ATOM 1166 C ALA A 77 -10.211 -2.530 -3.801 1.00 54.05 C ATOM 1167 O ALA A 77 -10.809 -3.257 -3.012 1.00 10.04 O ATOM 1168 CB ALA A 77 -8.182 -1.155 -3.248 1.00 24.23 C ATOM 0 H ALA A 77 -7.597 -1.804 -5.479 1.00 41.42 H new ATOM 0 HA ALA A 77 -8.282 -3.304 -3.276 1.00 33.13 H new ATOM 0 HB1 ALA A 77 -8.517 -1.079 -2.213 1.00 24.23 H new ATOM 0 HB2 ALA A 77 -7.093 -1.131 -3.280 1.00 24.23 H new ATOM 0 HB3 ALA A 77 -8.581 -0.317 -3.820 1.00 24.23 H new ATOM 1174 N LYS A 78 -10.842 -1.738 -4.668 1.00 54.14 N ATOM 1175 CA LYS A 78 -12.284 -1.625 -4.796 1.00 12.03 C ATOM 1176 C LYS A 78 -12.922 -2.803 -5.505 1.00 52.41 C ATOM 1177 O LYS A 78 -14.112 -3.015 -5.263 1.00 21.13 O ATOM 1178 CB LYS A 78 -12.597 -0.349 -5.574 1.00 54.33 C ATOM 1179 CG LYS A 78 -12.388 0.916 -4.734 1.00 71.52 C ATOM 1180 CD LYS A 78 -12.780 2.148 -5.552 1.00 70.33 C ATOM 1181 CE LYS A 78 -14.295 2.196 -5.797 1.00 41.34 C ATOM 1182 NZ LYS A 78 -14.626 3.213 -6.807 1.00 54.42 N ATOM 0 H LYS A 78 -10.339 -1.138 -5.322 1.00 54.14 H new ATOM 0 HA LYS A 78 -12.700 -1.603 -3.789 1.00 12.03 H new ATOM 0 HB2 LYS A 78 -11.963 -0.302 -6.459 1.00 54.33 H new ATOM 0 HB3 LYS A 78 -13.629 -0.384 -5.922 1.00 54.33 H new ATOM 0 HG2 LYS A 78 -12.988 0.864 -3.826 1.00 71.52 H new ATOM 0 HG3 LYS A 78 -11.346 0.990 -4.424 1.00 71.52 H new ATOM 0 HD2 LYS A 78 -12.465 3.050 -5.028 1.00 70.33 H new ATOM 0 HD3 LYS A 78 -12.255 2.135 -6.507 1.00 70.33 H new ATOM 0 HE2 LYS A 78 -14.646 1.219 -6.129 1.00 41.34 H new ATOM 0 HE3 LYS A 78 -14.812 2.421 -4.864 1.00 41.34 H new ATOM 0 HZ1 LYS A 78 -15.655 3.230 -6.958 1.00 54.42 H new ATOM 0 HZ2 LYS A 78 -14.309 4.147 -6.476 1.00 54.42 H new ATOM 0 HZ3 LYS A 78 -14.148 2.982 -7.701 1.00 54.42 H new ATOM 1196 N ALA A 79 -12.196 -3.535 -6.352 1.00 30.11 N ATOM 1197 CA ALA A 79 -12.663 -4.823 -6.834 1.00 45.23 C ATOM 1198 C ALA A 79 -12.857 -5.705 -5.609 1.00 72.34 C ATOM 1199 O ALA A 79 -13.978 -6.126 -5.350 1.00 52.02 O ATOM 1200 CB ALA A 79 -11.684 -5.444 -7.840 1.00 61.35 C ATOM 0 H ALA A 79 -11.285 -3.253 -6.714 1.00 30.11 H new ATOM 0 HA ALA A 79 -13.602 -4.713 -7.377 1.00 45.23 H new ATOM 0 HB1 ALA A 79 -12.070 -6.406 -8.176 1.00 61.35 H new ATOM 0 HB2 ALA A 79 -11.571 -4.779 -8.696 1.00 61.35 H new ATOM 0 HB3 ALA A 79 -10.715 -5.588 -7.363 1.00 61.35 H new