USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= 0.71 (180deg=-0.18) USER MOD Single : A 18 GLN : amide:sc= 0.488 K(o=0.49,f=-2.2) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0.959) USER MOD Single : A 79 SER OG : rot 8:sc= 1.23 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 108:sc= 1.15 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 162:sc= -0.304 (180deg=-0.926) USER MOD Single : A 138 MET CE :methyl 140:sc= -1.85 (180deg=-4.3!) USER MOD Single : A 141 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.09) USER MOD Single : A 144 GLN : amide:sc= -4.45! C(o=-4.5!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 2.906 2.322 13.328 1.00 40.24 N ATOM 57 CA VAL A 5 2.742 1.550 12.115 1.00 53.13 C ATOM 58 C VAL A 5 1.525 2.075 11.362 1.00 40.43 C ATOM 59 O VAL A 5 0.385 1.863 11.776 1.00 74.12 O ATOM 60 CB VAL A 5 2.586 0.044 12.426 1.00 51.21 C ATOM 61 CG1 VAL A 5 2.376 -0.760 11.156 1.00 21.31 C ATOM 62 CG2 VAL A 5 3.800 -0.479 13.185 1.00 2.33 C ATOM 0 HA VAL A 5 3.633 1.659 11.497 1.00 53.13 H new ATOM 0 HB VAL A 5 1.703 -0.074 13.054 1.00 51.21 H new ATOM 0 HG11 VAL A 5 2.270 -1.815 11.407 1.00 21.31 H new ATOM 0 HG12 VAL A 5 1.474 -0.414 10.651 1.00 21.31 H new ATOM 0 HG13 VAL A 5 3.234 -0.629 10.496 1.00 21.31 H new ATOM 0 HG21 VAL A 5 3.669 -1.541 13.394 1.00 2.33 H new ATOM 0 HG22 VAL A 5 4.696 -0.336 12.581 1.00 2.33 H new ATOM 0 HG23 VAL A 5 3.904 0.065 14.124 1.00 2.33 H new ATOM 72 N VAL A 6 1.778 2.793 10.279 1.00 71.10 N ATOM 73 CA VAL A 6 0.722 3.458 9.539 1.00 34.51 C ATOM 74 C VAL A 6 -0.018 2.468 8.646 1.00 21.41 C ATOM 75 O VAL A 6 0.587 1.580 8.047 1.00 45.24 O ATOM 76 CB VAL A 6 1.280 4.637 8.699 1.00 2.15 C ATOM 77 CG1 VAL A 6 2.327 4.165 7.701 1.00 33.13 C ATOM 78 CG2 VAL A 6 0.159 5.374 7.987 1.00 24.34 C ATOM 0 H VAL A 6 2.712 2.929 9.893 1.00 71.10 H new ATOM 0 HA VAL A 6 0.016 3.866 10.262 1.00 34.51 H new ATOM 0 HB VAL A 6 1.764 5.328 9.389 1.00 2.15 H new ATOM 0 HG11 VAL A 6 2.696 5.017 7.130 1.00 33.13 H new ATOM 0 HG12 VAL A 6 3.156 3.700 8.235 1.00 33.13 H new ATOM 0 HG13 VAL A 6 1.881 3.439 7.022 1.00 33.13 H new ATOM 0 HG21 VAL A 6 0.576 6.196 7.405 1.00 24.34 H new ATOM 0 HG22 VAL A 6 -0.363 4.687 7.322 1.00 24.34 H new ATOM 0 HG23 VAL A 6 -0.541 5.769 8.723 1.00 24.34 H new ATOM 88 N ARG A 7 -1.333 2.608 8.590 1.00 52.13 N ATOM 89 CA ARG A 7 -2.157 1.726 7.785 1.00 14.45 C ATOM 90 C ARG A 7 -3.142 2.534 6.953 1.00 62.21 C ATOM 91 O ARG A 7 -3.762 3.478 7.445 1.00 14.32 O ATOM 92 CB ARG A 7 -2.923 0.744 8.676 1.00 41.30 C ATOM 93 CG ARG A 7 -3.968 1.410 9.554 1.00 43.41 C ATOM 94 CD ARG A 7 -4.821 0.394 10.293 1.00 13.44 C ATOM 95 NE ARG A 7 -5.928 1.033 11.001 1.00 61.35 N ATOM 96 CZ ARG A 7 -6.401 0.633 12.178 1.00 5.13 C ATOM 97 NH1 ARG A 7 -5.858 -0.401 12.806 1.00 10.14 N ATOM 98 NH2 ARG A 7 -7.422 1.271 12.731 1.00 10.13 N ATOM 0 H ARG A 7 -1.852 3.327 9.095 1.00 52.13 H new ATOM 0 HA ARG A 7 -1.502 1.164 7.119 1.00 14.45 H new ATOM 0 HB2 ARG A 7 -3.410 -0.001 8.047 1.00 41.30 H new ATOM 0 HB3 ARG A 7 -2.214 0.212 9.310 1.00 41.30 H new ATOM 0 HG2 ARG A 7 -3.474 2.062 10.275 1.00 43.41 H new ATOM 0 HG3 ARG A 7 -4.608 2.042 8.939 1.00 43.41 H new ATOM 0 HD2 ARG A 7 -5.214 -0.335 9.585 1.00 13.44 H new ATOM 0 HD3 ARG A 7 -4.202 -0.153 11.004 1.00 13.44 H new ATOM 0 HE ARG A 7 -6.368 1.842 10.562 1.00 61.35 H new ATOM 0 HH11 ARG A 7 -5.071 -0.896 12.387 1.00 10.14 H new ATOM 0 HH12 ARG A 7 -6.227 -0.701 13.708 1.00 10.14 H new ATOM 0 HH21 ARG A 7 -7.844 2.068 12.254 1.00 10.13 H new ATOM 0 HH22 ARG A 7 -7.786 0.965 13.634 1.00 10.13 H new ATOM 112 N ASP A 8 -3.255 2.175 5.691 1.00 53.42 N ATOM 113 CA ASP A 8 -4.260 2.748 4.813 1.00 74.02 C ATOM 114 C ASP A 8 -4.492 1.788 3.656 1.00 51.32 C ATOM 115 O ASP A 8 -3.755 0.808 3.506 1.00 63.53 O ATOM 116 CB ASP A 8 -3.835 4.131 4.302 1.00 55.22 C ATOM 117 CG ASP A 8 -5.022 5.016 3.960 1.00 35.50 C ATOM 118 OD1 ASP A 8 -5.707 4.752 2.951 1.00 74.44 O ATOM 119 OD2 ASP A 8 -5.283 5.977 4.714 1.00 0.30 O ATOM 0 H ASP A 8 -2.656 1.481 5.244 1.00 53.42 H new ATOM 0 HA ASP A 8 -5.187 2.889 5.368 1.00 74.02 H new ATOM 0 HB2 ASP A 8 -3.226 4.623 5.060 1.00 55.22 H new ATOM 0 HB3 ASP A 8 -3.209 4.011 3.418 1.00 55.22 H new ATOM 124 N ALA A 9 -5.491 2.060 2.842 1.00 34.21 N ATOM 125 CA ALA A 9 -5.872 1.140 1.787 1.00 65.50 C ATOM 126 C ALA A 9 -6.377 1.884 0.562 1.00 14.01 C ATOM 127 O ALA A 9 -7.362 2.624 0.632 1.00 64.33 O ATOM 128 CB ALA A 9 -6.928 0.175 2.292 1.00 64.33 C ATOM 0 H ALA A 9 -6.054 2.909 2.889 1.00 34.21 H new ATOM 0 HA ALA A 9 -4.987 0.576 1.493 1.00 65.50 H new ATOM 0 HB1 ALA A 9 -7.207 -0.511 1.492 1.00 64.33 H new ATOM 0 HB2 ALA A 9 -6.530 -0.392 3.134 1.00 64.33 H new ATOM 0 HB3 ALA A 9 -7.807 0.733 2.614 1.00 64.33 H new ATOM 134 N VAL A 10 -5.706 1.675 -0.558 1.00 21.43 N ATOM 135 CA VAL A 10 -6.088 2.306 -1.811 1.00 21.22 C ATOM 136 C VAL A 10 -6.593 1.263 -2.812 1.00 20.14 C ATOM 137 O VAL A 10 -5.989 0.204 -2.985 1.00 73.12 O ATOM 138 CB VAL A 10 -4.915 3.114 -2.423 1.00 63.34 C ATOM 139 CG1 VAL A 10 -4.651 4.376 -1.617 1.00 4.11 C ATOM 140 CG2 VAL A 10 -3.650 2.274 -2.510 1.00 14.32 C ATOM 0 H VAL A 10 -4.888 1.069 -0.625 1.00 21.43 H new ATOM 0 HA VAL A 10 -6.897 3.003 -1.592 1.00 21.22 H new ATOM 0 HB VAL A 10 -5.205 3.398 -3.435 1.00 63.34 H new ATOM 0 HG11 VAL A 10 -3.824 4.927 -2.065 1.00 4.11 H new ATOM 0 HG12 VAL A 10 -5.545 5.000 -1.615 1.00 4.11 H new ATOM 0 HG13 VAL A 10 -4.395 4.106 -0.592 1.00 4.11 H new ATOM 0 HG21 VAL A 10 -2.847 2.870 -2.943 1.00 14.32 H new ATOM 0 HG22 VAL A 10 -3.361 1.947 -1.511 1.00 14.32 H new ATOM 0 HG23 VAL A 10 -3.835 1.402 -3.138 1.00 14.32 H new ATOM 150 N THR A 11 -7.716 1.556 -3.452 1.00 54.42 N ATOM 151 CA THR A 11 -8.302 0.646 -4.425 1.00 3.45 C ATOM 152 C THR A 11 -7.925 1.047 -5.847 1.00 44.25 C ATOM 153 O THR A 11 -8.346 2.092 -6.342 1.00 52.14 O ATOM 154 CB THR A 11 -9.838 0.609 -4.306 1.00 75.11 C ATOM 155 OG1 THR A 11 -10.223 0.208 -2.987 1.00 24.41 O ATOM 156 CG2 THR A 11 -10.444 -0.349 -5.325 1.00 23.42 C ATOM 0 H THR A 11 -8.241 2.420 -3.314 1.00 54.42 H new ATOM 0 HA THR A 11 -7.904 -0.346 -4.211 1.00 3.45 H new ATOM 0 HB THR A 11 -10.213 1.613 -4.505 1.00 75.11 H new ATOM 0 HG1 THR A 11 -11.201 0.190 -2.923 1.00 24.41 H new ATOM 0 HG21 THR A 11 -11.529 -0.355 -5.218 1.00 23.42 H new ATOM 0 HG22 THR A 11 -10.180 -0.024 -6.331 1.00 23.42 H new ATOM 0 HG23 THR A 11 -10.057 -1.354 -5.155 1.00 23.42 H new ATOM 164 N ILE A 12 -7.125 0.216 -6.494 1.00 55.33 N ATOM 165 CA ILE A 12 -6.747 0.438 -7.882 1.00 72.20 C ATOM 166 C ILE A 12 -7.267 -0.713 -8.739 1.00 23.21 C ATOM 167 O ILE A 12 -7.333 -1.854 -8.274 1.00 51.44 O ATOM 168 CB ILE A 12 -5.209 0.565 -8.066 1.00 74.31 C ATOM 169 CG1 ILE A 12 -4.663 1.803 -7.354 1.00 33.05 C ATOM 170 CG2 ILE A 12 -4.829 0.597 -9.535 1.00 60.31 C ATOM 171 CD1 ILE A 12 -4.398 1.593 -5.880 1.00 35.22 C ATOM 0 H ILE A 12 -6.722 -0.624 -6.078 1.00 55.33 H new ATOM 0 HA ILE A 12 -7.193 1.382 -8.195 1.00 72.20 H new ATOM 0 HB ILE A 12 -4.758 -0.318 -7.613 1.00 74.31 H new ATOM 0 HG12 ILE A 12 -3.737 2.111 -7.840 1.00 33.05 H new ATOM 0 HG13 ILE A 12 -5.373 2.622 -7.473 1.00 33.05 H new ATOM 0 HG21 ILE A 12 -3.747 0.686 -9.629 1.00 60.31 H new ATOM 0 HG22 ILE A 12 -5.160 -0.323 -10.017 1.00 60.31 H new ATOM 0 HG23 ILE A 12 -5.307 1.451 -10.016 1.00 60.31 H new ATOM 0 HD11 ILE A 12 -4.013 2.515 -5.445 1.00 35.22 H new ATOM 0 HD12 ILE A 12 -5.326 1.315 -5.379 1.00 35.22 H new ATOM 0 HD13 ILE A 12 -3.664 0.797 -5.752 1.00 35.22 H new ATOM 183 N GLY A 13 -7.640 -0.413 -9.977 1.00 62.52 N ATOM 184 CA GLY A 13 -8.135 -1.434 -10.877 1.00 43.52 C ATOM 185 C GLY A 13 -7.030 -2.306 -11.450 1.00 75.22 C ATOM 186 O GLY A 13 -6.907 -2.447 -12.663 1.00 54.03 O ATOM 0 H GLY A 13 -7.608 0.526 -10.375 1.00 62.52 H new ATOM 0 HA2 GLY A 13 -8.849 -2.064 -10.346 1.00 43.52 H new ATOM 0 HA3 GLY A 13 -8.676 -0.958 -11.695 1.00 43.52 H new ATOM 190 N LYS A 14 -6.216 -2.877 -10.572 1.00 44.54 N ATOM 191 CA LYS A 14 -5.204 -3.853 -10.958 1.00 53.31 C ATOM 192 C LYS A 14 -5.689 -5.227 -10.519 1.00 34.03 C ATOM 193 O LYS A 14 -6.479 -5.314 -9.580 1.00 11.20 O ATOM 194 CB LYS A 14 -3.858 -3.550 -10.282 1.00 54.22 C ATOM 195 CG LYS A 14 -3.192 -2.243 -10.702 1.00 11.55 C ATOM 196 CD LYS A 14 -2.493 -2.342 -12.054 1.00 0.52 C ATOM 197 CE LYS A 14 -3.375 -1.848 -13.188 1.00 14.31 C ATOM 198 NZ LYS A 14 -3.799 -0.435 -12.992 1.00 11.14 N ATOM 0 H LYS A 14 -6.238 -2.677 -9.572 1.00 44.54 H new ATOM 0 HA LYS A 14 -5.055 -3.814 -12.037 1.00 53.31 H new ATOM 0 HB2 LYS A 14 -4.010 -3.530 -9.203 1.00 54.22 H new ATOM 0 HB3 LYS A 14 -3.173 -4.371 -10.492 1.00 54.22 H new ATOM 0 HG2 LYS A 14 -3.944 -1.455 -10.744 1.00 11.55 H new ATOM 0 HG3 LYS A 14 -2.466 -1.951 -9.943 1.00 11.55 H new ATOM 0 HD2 LYS A 14 -1.573 -1.758 -12.030 1.00 0.52 H new ATOM 0 HD3 LYS A 14 -2.209 -3.378 -12.240 1.00 0.52 H new ATOM 0 HE2 LYS A 14 -2.836 -1.937 -14.131 1.00 14.31 H new ATOM 0 HE3 LYS A 14 -4.257 -2.484 -13.264 1.00 14.31 H new ATOM 0 HZ1 LYS A 14 -4.032 -0.012 -13.913 1.00 11.14 H new ATOM 0 HZ2 LYS A 14 -4.636 -0.406 -12.376 1.00 11.14 H new ATOM 0 HZ3 LYS A 14 -3.025 0.102 -12.550 1.00 11.14 H new ATOM 212 N PRO A 15 -5.251 -6.312 -11.179 1.00 33.10 N ATOM 213 CA PRO A 15 -5.658 -7.669 -10.793 1.00 45.43 C ATOM 214 C PRO A 15 -5.343 -7.950 -9.325 1.00 23.13 C ATOM 215 O PRO A 15 -6.239 -8.276 -8.550 1.00 72.11 O ATOM 216 CB PRO A 15 -4.825 -8.569 -11.710 1.00 33.22 C ATOM 217 CG PRO A 15 -4.481 -7.711 -12.880 1.00 24.12 C ATOM 218 CD PRO A 15 -4.351 -6.311 -12.346 1.00 34.22 C ATOM 0 HA PRO A 15 -6.731 -7.828 -10.897 1.00 45.43 H new ATOM 0 HB2 PRO A 15 -3.928 -8.926 -11.204 1.00 33.22 H new ATOM 0 HB3 PRO A 15 -5.389 -9.449 -12.018 1.00 33.22 H new ATOM 0 HG2 PRO A 15 -3.551 -8.039 -13.344 1.00 24.12 H new ATOM 0 HG3 PRO A 15 -5.256 -7.766 -13.645 1.00 24.12 H new ATOM 0 HD2 PRO A 15 -3.324 -6.082 -12.062 1.00 34.22 H new ATOM 0 HD3 PRO A 15 -4.651 -5.568 -13.085 1.00 34.22 H new ATOM 226 N ALA A 16 -4.061 -7.808 -8.976 1.00 14.25 N ATOM 227 CA ALA A 16 -3.575 -7.875 -7.591 1.00 43.30 C ATOM 228 C ALA A 16 -2.057 -7.882 -7.606 1.00 2.45 C ATOM 229 O ALA A 16 -1.402 -7.101 -6.920 1.00 52.52 O ATOM 230 CB ALA A 16 -4.093 -9.106 -6.857 1.00 14.24 C ATOM 0 H ALA A 16 -3.319 -7.641 -9.656 1.00 14.25 H new ATOM 0 HA ALA A 16 -3.950 -7.003 -7.055 1.00 43.30 H new ATOM 0 HB1 ALA A 16 -3.707 -9.111 -5.838 1.00 14.24 H new ATOM 0 HB2 ALA A 16 -5.182 -9.083 -6.832 1.00 14.24 H new ATOM 0 HB3 ALA A 16 -3.761 -10.005 -7.376 1.00 14.24 H new ATOM 236 N GLU A 17 -1.525 -8.771 -8.439 1.00 11.44 N ATOM 237 CA GLU A 17 -0.090 -8.963 -8.621 1.00 61.42 C ATOM 238 C GLU A 17 0.647 -7.635 -8.848 1.00 3.14 C ATOM 239 O GLU A 17 1.699 -7.381 -8.259 1.00 21.42 O ATOM 240 CB GLU A 17 0.108 -9.894 -9.820 1.00 53.12 C ATOM 241 CG GLU A 17 1.553 -10.152 -10.206 1.00 21.04 C ATOM 242 CD GLU A 17 1.651 -10.943 -11.494 1.00 12.42 C ATOM 243 OE1 GLU A 17 1.582 -10.325 -12.579 1.00 1.34 O ATOM 244 OE2 GLU A 17 1.762 -12.185 -11.426 1.00 52.34 O ATOM 0 H GLU A 17 -2.091 -9.391 -9.018 1.00 11.44 H new ATOM 0 HA GLU A 17 0.330 -9.399 -7.715 1.00 61.42 H new ATOM 0 HB2 GLU A 17 -0.369 -10.849 -9.601 1.00 53.12 H new ATOM 0 HB3 GLU A 17 -0.411 -9.469 -10.679 1.00 53.12 H new ATOM 0 HG2 GLU A 17 2.075 -9.202 -10.321 1.00 21.04 H new ATOM 0 HG3 GLU A 17 2.053 -10.696 -9.405 1.00 21.04 H new ATOM 251 N GLN A 18 0.069 -6.787 -9.692 1.00 13.22 N ATOM 252 CA GLN A 18 0.682 -5.510 -10.062 1.00 4.22 C ATOM 253 C GLN A 18 0.801 -4.564 -8.868 1.00 2.31 C ATOM 254 O GLN A 18 1.638 -3.663 -8.861 1.00 13.22 O ATOM 255 CB GLN A 18 -0.130 -4.833 -11.170 1.00 61.32 C ATOM 256 CG GLN A 18 0.112 -5.396 -12.564 1.00 62.05 C ATOM 257 CD GLN A 18 -0.013 -6.904 -12.634 1.00 33.11 C ATOM 258 OE1 GLN A 18 -1.109 -7.436 -12.802 1.00 1.35 O ATOM 259 NE2 GLN A 18 1.111 -7.596 -12.530 1.00 54.34 N ATOM 0 H GLN A 18 -0.832 -6.961 -10.138 1.00 13.22 H new ATOM 0 HA GLN A 18 1.688 -5.728 -10.421 1.00 4.22 H new ATOM 0 HB2 GLN A 18 -1.190 -4.925 -10.934 1.00 61.32 H new ATOM 0 HB3 GLN A 18 0.104 -3.768 -11.176 1.00 61.32 H new ATOM 0 HG2 GLN A 18 -0.599 -4.947 -13.257 1.00 62.05 H new ATOM 0 HG3 GLN A 18 1.108 -5.106 -12.897 1.00 62.05 H new ATOM 0 HE21 GLN A 18 1.997 -7.111 -12.391 1.00 54.34 H new ATOM 0 HE22 GLN A 18 1.090 -8.614 -12.589 1.00 54.34 H new ATOM 268 N LEU A 19 -0.032 -4.776 -7.862 1.00 32.23 N ATOM 269 CA LEU A 19 -0.035 -3.919 -6.687 1.00 13.43 C ATOM 270 C LEU A 19 1.140 -4.253 -5.778 1.00 5.13 C ATOM 271 O LEU A 19 1.598 -3.416 -5.008 1.00 43.11 O ATOM 272 CB LEU A 19 -1.358 -4.061 -5.935 1.00 63.45 C ATOM 273 CG LEU A 19 -2.579 -3.513 -6.672 1.00 71.20 C ATOM 274 CD1 LEU A 19 -3.847 -3.797 -5.887 1.00 55.44 C ATOM 275 CD2 LEU A 19 -2.429 -2.019 -6.918 1.00 61.13 C ATOM 0 H LEU A 19 -0.714 -5.534 -7.835 1.00 32.23 H new ATOM 0 HA LEU A 19 0.071 -2.883 -7.010 1.00 13.43 H new ATOM 0 HB2 LEU A 19 -1.525 -5.116 -5.720 1.00 63.45 H new ATOM 0 HB3 LEU A 19 -1.271 -3.550 -4.976 1.00 63.45 H new ATOM 0 HG LEU A 19 -2.651 -4.015 -7.637 1.00 71.20 H new ATOM 0 HD11 LEU A 19 -4.706 -3.399 -6.427 1.00 55.44 H new ATOM 0 HD12 LEU A 19 -3.964 -4.873 -5.761 1.00 55.44 H new ATOM 0 HD13 LEU A 19 -3.783 -3.322 -4.908 1.00 55.44 H new ATOM 0 HD21 LEU A 19 -3.308 -1.647 -7.444 1.00 61.13 H new ATOM 0 HD22 LEU A 19 -2.331 -1.501 -5.964 1.00 61.13 H new ATOM 0 HD23 LEU A 19 -1.541 -1.837 -7.523 1.00 61.13 H new ATOM 287 N TYR A 20 1.624 -5.482 -5.874 1.00 42.24 N ATOM 288 CA TYR A 20 2.809 -5.899 -5.138 1.00 74.20 C ATOM 289 C TYR A 20 4.052 -5.251 -5.748 1.00 22.21 C ATOM 290 O TYR A 20 4.940 -4.775 -5.044 1.00 23.22 O ATOM 291 CB TYR A 20 2.930 -7.429 -5.173 1.00 40.11 C ATOM 292 CG TYR A 20 4.006 -8.001 -4.270 1.00 31.52 C ATOM 293 CD1 TYR A 20 3.741 -8.273 -2.935 1.00 32.30 C ATOM 294 CD2 TYR A 20 5.276 -8.292 -4.757 1.00 63.45 C ATOM 295 CE1 TYR A 20 4.707 -8.818 -2.110 1.00 31.12 C ATOM 296 CE2 TYR A 20 6.249 -8.833 -3.935 1.00 24.15 C ATOM 297 CZ TYR A 20 5.957 -9.096 -2.614 1.00 72.04 C ATOM 298 OH TYR A 20 6.914 -9.650 -1.791 1.00 50.05 O ATOM 0 H TYR A 20 1.213 -6.211 -6.457 1.00 42.24 H new ATOM 0 HA TYR A 20 2.722 -5.578 -4.100 1.00 74.20 H new ATOM 0 HB2 TYR A 20 1.970 -7.862 -4.891 1.00 40.11 H new ATOM 0 HB3 TYR A 20 3.132 -7.740 -6.198 1.00 40.11 H new ATOM 0 HD1 TYR A 20 2.762 -8.055 -2.534 1.00 32.30 H new ATOM 0 HD2 TYR A 20 5.506 -8.093 -5.793 1.00 63.45 H new ATOM 0 HE1 TYR A 20 4.482 -9.025 -1.074 1.00 31.12 H new ATOM 0 HE2 TYR A 20 7.232 -9.048 -4.327 1.00 24.15 H new ATOM 0 HH TYR A 20 7.742 -9.787 -2.298 1.00 50.05 H new ATOM 308 N ALA A 21 4.084 -5.222 -7.075 1.00 55.33 N ATOM 309 CA ALA A 21 5.239 -4.728 -7.822 1.00 20.02 C ATOM 310 C ALA A 21 5.337 -3.198 -7.828 1.00 24.12 C ATOM 311 O ALA A 21 6.347 -2.640 -8.263 1.00 54.22 O ATOM 312 CB ALA A 21 5.184 -5.255 -9.246 1.00 51.41 C ATOM 0 H ALA A 21 3.314 -5.539 -7.664 1.00 55.33 H new ATOM 0 HA ALA A 21 6.133 -5.095 -7.318 1.00 20.02 H new ATOM 0 HB1 ALA A 21 6.045 -4.887 -9.804 1.00 51.41 H new ATOM 0 HB2 ALA A 21 5.200 -6.345 -9.232 1.00 51.41 H new ATOM 0 HB3 ALA A 21 4.267 -4.912 -9.726 1.00 51.41 H new ATOM 318 N VAL A 22 4.303 -2.523 -7.336 1.00 22.15 N ATOM 319 CA VAL A 22 4.243 -1.060 -7.396 1.00 45.12 C ATOM 320 C VAL A 22 5.391 -0.412 -6.616 1.00 71.11 C ATOM 321 O VAL A 22 5.776 0.723 -6.894 1.00 14.51 O ATOM 322 CB VAL A 22 2.892 -0.513 -6.876 1.00 32.33 C ATOM 323 CG1 VAL A 22 2.772 -0.670 -5.367 1.00 4.24 C ATOM 324 CG2 VAL A 22 2.710 0.942 -7.287 1.00 33.23 C ATOM 0 H VAL A 22 3.496 -2.961 -6.892 1.00 22.15 H new ATOM 0 HA VAL A 22 4.341 -0.796 -8.449 1.00 45.12 H new ATOM 0 HB VAL A 22 2.096 -1.102 -7.331 1.00 32.33 H new ATOM 0 HG11 VAL A 22 1.811 -0.276 -5.035 1.00 4.24 H new ATOM 0 HG12 VAL A 22 2.841 -1.726 -5.104 1.00 4.24 H new ATOM 0 HG13 VAL A 22 3.577 -0.121 -4.879 1.00 4.24 H new ATOM 0 HG21 VAL A 22 1.754 1.309 -6.912 1.00 33.23 H new ATOM 0 HG22 VAL A 22 3.518 1.542 -6.869 1.00 33.23 H new ATOM 0 HG23 VAL A 22 2.727 1.018 -8.374 1.00 33.23 H new ATOM 334 N TRP A 23 5.957 -1.156 -5.669 1.00 72.11 N ATOM 335 CA TRP A 23 7.009 -0.638 -4.800 1.00 31.13 C ATOM 336 C TRP A 23 8.266 -0.283 -5.604 1.00 15.11 C ATOM 337 O TRP A 23 9.154 0.416 -5.111 1.00 4.01 O ATOM 338 CB TRP A 23 7.337 -1.665 -3.711 1.00 73.30 C ATOM 339 CG TRP A 23 8.063 -1.087 -2.527 1.00 65.13 C ATOM 340 CD1 TRP A 23 9.320 -1.404 -2.097 1.00 34.32 C ATOM 341 CD2 TRP A 23 7.570 -0.089 -1.622 1.00 62.14 C ATOM 342 NE1 TRP A 23 9.633 -0.675 -0.974 1.00 55.42 N ATOM 343 CE2 TRP A 23 8.577 0.141 -0.667 1.00 14.25 C ATOM 344 CE3 TRP A 23 6.373 0.631 -1.527 1.00 63.51 C ATOM 345 CZ2 TRP A 23 8.424 1.059 0.372 1.00 13.43 C ATOM 346 CZ3 TRP A 23 6.225 1.542 -0.497 1.00 64.52 C ATOM 347 CH2 TRP A 23 7.244 1.750 0.439 1.00 0.21 C ATOM 0 H TRP A 23 5.702 -2.126 -5.484 1.00 72.11 H new ATOM 0 HA TRP A 23 6.649 0.276 -4.329 1.00 31.13 H new ATOM 0 HB2 TRP A 23 6.410 -2.124 -3.368 1.00 73.30 H new ATOM 0 HB3 TRP A 23 7.945 -2.459 -4.145 1.00 73.30 H new ATOM 0 HD1 TRP A 23 9.973 -2.123 -2.570 1.00 34.32 H new ATOM 0 HE1 TRP A 23 10.509 -0.733 -0.454 1.00 55.42 H new ATOM 0 HE3 TRP A 23 5.580 0.478 -2.244 1.00 63.51 H new ATOM 0 HZ2 TRP A 23 9.208 1.219 1.097 1.00 13.43 H new ATOM 0 HZ3 TRP A 23 5.306 2.103 -0.414 1.00 64.52 H new ATOM 0 HH2 TRP A 23 7.097 2.470 1.230 1.00 0.21 H new ATOM 358 N ARG A 24 8.338 -0.761 -6.845 1.00 5.43 N ATOM 359 CA ARG A 24 9.457 -0.434 -7.718 1.00 11.13 C ATOM 360 C ARG A 24 8.982 -0.242 -9.162 1.00 12.11 C ATOM 361 O ARG A 24 9.584 -0.765 -10.105 1.00 50.41 O ATOM 362 CB ARG A 24 10.539 -1.516 -7.632 1.00 20.24 C ATOM 363 CG ARG A 24 11.889 -1.074 -8.189 1.00 22.24 C ATOM 364 CD ARG A 24 12.984 -2.075 -7.862 1.00 63.31 C ATOM 365 NE ARG A 24 13.158 -2.232 -6.417 1.00 14.11 N ATOM 366 CZ ARG A 24 13.980 -3.112 -5.852 1.00 55.20 C ATOM 367 NH1 ARG A 24 14.758 -3.885 -6.600 1.00 31.20 N ATOM 368 NH2 ARG A 24 14.039 -3.204 -4.531 1.00 42.42 N ATOM 0 H ARG A 24 7.637 -1.372 -7.264 1.00 5.43 H new ATOM 0 HA ARG A 24 9.892 0.507 -7.383 1.00 11.13 H new ATOM 0 HB2 ARG A 24 10.664 -1.811 -6.590 1.00 20.24 H new ATOM 0 HB3 ARG A 24 10.202 -2.399 -8.175 1.00 20.24 H new ATOM 0 HG2 ARG A 24 11.816 -0.954 -9.270 1.00 22.24 H new ATOM 0 HG3 ARG A 24 12.152 -0.099 -7.778 1.00 22.24 H new ATOM 0 HD2 ARG A 24 12.740 -3.040 -8.306 1.00 63.31 H new ATOM 0 HD3 ARG A 24 13.923 -1.747 -8.308 1.00 63.31 H new ATOM 0 HE ARG A 24 12.613 -1.627 -5.803 1.00 14.11 H new ATOM 0 HH11 ARG A 24 14.728 -3.807 -7.617 1.00 31.20 H new ATOM 0 HH12 ARG A 24 15.385 -4.557 -6.158 1.00 31.20 H new ATOM 0 HH21 ARG A 24 13.455 -2.601 -3.951 1.00 42.42 H new ATOM 0 HH22 ARG A 24 14.668 -3.878 -4.094 1.00 42.42 H new ATOM 382 N ASP A 25 7.893 0.517 -9.315 1.00 32.20 N ATOM 383 CA ASP A 25 7.392 0.947 -10.628 1.00 25.24 C ATOM 384 C ASP A 25 6.961 -0.241 -11.512 1.00 22.02 C ATOM 385 O ASP A 25 6.978 -0.165 -12.738 1.00 33.30 O ATOM 386 CB ASP A 25 8.480 1.795 -11.293 1.00 50.10 C ATOM 387 CG ASP A 25 8.100 2.346 -12.655 1.00 14.12 C ATOM 388 OD1 ASP A 25 7.100 3.085 -12.746 1.00 72.24 O ATOM 389 OD2 ASP A 25 8.817 2.048 -13.643 1.00 62.13 O ATOM 0 H ASP A 25 7.332 0.852 -8.532 1.00 32.20 H new ATOM 0 HA ASP A 25 6.489 1.543 -10.495 1.00 25.24 H new ATOM 0 HB2 ASP A 25 8.728 2.627 -10.634 1.00 50.10 H new ATOM 0 HB3 ASP A 25 9.381 1.191 -11.397 1.00 50.10 H new ATOM 394 N LEU A 26 6.536 -1.326 -10.864 1.00 24.22 N ATOM 395 CA LEU A 26 6.044 -2.525 -11.558 1.00 22.21 C ATOM 396 C LEU A 26 7.060 -3.033 -12.589 1.00 25.15 C ATOM 397 O LEU A 26 6.939 -2.764 -13.787 1.00 12.33 O ATOM 398 CB LEU A 26 4.679 -2.278 -12.237 1.00 32.43 C ATOM 399 CG LEU A 26 3.507 -1.939 -11.307 1.00 53.11 C ATOM 400 CD1 LEU A 26 3.574 -0.493 -10.838 1.00 3.33 C ATOM 401 CD2 LEU A 26 2.190 -2.203 -12.014 1.00 22.10 C ATOM 0 H LEU A 26 6.521 -1.402 -9.847 1.00 24.22 H new ATOM 0 HA LEU A 26 5.909 -3.293 -10.796 1.00 22.21 H new ATOM 0 HB2 LEU A 26 4.795 -1.463 -12.952 1.00 32.43 H new ATOM 0 HB3 LEU A 26 4.415 -3.168 -12.809 1.00 32.43 H new ATOM 0 HG LEU A 26 3.576 -2.579 -10.427 1.00 53.11 H new ATOM 0 HD11 LEU A 26 2.730 -0.284 -10.181 1.00 3.33 H new ATOM 0 HD12 LEU A 26 4.505 -0.329 -10.296 1.00 3.33 H new ATOM 0 HD13 LEU A 26 3.535 0.172 -11.701 1.00 3.33 H new ATOM 0 HD21 LEU A 26 1.363 -1.960 -11.346 1.00 22.10 H new ATOM 0 HD22 LEU A 26 2.127 -1.585 -12.909 1.00 22.10 H new ATOM 0 HD23 LEU A 26 2.132 -3.255 -12.295 1.00 22.10 H new ATOM 413 N PRO A 27 8.086 -3.765 -12.128 1.00 1.42 N ATOM 414 CA PRO A 27 9.156 -4.268 -12.999 1.00 32.12 C ATOM 415 C PRO A 27 8.708 -5.417 -13.899 1.00 71.35 C ATOM 416 O PRO A 27 7.618 -5.969 -13.734 1.00 72.24 O ATOM 417 CB PRO A 27 10.212 -4.760 -12.005 1.00 32.50 C ATOM 418 CG PRO A 27 9.446 -5.112 -10.779 1.00 50.22 C ATOM 419 CD PRO A 27 8.292 -4.152 -10.719 1.00 10.15 C ATOM 0 HA PRO A 27 9.506 -3.498 -13.686 1.00 32.12 H new ATOM 0 HB2 PRO A 27 10.751 -5.623 -12.396 1.00 32.50 H new ATOM 0 HB3 PRO A 27 10.953 -3.987 -11.800 1.00 32.50 H new ATOM 0 HG2 PRO A 27 9.094 -6.143 -10.822 1.00 50.22 H new ATOM 0 HG3 PRO A 27 10.071 -5.026 -9.890 1.00 50.22 H new ATOM 0 HD2 PRO A 27 7.402 -4.621 -10.298 1.00 10.15 H new ATOM 0 HD3 PRO A 27 8.522 -3.288 -10.096 1.00 10.15 H new ATOM 998 N ALA A 64 15.952 -12.024 6.801 1.00 0.24 N ATOM 999 CA ALA A 64 14.525 -11.824 6.963 1.00 52.10 C ATOM 1000 C ALA A 64 13.766 -12.603 5.901 1.00 62.34 C ATOM 1001 O ALA A 64 13.930 -12.357 4.715 1.00 12.21 O ATOM 1002 CB ALA A 64 14.182 -10.343 6.890 1.00 21.11 C ATOM 0 HA ALA A 64 14.228 -12.193 7.945 1.00 52.10 H new ATOM 0 HB1 ALA A 64 13.107 -10.212 7.014 1.00 21.11 H new ATOM 0 HB2 ALA A 64 14.706 -9.809 7.682 1.00 21.11 H new ATOM 0 HB3 ALA A 64 14.487 -9.946 5.922 1.00 21.11 H new ATOM 1008 N GLU A 65 12.973 -13.567 6.335 1.00 54.34 N ATOM 1009 CA GLU A 65 12.155 -14.350 5.427 1.00 51.13 C ATOM 1010 C GLU A 65 10.690 -14.258 5.856 1.00 5.32 C ATOM 1011 O GLU A 65 10.396 -13.995 7.029 1.00 74.13 O ATOM 1012 CB GLU A 65 12.662 -15.796 5.434 1.00 14.20 C ATOM 1013 CG GLU A 65 12.052 -16.697 4.382 1.00 0.01 C ATOM 1014 CD GLU A 65 11.966 -16.048 3.015 1.00 12.42 C ATOM 1015 OE1 GLU A 65 12.959 -16.100 2.261 1.00 13.15 O ATOM 1016 OE2 GLU A 65 10.897 -15.495 2.682 1.00 0.42 O ATOM 0 H GLU A 65 12.878 -13.827 7.317 1.00 54.34 H new ATOM 0 HA GLU A 65 12.226 -13.966 4.410 1.00 51.13 H new ATOM 0 HB2 GLU A 65 13.743 -15.786 5.298 1.00 14.20 H new ATOM 0 HB3 GLU A 65 12.468 -16.228 6.416 1.00 14.20 H new ATOM 0 HG2 GLU A 65 12.644 -17.609 4.307 1.00 0.01 H new ATOM 0 HG3 GLU A 65 11.052 -16.991 4.701 1.00 0.01 H new ATOM 1023 N LEU A 66 9.779 -14.455 4.914 1.00 1.53 N ATOM 1024 CA LEU A 66 8.356 -14.272 5.170 1.00 74.02 C ATOM 1025 C LEU A 66 7.590 -15.579 5.034 1.00 10.34 C ATOM 1026 O LEU A 66 7.789 -16.336 4.087 1.00 31.32 O ATOM 1027 CB LEU A 66 7.792 -13.203 4.234 1.00 12.44 C ATOM 1028 CG LEU A 66 7.673 -11.807 4.854 1.00 14.43 C ATOM 1029 CD1 LEU A 66 8.923 -11.453 5.652 1.00 34.41 C ATOM 1030 CD2 LEU A 66 7.411 -10.765 3.779 1.00 1.42 C ATOM 0 H LEU A 66 10.001 -14.743 3.961 1.00 1.53 H new ATOM 0 HA LEU A 66 8.234 -13.937 6.200 1.00 74.02 H new ATOM 0 HB2 LEU A 66 8.428 -13.140 3.351 1.00 12.44 H new ATOM 0 HB3 LEU A 66 6.806 -13.520 3.895 1.00 12.44 H new ATOM 0 HG LEU A 66 6.827 -11.815 5.541 1.00 14.43 H new ATOM 0 HD11 LEU A 66 8.811 -10.457 6.081 1.00 34.41 H new ATOM 0 HD12 LEU A 66 9.061 -12.179 6.453 1.00 34.41 H new ATOM 0 HD13 LEU A 66 9.792 -11.469 4.994 1.00 34.41 H new ATOM 0 HD21 LEU A 66 7.330 -9.780 4.239 1.00 1.42 H new ATOM 0 HD22 LEU A 66 8.234 -10.765 3.064 1.00 1.42 H new ATOM 0 HD23 LEU A 66 6.481 -11.002 3.262 1.00 1.42 H new ATOM 1042 N THR A 67 6.707 -15.821 5.993 1.00 52.22 N ATOM 1043 CA THR A 67 5.968 -17.071 6.082 1.00 74.22 C ATOM 1044 C THR A 67 4.865 -17.141 5.038 1.00 33.13 C ATOM 1045 O THR A 67 4.548 -18.219 4.532 1.00 65.44 O ATOM 1046 CB THR A 67 5.360 -17.257 7.495 1.00 4.31 C ATOM 1047 OG1 THR A 67 4.613 -18.478 7.569 1.00 74.44 O ATOM 1048 CG2 THR A 67 4.454 -16.089 7.868 1.00 74.40 C ATOM 0 H THR A 67 6.483 -15.155 6.732 1.00 52.22 H new ATOM 0 HA THR A 67 6.677 -17.877 5.891 1.00 74.22 H new ATOM 0 HB THR A 67 6.189 -17.296 8.201 1.00 4.31 H new ATOM 0 HG1 THR A 67 4.238 -18.578 8.469 1.00 74.44 H new ATOM 0 HG21 THR A 67 4.044 -16.251 8.865 1.00 74.40 H new ATOM 0 HG22 THR A 67 5.030 -15.164 7.858 1.00 74.40 H new ATOM 0 HG23 THR A 67 3.639 -16.016 7.148 1.00 74.40 H new ATOM 1056 N ALA A 68 4.288 -15.999 4.701 1.00 1.04 N ATOM 1057 CA ALA A 68 3.174 -15.986 3.776 1.00 44.55 C ATOM 1058 C ALA A 68 3.202 -14.760 2.894 1.00 63.35 C ATOM 1059 O ALA A 68 3.348 -13.637 3.375 1.00 11.54 O ATOM 1060 CB ALA A 68 1.854 -16.054 4.526 1.00 71.13 C ATOM 0 H ALA A 68 4.570 -15.083 5.050 1.00 1.04 H new ATOM 0 HA ALA A 68 3.268 -16.866 3.139 1.00 44.55 H new ATOM 0 HB1 ALA A 68 1.030 -16.043 3.813 1.00 71.13 H new ATOM 0 HB2 ALA A 68 1.815 -16.972 5.112 1.00 71.13 H new ATOM 0 HB3 ALA A 68 1.769 -15.195 5.192 1.00 71.13 H new ATOM 1066 N ASP A 69 3.070 -14.991 1.607 1.00 61.11 N ATOM 1067 CA ASP A 69 2.935 -13.920 0.641 1.00 10.02 C ATOM 1068 C ASP A 69 2.084 -14.399 -0.523 1.00 31.35 C ATOM 1069 O ASP A 69 2.470 -15.292 -1.279 1.00 61.01 O ATOM 1070 CB ASP A 69 4.302 -13.406 0.160 1.00 5.34 C ATOM 1071 CG ASP A 69 5.089 -14.406 -0.672 1.00 62.30 C ATOM 1072 OD1 ASP A 69 5.585 -15.403 -0.111 1.00 0.22 O ATOM 1073 OD2 ASP A 69 5.245 -14.177 -1.891 1.00 33.13 O ATOM 0 H ASP A 69 3.053 -15.926 1.199 1.00 61.11 H new ATOM 0 HA ASP A 69 2.441 -13.077 1.123 1.00 10.02 H new ATOM 0 HB2 ASP A 69 4.150 -12.501 -0.428 1.00 5.34 H new ATOM 0 HB3 ASP A 69 4.898 -13.125 1.029 1.00 5.34 H new ATOM 1078 N GLU A 70 0.896 -13.846 -0.623 1.00 11.41 N ATOM 1079 CA GLU A 70 -0.012 -14.193 -1.695 1.00 52.31 C ATOM 1080 C GLU A 70 -0.105 -13.032 -2.673 1.00 32.43 C ATOM 1081 O GLU A 70 -0.114 -11.875 -2.256 1.00 34.00 O ATOM 1082 CB GLU A 70 -1.396 -14.504 -1.119 1.00 1.13 C ATOM 1083 CG GLU A 70 -1.394 -15.590 -0.052 1.00 35.31 C ATOM 1084 CD GLU A 70 -1.474 -16.990 -0.629 1.00 64.03 C ATOM 1085 OE1 GLU A 70 -0.494 -17.446 -1.248 1.00 11.44 O ATOM 1086 OE2 GLU A 70 -2.533 -17.637 -0.470 1.00 31.20 O ATOM 0 H GLU A 70 0.534 -13.150 0.029 1.00 11.41 H new ATOM 0 HA GLU A 70 0.360 -15.074 -2.217 1.00 52.31 H new ATOM 0 HB2 GLU A 70 -1.814 -13.592 -0.693 1.00 1.13 H new ATOM 0 HB3 GLU A 70 -2.056 -14.808 -1.931 1.00 1.13 H new ATOM 0 HG2 GLU A 70 -0.487 -15.501 0.547 1.00 35.31 H new ATOM 0 HG3 GLU A 70 -2.237 -15.432 0.621 1.00 35.31 H new ATOM 1093 N PRO A 71 -0.194 -13.322 -3.978 1.00 70.01 N ATOM 1094 CA PRO A 71 -0.293 -12.291 -5.016 1.00 74.41 C ATOM 1095 C PRO A 71 -1.549 -11.443 -4.868 1.00 65.24 C ATOM 1096 O PRO A 71 -1.572 -10.286 -5.280 1.00 2.11 O ATOM 1097 CB PRO A 71 -0.343 -13.087 -6.326 1.00 13.33 C ATOM 1098 CG PRO A 71 0.204 -14.429 -5.984 1.00 65.25 C ATOM 1099 CD PRO A 71 -0.172 -14.673 -4.552 1.00 33.13 C ATOM 0 HA PRO A 71 0.540 -11.590 -4.964 1.00 74.41 H new ATOM 0 HB2 PRO A 71 -1.363 -13.161 -6.704 1.00 13.33 H new ATOM 0 HB3 PRO A 71 0.251 -12.605 -7.103 1.00 13.33 H new ATOM 0 HG2 PRO A 71 -0.213 -15.198 -6.634 1.00 65.25 H new ATOM 0 HG3 PRO A 71 1.286 -14.455 -6.114 1.00 65.25 H new ATOM 0 HD2 PRO A 71 -1.142 -15.162 -4.468 1.00 33.13 H new ATOM 0 HD3 PRO A 71 0.553 -15.313 -4.049 1.00 33.13 H new ATOM 1107 N GLY A 72 -2.590 -12.024 -4.281 1.00 73.13 N ATOM 1108 CA GLY A 72 -3.831 -11.302 -4.101 1.00 11.32 C ATOM 1109 C GLY A 72 -4.554 -11.693 -2.826 1.00 50.20 C ATOM 1110 O GLY A 72 -5.746 -11.996 -2.849 1.00 44.33 O ATOM 0 H GLY A 72 -2.594 -12.981 -3.928 1.00 73.13 H new ATOM 0 HA2 GLY A 72 -3.625 -10.232 -4.084 1.00 11.32 H new ATOM 0 HA3 GLY A 72 -4.482 -11.488 -4.955 1.00 11.32 H new ATOM 1114 N LYS A 73 -3.833 -11.698 -1.712 1.00 32.45 N ATOM 1115 CA LYS A 73 -4.437 -12.015 -0.420 1.00 13.44 C ATOM 1116 C LYS A 73 -3.737 -11.251 0.702 1.00 55.21 C ATOM 1117 O LYS A 73 -4.237 -10.227 1.158 1.00 65.41 O ATOM 1118 CB LYS A 73 -4.393 -13.520 -0.154 1.00 30.31 C ATOM 1119 CG LYS A 73 -5.107 -13.943 1.120 1.00 2.10 C ATOM 1120 CD LYS A 73 -4.898 -15.421 1.405 1.00 30.14 C ATOM 1121 CE LYS A 73 -5.456 -16.295 0.292 1.00 70.11 C ATOM 1122 NZ LYS A 73 -5.123 -17.726 0.497 1.00 62.21 N ATOM 0 H LYS A 73 -2.836 -11.488 -1.674 1.00 32.45 H new ATOM 0 HA LYS A 73 -5.482 -11.705 -0.448 1.00 13.44 H new ATOM 0 HB2 LYS A 73 -4.841 -14.041 -1.000 1.00 30.31 H new ATOM 0 HB3 LYS A 73 -3.352 -13.839 -0.098 1.00 30.31 H new ATOM 0 HG2 LYS A 73 -4.738 -13.353 1.959 1.00 2.10 H new ATOM 0 HG3 LYS A 73 -6.173 -13.735 1.028 1.00 2.10 H new ATOM 0 HD2 LYS A 73 -3.833 -15.621 1.525 1.00 30.14 H new ATOM 0 HD3 LYS A 73 -5.380 -15.681 2.348 1.00 30.14 H new ATOM 0 HE2 LYS A 73 -6.539 -16.177 0.245 1.00 70.11 H new ATOM 0 HE3 LYS A 73 -5.057 -15.962 -0.666 1.00 70.11 H new ATOM 0 HZ1 LYS A 73 -5.753 -18.316 -0.084 1.00 62.21 H new ATOM 0 HZ2 LYS A 73 -4.136 -17.896 0.218 1.00 62.21 H new ATOM 0 HZ3 LYS A 73 -5.247 -17.971 1.500 1.00 62.21 H new ATOM 1136 N ARG A 74 -2.583 -11.740 1.145 1.00 33.35 N ATOM 1137 CA ARG A 74 -1.803 -11.021 2.144 1.00 71.35 C ATOM 1138 C ARG A 74 -0.328 -11.378 2.049 1.00 31.42 C ATOM 1139 O ARG A 74 0.033 -12.476 1.621 1.00 60.12 O ATOM 1140 CB ARG A 74 -2.301 -11.292 3.574 1.00 31.10 C ATOM 1141 CG ARG A 74 -1.897 -12.645 4.137 1.00 75.54 C ATOM 1142 CD ARG A 74 -2.070 -12.708 5.648 1.00 74.15 C ATOM 1143 NE ARG A 74 -3.434 -12.403 6.068 1.00 60.34 N ATOM 1144 CZ ARG A 74 -3.772 -12.103 7.320 1.00 32.42 C ATOM 1145 NH1 ARG A 74 -2.865 -12.130 8.290 1.00 34.33 N ATOM 1146 NH2 ARG A 74 -5.028 -11.801 7.606 1.00 53.52 N ATOM 0 H ARG A 74 -2.172 -12.620 0.833 1.00 33.35 H new ATOM 0 HA ARG A 74 -1.933 -9.960 1.931 1.00 71.35 H new ATOM 0 HB2 ARG A 74 -1.920 -10.511 4.232 1.00 31.10 H new ATOM 0 HB3 ARG A 74 -3.388 -11.217 3.587 1.00 31.10 H new ATOM 0 HG2 ARG A 74 -2.497 -13.426 3.670 1.00 75.54 H new ATOM 0 HG3 ARG A 74 -0.857 -12.848 3.882 1.00 75.54 H new ATOM 0 HD2 ARG A 74 -1.799 -13.703 6.000 1.00 74.15 H new ATOM 0 HD3 ARG A 74 -1.383 -12.005 6.119 1.00 74.15 H new ATOM 0 HE ARG A 74 -4.170 -12.421 5.362 1.00 60.34 H new ATOM 0 HH11 ARG A 74 -1.900 -12.382 8.079 1.00 34.33 H new ATOM 0 HH12 ARG A 74 -3.134 -11.898 9.246 1.00 34.33 H new ATOM 0 HH21 ARG A 74 -5.733 -11.799 6.869 1.00 53.52 H new ATOM 0 HH22 ARG A 74 -5.292 -11.570 8.564 1.00 53.52 H new ATOM 1160 N ILE A 75 0.513 -10.429 2.430 1.00 11.01 N ATOM 1161 CA ILE A 75 1.947 -10.653 2.532 1.00 20.13 C ATOM 1162 C ILE A 75 2.395 -10.320 3.947 1.00 20.00 C ATOM 1163 O ILE A 75 2.383 -9.157 4.331 1.00 21.23 O ATOM 1164 CB ILE A 75 2.757 -9.792 1.529 1.00 61.44 C ATOM 1165 CG1 ILE A 75 2.379 -10.116 0.078 1.00 62.33 C ATOM 1166 CG2 ILE A 75 4.251 -9.995 1.736 1.00 51.53 C ATOM 1167 CD1 ILE A 75 1.119 -9.427 -0.399 1.00 44.50 C ATOM 0 H ILE A 75 0.221 -9.483 2.677 1.00 11.01 H new ATOM 0 HA ILE A 75 2.137 -11.699 2.292 1.00 20.13 H new ATOM 0 HB ILE A 75 2.510 -8.747 1.718 1.00 61.44 H new ATOM 0 HG12 ILE A 75 3.205 -9.832 -0.574 1.00 62.33 H new ATOM 0 HG13 ILE A 75 2.251 -11.194 -0.021 1.00 62.33 H new ATOM 0 HG21 ILE A 75 4.804 -9.383 1.023 1.00 51.53 H new ATOM 0 HG22 ILE A 75 4.521 -9.703 2.751 1.00 51.53 H new ATOM 0 HG23 ILE A 75 4.500 -11.045 1.582 1.00 51.53 H new ATOM 0 HD11 ILE A 75 0.920 -9.707 -1.433 1.00 44.50 H new ATOM 0 HD12 ILE A 75 0.280 -9.730 0.227 1.00 44.50 H new ATOM 0 HD13 ILE A 75 1.248 -8.347 -0.334 1.00 44.50 H new ATOM 1179 N ALA A 76 2.778 -11.328 4.721 1.00 65.05 N ATOM 1180 CA ALA A 76 3.076 -11.117 6.131 1.00 71.11 C ATOM 1181 C ALA A 76 4.456 -11.627 6.514 1.00 43.04 C ATOM 1182 O ALA A 76 4.901 -12.682 6.052 1.00 63.02 O ATOM 1183 CB ALA A 76 2.010 -11.758 7.000 1.00 71.00 C ATOM 0 H ALA A 76 2.889 -12.290 4.400 1.00 65.05 H new ATOM 0 HA ALA A 76 3.075 -10.041 6.302 1.00 71.11 H new ATOM 0 HB1 ALA A 76 2.248 -11.591 8.050 1.00 71.00 H new ATOM 0 HB2 ALA A 76 1.040 -11.315 6.773 1.00 71.00 H new ATOM 0 HB3 ALA A 76 1.975 -12.829 6.802 1.00 71.00 H new ATOM 1189 N TRP A 77 5.112 -10.875 7.384 1.00 73.52 N ATOM 1190 CA TRP A 77 6.495 -11.133 7.755 1.00 30.11 C ATOM 1191 C TRP A 77 6.608 -12.059 8.952 1.00 3.34 C ATOM 1192 O TRP A 77 6.024 -11.799 9.997 1.00 11.45 O ATOM 1193 CB TRP A 77 7.224 -9.815 8.036 1.00 53.05 C ATOM 1194 CG TRP A 77 6.836 -9.112 9.319 1.00 32.42 C ATOM 1195 CD1 TRP A 77 7.688 -8.752 10.323 1.00 2.55 C ATOM 1196 CD2 TRP A 77 5.521 -8.704 9.750 1.00 52.24 C ATOM 1197 NE1 TRP A 77 6.995 -8.146 11.341 1.00 4.02 N ATOM 1198 CE2 TRP A 77 5.666 -8.105 11.017 1.00 61.23 C ATOM 1199 CE3 TRP A 77 4.239 -8.779 9.195 1.00 0.20 C ATOM 1200 CZ2 TRP A 77 4.585 -7.592 11.730 1.00 23.32 C ATOM 1201 CZ3 TRP A 77 3.167 -8.270 9.904 1.00 62.11 C ATOM 1202 CH2 TRP A 77 3.348 -7.683 11.160 1.00 5.34 C ATOM 0 H TRP A 77 4.701 -10.068 7.853 1.00 73.52 H new ATOM 0 HA TRP A 77 6.966 -11.636 6.911 1.00 30.11 H new ATOM 0 HB2 TRP A 77 8.296 -10.012 8.061 1.00 53.05 H new ATOM 0 HB3 TRP A 77 7.044 -9.136 7.202 1.00 53.05 H new ATOM 0 HD1 TRP A 77 8.755 -8.920 10.317 1.00 2.55 H new ATOM 0 HE1 TRP A 77 7.405 -7.784 12.202 1.00 4.02 H new ATOM 0 HE3 TRP A 77 4.089 -9.229 8.225 1.00 0.20 H new ATOM 0 HZ2 TRP A 77 4.721 -7.138 12.700 1.00 23.32 H new ATOM 0 HZ3 TRP A 77 2.175 -8.327 9.481 1.00 62.11 H new ATOM 0 HH2 TRP A 77 2.491 -7.294 11.690 1.00 5.34 H new ATOM 1213 N ARG A 78 7.355 -13.147 8.757 1.00 73.23 N ATOM 1214 CA ARG A 78 7.712 -14.102 9.831 1.00 11.22 C ATOM 1215 C ARG A 78 8.482 -15.304 9.289 1.00 25.04 C ATOM 1216 O ARG A 78 7.947 -16.051 8.480 1.00 22.42 O ATOM 1217 CB ARG A 78 6.477 -14.638 10.569 1.00 21.34 C ATOM 1218 CG ARG A 78 6.107 -13.849 11.810 1.00 4.02 C ATOM 1219 CD ARG A 78 5.067 -14.576 12.650 1.00 22.42 C ATOM 1220 NE ARG A 78 3.846 -14.855 11.888 1.00 70.44 N ATOM 1221 CZ ARG A 78 2.768 -15.453 12.401 1.00 54.13 C ATOM 1222 NH1 ARG A 78 2.724 -15.744 13.695 1.00 2.14 N ATOM 1223 NH2 ARG A 78 1.723 -15.729 11.626 1.00 65.42 N ATOM 0 H ARG A 78 7.737 -13.400 7.846 1.00 73.23 H new ATOM 0 HA ARG A 78 8.336 -13.535 10.522 1.00 11.22 H new ATOM 0 HB2 ARG A 78 5.629 -14.637 9.884 1.00 21.34 H new ATOM 0 HB3 ARG A 78 6.657 -15.675 10.851 1.00 21.34 H new ATOM 0 HG2 ARG A 78 7.000 -13.673 12.409 1.00 4.02 H new ATOM 0 HG3 ARG A 78 5.721 -12.872 11.519 1.00 4.02 H new ATOM 0 HD2 ARG A 78 5.487 -15.512 13.018 1.00 22.42 H new ATOM 0 HD3 ARG A 78 4.820 -13.973 13.524 1.00 22.42 H new ATOM 0 HE ARG A 78 3.818 -14.576 10.907 1.00 70.44 H new ATOM 0 HH11 ARG A 78 3.513 -15.511 14.297 1.00 2.14 H new ATOM 0 HH12 ARG A 78 1.901 -16.201 14.087 1.00 2.14 H new ATOM 0 HH21 ARG A 78 1.743 -15.484 10.636 1.00 65.42 H new ATOM 0 HH22 ARG A 78 0.901 -16.186 12.022 1.00 65.42 H new ATOM 1237 N SER A 79 9.721 -15.500 9.748 1.00 33.31 N ATOM 1238 CA SER A 79 10.442 -16.756 9.525 1.00 35.14 C ATOM 1239 C SER A 79 11.638 -16.889 10.475 1.00 22.01 C ATOM 1240 O SER A 79 11.761 -17.881 11.195 1.00 63.32 O ATOM 1241 CB SER A 79 10.915 -16.884 8.073 1.00 33.42 C ATOM 1242 OG SER A 79 9.844 -17.192 7.195 1.00 41.21 O ATOM 0 H SER A 79 10.246 -14.804 10.277 1.00 33.31 H new ATOM 0 HA SER A 79 9.740 -17.564 9.732 1.00 35.14 H new ATOM 0 HB2 SER A 79 11.385 -15.951 7.760 1.00 33.42 H new ATOM 0 HB3 SER A 79 11.675 -17.662 8.006 1.00 33.42 H new ATOM 0 HG SER A 79 8.996 -17.143 7.684 1.00 41.21 H new ATOM 1248 N LEU A 80 12.515 -15.888 10.479 1.00 31.01 N ATOM 1249 CA LEU A 80 13.728 -15.946 11.290 1.00 3.14 C ATOM 1250 C LEU A 80 13.592 -15.096 12.547 1.00 75.23 C ATOM 1251 O LEU A 80 12.936 -14.052 12.533 1.00 41.02 O ATOM 1252 CB LEU A 80 14.948 -15.494 10.487 1.00 30.13 C ATOM 1253 CG LEU A 80 15.205 -16.282 9.204 1.00 21.25 C ATOM 1254 CD1 LEU A 80 14.473 -15.663 8.041 1.00 41.35 C ATOM 1255 CD2 LEU A 80 16.678 -16.358 8.904 1.00 52.44 C ATOM 0 H LEU A 80 12.410 -15.032 9.934 1.00 31.01 H new ATOM 0 HA LEU A 80 13.870 -16.985 11.587 1.00 3.14 H new ATOM 0 HB2 LEU A 80 14.826 -14.442 10.231 1.00 30.13 H new ATOM 0 HB3 LEU A 80 15.830 -15.567 11.123 1.00 30.13 H new ATOM 0 HG LEU A 80 14.830 -17.294 9.355 1.00 21.25 H new ATOM 0 HD11 LEU A 80 14.670 -16.240 7.138 1.00 41.35 H new ATOM 0 HD12 LEU A 80 13.402 -15.662 8.244 1.00 41.35 H new ATOM 0 HD13 LEU A 80 14.816 -14.638 7.899 1.00 41.35 H new ATOM 0 HD21 LEU A 80 16.834 -16.924 7.986 1.00 52.44 H new ATOM 0 HD22 LEU A 80 17.077 -15.351 8.781 1.00 52.44 H new ATOM 0 HD23 LEU A 80 17.192 -16.854 9.727 1.00 52.44 H new ATOM 1267 N PRO A 81 14.216 -15.534 13.652 1.00 52.21 N ATOM 1268 CA PRO A 81 14.168 -14.825 14.930 1.00 32.02 C ATOM 1269 C PRO A 81 15.133 -13.642 14.979 1.00 14.54 C ATOM 1270 O PRO A 81 15.010 -12.760 15.829 1.00 42.53 O ATOM 1271 CB PRO A 81 14.593 -15.895 15.928 1.00 61.44 C ATOM 1272 CG PRO A 81 15.519 -16.773 15.160 1.00 14.31 C ATOM 1273 CD PRO A 81 15.009 -16.777 13.745 1.00 21.33 C ATOM 0 HA PRO A 81 13.185 -14.395 15.125 1.00 32.02 H new ATOM 0 HB2 PRO A 81 15.089 -15.456 16.794 1.00 61.44 H new ATOM 0 HB3 PRO A 81 13.734 -16.453 16.301 1.00 61.44 H new ATOM 0 HG2 PRO A 81 16.541 -16.397 15.205 1.00 14.31 H new ATOM 0 HG3 PRO A 81 15.532 -17.782 15.573 1.00 14.31 H new ATOM 0 HD2 PRO A 81 15.827 -16.784 13.025 1.00 21.33 H new ATOM 0 HD3 PRO A 81 14.399 -17.657 13.542 1.00 21.33 H new ATOM 1281 N GLY A 82 16.092 -13.627 14.060 1.00 63.14 N ATOM 1282 CA GLY A 82 17.059 -12.549 14.011 1.00 74.21 C ATOM 1283 C GLY A 82 16.548 -11.353 13.232 1.00 61.20 C ATOM 1284 O GLY A 82 17.315 -10.450 12.893 1.00 71.31 O ATOM 0 H GLY A 82 16.216 -14.345 13.346 1.00 63.14 H new ATOM 0 HA2 GLY A 82 17.307 -12.240 15.026 1.00 74.21 H new ATOM 0 HA3 GLY A 82 17.980 -12.911 13.554 1.00 74.21 H new ATOM 1288 N ALA A 83 15.251 -11.349 12.957 1.00 75.44 N ATOM 1289 CA ALA A 83 14.620 -10.269 12.216 1.00 24.54 C ATOM 1290 C ALA A 83 13.387 -9.768 12.964 1.00 24.35 C ATOM 1291 O ALA A 83 13.203 -10.091 14.139 1.00 53.10 O ATOM 1292 CB ALA A 83 14.249 -10.741 10.817 1.00 51.20 C ATOM 0 H ALA A 83 14.611 -12.091 13.240 1.00 75.44 H new ATOM 0 HA ALA A 83 15.324 -9.442 12.124 1.00 24.54 H new ATOM 0 HB1 ALA A 83 13.777 -9.924 10.271 1.00 51.20 H new ATOM 0 HB2 ALA A 83 15.149 -11.058 10.290 1.00 51.20 H new ATOM 0 HB3 ALA A 83 13.555 -11.579 10.888 1.00 51.20 H new ATOM 1298 N ARG A 84 12.552 -8.991 12.265 1.00 53.11 N ATOM 1299 CA ARG A 84 11.330 -8.415 12.833 1.00 53.34 C ATOM 1300 C ARG A 84 11.659 -7.270 13.792 1.00 15.20 C ATOM 1301 O ARG A 84 12.798 -6.809 13.829 1.00 20.23 O ATOM 1302 CB ARG A 84 10.483 -9.484 13.539 1.00 24.33 C ATOM 1303 CG ARG A 84 9.992 -10.591 12.615 1.00 63.21 C ATOM 1304 CD ARG A 84 9.249 -11.674 13.380 1.00 72.50 C ATOM 1305 NE ARG A 84 10.113 -12.372 14.336 1.00 74.22 N ATOM 1306 CZ ARG A 84 9.881 -13.609 14.785 1.00 24.12 C ATOM 1307 NH1 ARG A 84 8.782 -14.256 14.411 1.00 44.13 N ATOM 1308 NH2 ARG A 84 10.727 -14.186 15.631 1.00 12.21 N ATOM 0 H ARG A 84 12.706 -8.744 11.287 1.00 53.11 H new ATOM 0 HA ARG A 84 10.743 -8.013 12.007 1.00 53.34 H new ATOM 0 HB2 ARG A 84 11.072 -9.928 14.342 1.00 24.33 H new ATOM 0 HB3 ARG A 84 9.622 -9.003 14.004 1.00 24.33 H new ATOM 0 HG2 ARG A 84 9.335 -10.166 11.855 1.00 63.21 H new ATOM 0 HG3 ARG A 84 10.841 -11.032 12.092 1.00 63.21 H new ATOM 0 HD2 ARG A 84 8.408 -11.228 13.912 1.00 72.50 H new ATOM 0 HD3 ARG A 84 8.835 -12.395 12.675 1.00 72.50 H new ATOM 0 HE ARG A 84 10.941 -11.885 14.679 1.00 74.22 H new ATOM 0 HH11 ARG A 84 8.116 -13.808 13.781 1.00 44.13 H new ATOM 0 HH12 ARG A 84 8.605 -15.200 14.754 1.00 44.13 H new ATOM 0 HH21 ARG A 84 11.559 -13.685 15.941 1.00 12.21 H new ATOM 0 HH22 ARG A 84 10.544 -15.130 15.970 1.00 12.21 H new ATOM 1322 N ILE A 85 10.629 -6.811 14.522 1.00 30.51 N ATOM 1323 CA ILE A 85 10.693 -5.724 15.529 1.00 1.34 C ATOM 1324 C ILE A 85 11.136 -4.367 14.954 1.00 64.23 C ATOM 1325 O ILE A 85 10.519 -3.343 15.255 1.00 53.33 O ATOM 1326 CB ILE A 85 11.526 -6.077 16.800 1.00 5.14 C ATOM 1327 CG1 ILE A 85 13.036 -6.063 16.546 1.00 52.40 C ATOM 1328 CG2 ILE A 85 11.098 -7.430 17.343 1.00 5.34 C ATOM 1329 CD1 ILE A 85 13.865 -6.319 17.787 1.00 13.12 C ATOM 0 H ILE A 85 9.690 -7.198 14.428 1.00 30.51 H new ATOM 0 HA ILE A 85 9.655 -5.621 15.846 1.00 1.34 H new ATOM 0 HB ILE A 85 11.324 -5.301 17.538 1.00 5.14 H new ATOM 0 HG12 ILE A 85 13.276 -6.818 15.797 1.00 52.40 H new ATOM 0 HG13 ILE A 85 13.316 -5.097 16.126 1.00 52.40 H new ATOM 0 HG21 ILE A 85 11.685 -7.668 18.230 1.00 5.34 H new ATOM 0 HG22 ILE A 85 10.040 -7.399 17.605 1.00 5.34 H new ATOM 0 HG23 ILE A 85 11.261 -8.195 16.584 1.00 5.34 H new ATOM 0 HD11 ILE A 85 14.924 -6.294 17.529 1.00 13.12 H new ATOM 0 HD12 ILE A 85 13.654 -5.550 18.530 1.00 13.12 H new ATOM 0 HD13 ILE A 85 13.614 -7.298 18.196 1.00 13.12 H new ATOM 1341 N GLU A 86 12.188 -4.342 14.145 1.00 20.10 N ATOM 1342 CA GLU A 86 12.635 -3.103 13.522 1.00 41.52 C ATOM 1343 C GLU A 86 11.751 -2.780 12.323 1.00 12.15 C ATOM 1344 O GLU A 86 11.513 -1.614 12.002 1.00 74.43 O ATOM 1345 CB GLU A 86 14.102 -3.211 13.096 1.00 24.30 C ATOM 1346 CG GLU A 86 14.677 -1.904 12.581 1.00 24.41 C ATOM 1347 CD GLU A 86 16.142 -2.016 12.221 1.00 14.13 C ATOM 1348 OE1 GLU A 86 16.992 -1.852 13.123 1.00 72.13 O ATOM 1349 OE2 GLU A 86 16.448 -2.251 11.037 1.00 35.23 O ATOM 0 H GLU A 86 12.745 -5.162 13.906 1.00 20.10 H new ATOM 0 HA GLU A 86 12.554 -2.295 14.249 1.00 41.52 H new ATOM 0 HB2 GLU A 86 14.695 -3.551 13.945 1.00 24.30 H new ATOM 0 HB3 GLU A 86 14.192 -3.970 12.319 1.00 24.30 H new ATOM 0 HG2 GLU A 86 14.114 -1.584 11.704 1.00 24.41 H new ATOM 0 HG3 GLU A 86 14.551 -1.132 13.340 1.00 24.41 H new ATOM 1356 N ASN A 87 11.255 -3.826 11.679 1.00 32.25 N ATOM 1357 CA ASN A 87 10.331 -3.672 10.567 1.00 34.51 C ATOM 1358 C ASN A 87 9.124 -4.576 10.774 1.00 15.55 C ATOM 1359 O ASN A 87 9.273 -5.741 11.147 1.00 43.31 O ATOM 1360 CB ASN A 87 11.006 -4.005 9.234 1.00 74.44 C ATOM 1361 CG ASN A 87 10.072 -3.795 8.054 1.00 13.11 C ATOM 1362 OD1 ASN A 87 9.192 -2.938 8.091 1.00 63.30 O ATOM 1363 ND2 ASN A 87 10.255 -4.579 7.003 1.00 25.03 N ATOM 0 H ASN A 87 11.479 -4.794 11.909 1.00 32.25 H new ATOM 0 HA ASN A 87 10.009 -2.631 10.533 1.00 34.51 H new ATOM 0 HB2 ASN A 87 11.892 -3.382 9.111 1.00 74.44 H new ATOM 0 HB3 ASN A 87 11.345 -5.041 9.248 1.00 74.44 H new ATOM 0 HD21 ASN A 87 9.654 -4.483 6.185 1.00 25.03 H new ATOM 0 HD22 ASN A 87 10.997 -5.279 7.012 1.00 25.03 H new ATOM 1370 N SER A 88 7.943 -4.025 10.548 1.00 12.11 N ATOM 1371 CA SER A 88 6.697 -4.757 10.705 1.00 40.44 C ATOM 1372 C SER A 88 5.696 -4.283 9.662 1.00 12.15 C ATOM 1373 O SER A 88 5.517 -3.077 9.475 1.00 33.14 O ATOM 1374 CB SER A 88 6.127 -4.542 12.112 1.00 21.14 C ATOM 1375 OG SER A 88 7.063 -4.909 13.112 1.00 25.23 O ATOM 0 H SER A 88 7.821 -3.057 10.250 1.00 12.11 H new ATOM 0 HA SER A 88 6.889 -5.821 10.567 1.00 40.44 H new ATOM 0 HB2 SER A 88 5.850 -3.495 12.238 1.00 21.14 H new ATOM 0 HB3 SER A 88 5.216 -5.129 12.231 1.00 21.14 H new ATOM 0 HG SER A 88 6.671 -4.759 13.998 1.00 25.23 H new ATOM 1381 N GLY A 89 5.066 -5.221 8.966 1.00 74.20 N ATOM 1382 CA GLY A 89 4.071 -4.846 7.991 1.00 33.31 C ATOM 1383 C GLY A 89 3.565 -6.007 7.165 1.00 42.23 C ATOM 1384 O GLY A 89 4.356 -6.755 6.591 1.00 71.15 O ATOM 0 H GLY A 89 5.227 -6.224 9.060 1.00 74.20 H new ATOM 0 HA2 GLY A 89 3.229 -4.382 8.504 1.00 33.31 H new ATOM 0 HA3 GLY A 89 4.493 -4.093 7.325 1.00 33.31 H new ATOM 1388 N GLU A 90 2.249 -6.170 7.123 1.00 32.12 N ATOM 1389 CA GLU A 90 1.631 -7.128 6.224 1.00 4.43 C ATOM 1390 C GLU A 90 0.706 -6.389 5.258 1.00 72.51 C ATOM 1391 O GLU A 90 0.058 -5.409 5.632 1.00 61.14 O ATOM 1392 CB GLU A 90 0.857 -8.221 6.980 1.00 30.23 C ATOM 1393 CG GLU A 90 -0.430 -7.763 7.641 1.00 11.21 C ATOM 1394 CD GLU A 90 -0.201 -7.018 8.943 1.00 34.44 C ATOM 1395 OE1 GLU A 90 0.113 -5.809 8.913 1.00 15.50 O ATOM 1396 OE2 GLU A 90 -0.350 -7.643 10.014 1.00 15.33 O ATOM 0 H GLU A 90 1.591 -5.649 7.703 1.00 32.12 H new ATOM 0 HA GLU A 90 2.423 -7.630 5.669 1.00 4.43 H new ATOM 0 HB2 GLU A 90 0.622 -9.025 6.283 1.00 30.23 H new ATOM 0 HB3 GLU A 90 1.509 -8.642 7.745 1.00 30.23 H new ATOM 0 HG2 GLU A 90 -0.975 -7.118 6.952 1.00 11.21 H new ATOM 0 HG3 GLU A 90 -1.061 -8.631 7.833 1.00 11.21 H new ATOM 1403 N VAL A 91 0.677 -6.831 4.011 1.00 61.43 N ATOM 1404 CA VAL A 91 -0.211 -6.238 3.019 1.00 65.13 C ATOM 1405 C VAL A 91 -1.436 -7.103 2.821 1.00 24.14 C ATOM 1406 O VAL A 91 -1.333 -8.321 2.749 1.00 61.12 O ATOM 1407 CB VAL A 91 0.483 -6.045 1.654 1.00 35.24 C ATOM 1408 CG1 VAL A 91 -0.484 -5.520 0.612 1.00 25.32 C ATOM 1409 CG2 VAL A 91 1.671 -5.115 1.792 1.00 63.12 C ATOM 0 H VAL A 91 1.255 -7.595 3.661 1.00 61.43 H new ATOM 0 HA VAL A 91 -0.497 -5.259 3.403 1.00 65.13 H new ATOM 0 HB VAL A 91 0.837 -7.020 1.318 1.00 35.24 H new ATOM 0 HG11 VAL A 91 0.037 -5.395 -0.337 1.00 25.32 H new ATOM 0 HG12 VAL A 91 -1.303 -6.228 0.486 1.00 25.32 H new ATOM 0 HG13 VAL A 91 -0.882 -4.559 0.937 1.00 25.32 H new ATOM 0 HG21 VAL A 91 2.149 -4.989 0.821 1.00 63.12 H new ATOM 0 HG22 VAL A 91 1.333 -4.146 2.158 1.00 63.12 H new ATOM 0 HG23 VAL A 91 2.386 -5.540 2.496 1.00 63.12 H new ATOM 1419 N LEU A 92 -2.585 -6.465 2.746 1.00 51.14 N ATOM 1420 CA LEU A 92 -3.835 -7.159 2.497 1.00 24.53 C ATOM 1421 C LEU A 92 -4.391 -6.751 1.142 1.00 51.11 C ATOM 1422 O LEU A 92 -4.643 -5.574 0.904 1.00 10.54 O ATOM 1423 CB LEU A 92 -4.879 -6.842 3.584 1.00 24.11 C ATOM 1424 CG LEU A 92 -4.624 -7.425 4.983 1.00 65.41 C ATOM 1425 CD1 LEU A 92 -4.385 -8.923 4.909 1.00 4.42 C ATOM 1426 CD2 LEU A 92 -3.465 -6.720 5.676 1.00 21.30 C ATOM 0 H LEU A 92 -2.681 -5.455 2.855 1.00 51.14 H new ATOM 0 HA LEU A 92 -3.630 -8.229 2.513 1.00 24.53 H new ATOM 0 HB2 LEU A 92 -4.954 -5.759 3.676 1.00 24.11 H new ATOM 0 HB3 LEU A 92 -5.849 -7.201 3.238 1.00 24.11 H new ATOM 0 HG LEU A 92 -5.518 -7.254 5.582 1.00 65.41 H new ATOM 0 HD11 LEU A 92 -4.207 -9.313 5.911 1.00 4.42 H new ATOM 0 HD12 LEU A 92 -5.261 -9.410 4.480 1.00 4.42 H new ATOM 0 HD13 LEU A 92 -3.516 -9.122 4.282 1.00 4.42 H new ATOM 0 HD21 LEU A 92 -3.311 -7.156 6.663 1.00 21.30 H new ATOM 0 HD22 LEU A 92 -2.559 -6.839 5.082 1.00 21.30 H new ATOM 0 HD23 LEU A 92 -3.694 -5.659 5.780 1.00 21.30 H new ATOM 1438 N PHE A 93 -4.568 -7.710 0.252 1.00 54.23 N ATOM 1439 CA PHE A 93 -5.239 -7.445 -1.007 1.00 20.43 C ATOM 1440 C PHE A 93 -6.685 -7.888 -0.898 1.00 54.44 C ATOM 1441 O PHE A 93 -6.984 -9.080 -0.889 1.00 10.21 O ATOM 1442 CB PHE A 93 -4.552 -8.155 -2.175 1.00 24.41 C ATOM 1443 CG PHE A 93 -3.179 -7.626 -2.486 1.00 12.54 C ATOM 1444 CD1 PHE A 93 -2.988 -6.290 -2.799 1.00 5.41 C ATOM 1445 CD2 PHE A 93 -2.079 -8.467 -2.471 1.00 34.43 C ATOM 1446 CE1 PHE A 93 -1.728 -5.804 -3.090 1.00 11.45 C ATOM 1447 CE2 PHE A 93 -0.817 -7.988 -2.765 1.00 32.15 C ATOM 1448 CZ PHE A 93 -0.641 -6.656 -3.073 1.00 55.41 C ATOM 0 H PHE A 93 -4.259 -8.674 0.376 1.00 54.23 H new ATOM 0 HA PHE A 93 -5.191 -6.375 -1.208 1.00 20.43 H new ATOM 0 HB2 PHE A 93 -4.478 -9.219 -1.948 1.00 24.41 H new ATOM 0 HB3 PHE A 93 -5.177 -8.061 -3.063 1.00 24.41 H new ATOM 0 HD1 PHE A 93 -3.835 -5.620 -2.816 1.00 5.41 H new ATOM 0 HD2 PHE A 93 -2.209 -9.511 -2.226 1.00 34.43 H new ATOM 0 HE1 PHE A 93 -1.593 -4.760 -3.330 1.00 11.45 H new ATOM 0 HE2 PHE A 93 0.031 -8.657 -2.754 1.00 32.15 H new ATOM 0 HZ PHE A 93 0.345 -6.279 -3.301 1.00 55.41 H new ATOM 1458 N ARG A 94 -7.573 -6.922 -0.789 1.00 71.23 N ATOM 1459 CA ARG A 94 -8.980 -7.202 -0.581 1.00 4.22 C ATOM 1460 C ARG A 94 -9.753 -6.991 -1.875 1.00 2.14 C ATOM 1461 O ARG A 94 -9.440 -6.083 -2.645 1.00 70.12 O ATOM 1462 CB ARG A 94 -9.528 -6.272 0.505 1.00 32.42 C ATOM 1463 CG ARG A 94 -8.702 -6.252 1.786 1.00 23.31 C ATOM 1464 CD ARG A 94 -9.143 -7.318 2.783 1.00 65.31 C ATOM 1465 NE ARG A 94 -9.039 -8.680 2.255 1.00 51.32 N ATOM 1466 CZ ARG A 94 -9.514 -9.758 2.886 1.00 1.15 C ATOM 1467 NH1 ARG A 94 -10.121 -9.629 4.061 1.00 54.13 N ATOM 1468 NH2 ARG A 94 -9.386 -10.965 2.342 1.00 50.41 N ATOM 0 H ARG A 94 -7.344 -5.929 -0.841 1.00 71.23 H new ATOM 0 HA ARG A 94 -9.096 -8.239 -0.267 1.00 4.22 H new ATOM 0 HB2 ARG A 94 -9.584 -5.259 0.106 1.00 32.42 H new ATOM 0 HB3 ARG A 94 -10.546 -6.575 0.747 1.00 32.42 H new ATOM 0 HG2 ARG A 94 -7.651 -6.403 1.539 1.00 23.31 H new ATOM 0 HG3 ARG A 94 -8.782 -5.269 2.251 1.00 23.31 H new ATOM 0 HD2 ARG A 94 -8.535 -7.237 3.684 1.00 65.31 H new ATOM 0 HD3 ARG A 94 -10.175 -7.127 3.077 1.00 65.31 H new ATOM 0 HE ARG A 94 -8.578 -8.813 1.355 1.00 51.32 H new ATOM 0 HH11 ARG A 94 -10.225 -8.706 4.483 1.00 54.13 H new ATOM 0 HH12 ARG A 94 -10.483 -10.453 4.541 1.00 54.13 H new ATOM 0 HH21 ARG A 94 -8.924 -11.071 1.439 1.00 50.41 H new ATOM 0 HH22 ARG A 94 -9.750 -11.785 2.828 1.00 50.41 H new ATOM 1482 N PRO A 95 -10.767 -7.824 -2.136 1.00 41.43 N ATOM 1483 CA PRO A 95 -11.671 -7.620 -3.261 1.00 64.11 C ATOM 1484 C PRO A 95 -12.628 -6.474 -2.966 1.00 20.01 C ATOM 1485 O PRO A 95 -13.575 -6.629 -2.188 1.00 41.53 O ATOM 1486 CB PRO A 95 -12.435 -8.949 -3.381 1.00 0.41 C ATOM 1487 CG PRO A 95 -11.776 -9.888 -2.420 1.00 42.12 C ATOM 1488 CD PRO A 95 -11.109 -9.033 -1.381 1.00 34.54 C ATOM 0 HA PRO A 95 -11.147 -7.360 -4.181 1.00 64.11 H new ATOM 0 HB2 PRO A 95 -13.489 -8.817 -3.138 1.00 0.41 H new ATOM 0 HB3 PRO A 95 -12.389 -9.336 -4.399 1.00 0.41 H new ATOM 0 HG2 PRO A 95 -12.509 -10.554 -1.963 1.00 42.12 H new ATOM 0 HG3 PRO A 95 -11.048 -10.518 -2.930 1.00 42.12 H new ATOM 0 HD2 PRO A 95 -11.775 -8.815 -0.546 1.00 34.54 H new ATOM 0 HD3 PRO A 95 -10.224 -9.516 -0.965 1.00 34.54 H new ATOM 1496 N ALA A 96 -12.360 -5.322 -3.563 1.00 45.20 N ATOM 1497 CA ALA A 96 -13.125 -4.116 -3.274 1.00 51.32 C ATOM 1498 C ALA A 96 -14.595 -4.304 -3.655 1.00 60.04 C ATOM 1499 O ALA A 96 -14.900 -4.943 -4.664 1.00 62.02 O ATOM 1500 CB ALA A 96 -12.512 -2.925 -3.998 1.00 41.34 C ATOM 0 H ALA A 96 -11.618 -5.196 -4.251 1.00 45.20 H new ATOM 0 HA ALA A 96 -13.087 -3.921 -2.202 1.00 51.32 H new ATOM 0 HB1 ALA A 96 -13.090 -2.028 -3.777 1.00 41.34 H new ATOM 0 HB2 ALA A 96 -11.484 -2.786 -3.664 1.00 41.34 H new ATOM 0 HB3 ALA A 96 -12.523 -3.107 -5.073 1.00 41.34 H new ATOM 1506 N PRO A 97 -15.509 -3.733 -2.847 1.00 31.24 N ATOM 1507 CA PRO A 97 -16.962 -3.954 -2.950 1.00 74.45 C ATOM 1508 C PRO A 97 -17.505 -4.014 -4.378 1.00 70.33 C ATOM 1509 O PRO A 97 -17.352 -3.071 -5.162 1.00 41.25 O ATOM 1510 CB PRO A 97 -17.536 -2.753 -2.211 1.00 23.00 C ATOM 1511 CG PRO A 97 -16.530 -2.452 -1.157 1.00 51.25 C ATOM 1512 CD PRO A 97 -15.186 -2.819 -1.734 1.00 64.01 C ATOM 0 HA PRO A 97 -17.237 -4.926 -2.541 1.00 74.45 H new ATOM 0 HB2 PRO A 97 -17.676 -1.904 -2.880 1.00 23.00 H new ATOM 0 HB3 PRO A 97 -18.510 -2.981 -1.777 1.00 23.00 H new ATOM 0 HG2 PRO A 97 -16.560 -1.398 -0.882 1.00 51.25 H new ATOM 0 HG3 PRO A 97 -16.733 -3.024 -0.252 1.00 51.25 H new ATOM 0 HD2 PRO A 97 -14.649 -1.938 -2.085 1.00 64.01 H new ATOM 0 HD3 PRO A 97 -14.552 -3.304 -0.991 1.00 64.01 H new ATOM 1520 N GLY A 98 -18.105 -5.152 -4.703 1.00 31.01 N ATOM 1521 CA GLY A 98 -18.775 -5.334 -5.971 1.00 31.34 C ATOM 1522 C GLY A 98 -17.834 -5.855 -7.025 1.00 3.15 C ATOM 1523 O GLY A 98 -17.906 -7.017 -7.425 1.00 62.41 O ATOM 0 H GLY A 98 -18.137 -5.969 -4.093 1.00 31.01 H new ATOM 0 HA2 GLY A 98 -19.605 -6.029 -5.848 1.00 31.34 H new ATOM 0 HA3 GLY A 98 -19.200 -4.385 -6.298 1.00 31.34 H new ATOM 1527 N ALA A 99 -16.921 -4.989 -7.417 1.00 74.40 N ATOM 1528 CA ALA A 99 -15.960 -5.260 -8.478 1.00 22.23 C ATOM 1529 C ALA A 99 -15.127 -4.013 -8.742 1.00 62.11 C ATOM 1530 O ALA A 99 -14.600 -3.822 -9.837 1.00 54.23 O ATOM 1531 CB ALA A 99 -16.669 -5.690 -9.756 1.00 55.22 C ATOM 0 H ALA A 99 -16.821 -4.062 -7.004 1.00 74.40 H new ATOM 0 HA ALA A 99 -15.309 -6.074 -8.158 1.00 22.23 H new ATOM 0 HB1 ALA A 99 -15.931 -5.887 -10.533 1.00 55.22 H new ATOM 0 HB2 ALA A 99 -17.245 -6.595 -9.565 1.00 55.22 H new ATOM 0 HB3 ALA A 99 -17.339 -4.896 -10.085 1.00 55.22 H new ATOM 1537 N ARG A 100 -14.988 -3.177 -7.715 1.00 32.13 N ATOM 1538 CA ARG A 100 -14.325 -1.882 -7.861 1.00 13.42 C ATOM 1539 C ARG A 100 -12.839 -2.055 -8.179 1.00 22.21 C ATOM 1540 O ARG A 100 -12.198 -1.165 -8.740 1.00 32.03 O ATOM 1541 CB ARG A 100 -14.501 -1.060 -6.581 1.00 55.41 C ATOM 1542 CG ARG A 100 -14.029 0.382 -6.701 1.00 71.23 C ATOM 1543 CD ARG A 100 -14.206 1.128 -5.391 1.00 34.23 C ATOM 1544 NE ARG A 100 -13.795 2.527 -5.491 1.00 13.44 N ATOM 1545 CZ ARG A 100 -13.671 3.346 -4.446 1.00 64.11 C ATOM 1546 NH1 ARG A 100 -13.919 2.911 -3.216 1.00 51.15 N ATOM 1547 NH2 ARG A 100 -13.311 4.606 -4.629 1.00 63.54 N ATOM 0 H ARG A 100 -15.325 -3.373 -6.773 1.00 32.13 H new ATOM 0 HA ARG A 100 -14.787 -1.353 -8.695 1.00 13.42 H new ATOM 0 HB2 ARG A 100 -15.554 -1.064 -6.301 1.00 55.41 H new ATOM 0 HB3 ARG A 100 -13.954 -1.544 -5.772 1.00 55.41 H new ATOM 0 HG2 ARG A 100 -12.979 0.401 -6.994 1.00 71.23 H new ATOM 0 HG3 ARG A 100 -14.589 0.886 -7.488 1.00 71.23 H new ATOM 0 HD2 ARG A 100 -15.251 1.079 -5.086 1.00 34.23 H new ATOM 0 HD3 ARG A 100 -13.623 0.635 -4.613 1.00 34.23 H new ATOM 0 HE ARG A 100 -13.590 2.900 -6.418 1.00 13.44 H new ATOM 0 HH11 ARG A 100 -14.207 1.944 -3.065 1.00 51.15 H new ATOM 0 HH12 ARG A 100 -13.822 3.544 -2.422 1.00 51.15 H new ATOM 0 HH21 ARG A 100 -13.128 4.952 -5.571 1.00 63.54 H new ATOM 0 HH22 ARG A 100 -13.217 5.231 -3.828 1.00 63.54 H new ATOM 1561 N GLY A 101 -12.299 -3.207 -7.828 1.00 0.11 N ATOM 1562 CA GLY A 101 -10.899 -3.472 -8.062 1.00 23.15 C ATOM 1563 C GLY A 101 -10.271 -4.178 -6.889 1.00 61.03 C ATOM 1564 O GLY A 101 -10.955 -4.894 -6.155 1.00 32.03 O ATOM 0 H GLY A 101 -12.809 -3.969 -7.382 1.00 0.11 H new ATOM 0 HA2 GLY A 101 -10.787 -4.082 -8.958 1.00 23.15 H new ATOM 0 HA3 GLY A 101 -10.375 -2.534 -8.247 1.00 23.15 H new ATOM 1568 N THR A 102 -8.985 -3.968 -6.691 1.00 51.11 N ATOM 1569 CA THR A 102 -8.285 -4.594 -5.591 1.00 43.22 C ATOM 1570 C THR A 102 -7.818 -3.543 -4.598 1.00 12.24 C ATOM 1571 O THR A 102 -7.174 -2.557 -4.972 1.00 25.34 O ATOM 1572 CB THR A 102 -7.087 -5.412 -6.099 1.00 3.42 C ATOM 1573 OG1 THR A 102 -7.513 -6.250 -7.175 1.00 61.22 O ATOM 1574 CG2 THR A 102 -6.497 -6.270 -4.987 1.00 55.12 C ATOM 0 H THR A 102 -8.405 -3.369 -7.278 1.00 51.11 H new ATOM 0 HA THR A 102 -8.975 -5.272 -5.090 1.00 43.22 H new ATOM 0 HB THR A 102 -6.316 -4.722 -6.442 1.00 3.42 H new ATOM 0 HG1 THR A 102 -7.159 -5.903 -8.020 1.00 61.22 H new ATOM 0 HG21 THR A 102 -5.651 -6.838 -5.375 1.00 55.12 H new ATOM 0 HG22 THR A 102 -6.160 -5.629 -4.172 1.00 55.12 H new ATOM 0 HG23 THR A 102 -7.257 -6.958 -4.617 1.00 55.12 H new ATOM 1582 N GLU A 103 -8.170 -3.744 -3.341 1.00 23.21 N ATOM 1583 CA GLU A 103 -7.795 -2.827 -2.285 1.00 35.20 C ATOM 1584 C GLU A 103 -6.531 -3.316 -1.591 1.00 13.11 C ATOM 1585 O GLU A 103 -6.538 -4.347 -0.920 1.00 52.40 O ATOM 1586 CB GLU A 103 -8.939 -2.678 -1.279 1.00 41.42 C ATOM 1587 CG GLU A 103 -8.646 -1.685 -0.169 1.00 11.54 C ATOM 1588 CD GLU A 103 -9.822 -1.485 0.764 1.00 22.55 C ATOM 1589 OE1 GLU A 103 -10.703 -0.655 0.451 1.00 2.31 O ATOM 1590 OE2 GLU A 103 -9.868 -2.144 1.824 1.00 60.23 O ATOM 0 H GLU A 103 -8.721 -4.543 -3.027 1.00 23.21 H new ATOM 0 HA GLU A 103 -7.594 -1.849 -2.723 1.00 35.20 H new ATOM 0 HB2 GLU A 103 -9.839 -2.364 -1.808 1.00 41.42 H new ATOM 0 HB3 GLU A 103 -9.153 -3.651 -0.837 1.00 41.42 H new ATOM 0 HG2 GLU A 103 -7.787 -2.032 0.405 1.00 11.54 H new ATOM 0 HG3 GLU A 103 -8.369 -0.727 -0.609 1.00 11.54 H new ATOM 1597 N VAL A 104 -5.448 -2.582 -1.787 1.00 2.44 N ATOM 1598 CA VAL A 104 -4.176 -2.883 -1.134 1.00 23.23 C ATOM 1599 C VAL A 104 -4.109 -2.185 0.223 1.00 44.03 C ATOM 1600 O VAL A 104 -3.860 -0.980 0.324 1.00 71.53 O ATOM 1601 CB VAL A 104 -2.964 -2.490 -2.025 1.00 3.41 C ATOM 1602 CG1 VAL A 104 -3.097 -1.078 -2.561 1.00 34.12 C ATOM 1603 CG2 VAL A 104 -1.652 -2.655 -1.271 1.00 61.30 C ATOM 0 H VAL A 104 -5.421 -1.766 -2.398 1.00 2.44 H new ATOM 0 HA VAL A 104 -4.121 -3.961 -0.979 1.00 23.23 H new ATOM 0 HB VAL A 104 -2.958 -3.170 -2.877 1.00 3.41 H new ATOM 0 HG11 VAL A 104 -2.231 -0.840 -3.179 1.00 34.12 H new ATOM 0 HG12 VAL A 104 -4.003 -1.001 -3.161 1.00 34.12 H new ATOM 0 HG13 VAL A 104 -3.152 -0.377 -1.729 1.00 34.12 H new ATOM 0 HG21 VAL A 104 -0.822 -2.373 -1.919 1.00 61.30 H new ATOM 0 HG22 VAL A 104 -1.657 -2.016 -0.388 1.00 61.30 H new ATOM 0 HG23 VAL A 104 -1.536 -3.695 -0.965 1.00 61.30 H new ATOM 1613 N VAL A 105 -4.395 -2.952 1.260 1.00 24.15 N ATOM 1614 CA VAL A 105 -4.327 -2.468 2.624 1.00 73.13 C ATOM 1615 C VAL A 105 -2.924 -2.696 3.153 1.00 43.51 C ATOM 1616 O VAL A 105 -2.513 -3.835 3.366 1.00 41.24 O ATOM 1617 CB VAL A 105 -5.337 -3.199 3.538 1.00 65.12 C ATOM 1618 CG1 VAL A 105 -5.394 -2.549 4.912 1.00 31.45 C ATOM 1619 CG2 VAL A 105 -6.718 -3.238 2.900 1.00 13.01 C ATOM 0 H VAL A 105 -4.681 -3.928 1.178 1.00 24.15 H new ATOM 0 HA VAL A 105 -4.576 -1.407 2.626 1.00 73.13 H new ATOM 0 HB VAL A 105 -4.994 -4.226 3.664 1.00 65.12 H new ATOM 0 HG11 VAL A 105 -6.111 -3.081 5.537 1.00 31.45 H new ATOM 0 HG12 VAL A 105 -4.408 -2.591 5.375 1.00 31.45 H new ATOM 0 HG13 VAL A 105 -5.703 -1.509 4.810 1.00 31.45 H new ATOM 0 HG21 VAL A 105 -7.410 -3.757 3.563 1.00 13.01 H new ATOM 0 HG22 VAL A 105 -7.070 -2.220 2.733 1.00 13.01 H new ATOM 0 HG23 VAL A 105 -6.664 -3.764 1.947 1.00 13.01 H new ATOM 1629 N VAL A 106 -2.184 -1.628 3.344 1.00 53.13 N ATOM 1630 CA VAL A 106 -0.807 -1.745 3.779 1.00 1.24 C ATOM 1631 C VAL A 106 -0.626 -1.156 5.176 1.00 12.30 C ATOM 1632 O VAL A 106 -0.921 0.014 5.424 1.00 71.42 O ATOM 1633 CB VAL A 106 0.162 -1.081 2.766 1.00 73.14 C ATOM 1634 CG1 VAL A 106 -0.150 0.399 2.579 1.00 2.44 C ATOM 1635 CG2 VAL A 106 1.609 -1.282 3.191 1.00 73.13 C ATOM 0 H VAL A 106 -2.509 -0.671 3.206 1.00 53.13 H new ATOM 0 HA VAL A 106 -0.561 -2.806 3.824 1.00 1.24 H new ATOM 0 HB VAL A 106 0.017 -1.570 1.803 1.00 73.14 H new ATOM 0 HG11 VAL A 106 0.549 0.831 1.863 1.00 2.44 H new ATOM 0 HG12 VAL A 106 -1.168 0.512 2.206 1.00 2.44 H new ATOM 0 HG13 VAL A 106 -0.055 0.915 3.535 1.00 2.44 H new ATOM 0 HG21 VAL A 106 2.270 -0.808 2.466 1.00 73.13 H new ATOM 0 HG22 VAL A 106 1.766 -0.834 4.172 1.00 73.13 H new ATOM 0 HG23 VAL A 106 1.829 -2.348 3.240 1.00 73.13 H new ATOM 1645 N ARG A 107 -0.182 -1.997 6.097 1.00 5.50 N ATOM 1646 CA ARG A 107 0.116 -1.563 7.448 1.00 61.44 C ATOM 1647 C ARG A 107 1.612 -1.709 7.697 1.00 52.01 C ATOM 1648 O ARG A 107 2.089 -2.798 7.995 1.00 11.30 O ATOM 1649 CB ARG A 107 -0.685 -2.391 8.457 1.00 11.30 C ATOM 1650 CG ARG A 107 -0.548 -1.899 9.887 1.00 54.42 C ATOM 1651 CD ARG A 107 -1.405 -2.704 10.852 1.00 10.11 C ATOM 1652 NE ARG A 107 -0.976 -4.096 10.966 1.00 13.02 N ATOM 1653 CZ ARG A 107 -1.003 -4.788 12.108 1.00 73.02 C ATOM 1654 NH1 ARG A 107 -1.426 -4.213 13.230 1.00 41.21 N ATOM 1655 NH2 ARG A 107 -0.607 -6.052 12.125 1.00 73.41 N ATOM 0 H ARG A 107 -0.020 -2.990 5.929 1.00 5.50 H new ATOM 0 HA ARG A 107 -0.167 -0.518 7.570 1.00 61.44 H new ATOM 0 HB2 ARG A 107 -1.738 -2.375 8.175 1.00 11.30 H new ATOM 0 HB3 ARG A 107 -0.357 -3.429 8.405 1.00 11.30 H new ATOM 0 HG2 ARG A 107 0.496 -1.960 10.193 1.00 54.42 H new ATOM 0 HG3 ARG A 107 -0.834 -0.849 9.938 1.00 54.42 H new ATOM 0 HD2 ARG A 107 -1.372 -2.237 11.836 1.00 10.11 H new ATOM 0 HD3 ARG A 107 -2.443 -2.675 10.520 1.00 10.11 H new ATOM 0 HE ARG A 107 -0.637 -4.566 10.126 1.00 13.02 H new ATOM 0 HH11 ARG A 107 -1.731 -3.240 13.221 1.00 41.21 H new ATOM 0 HH12 ARG A 107 -1.445 -4.745 14.100 1.00 41.21 H new ATOM 0 HH21 ARG A 107 -0.282 -6.496 11.266 1.00 73.41 H new ATOM 0 HH22 ARG A 107 -0.627 -6.581 12.997 1.00 73.41 H new ATOM 1669 N LEU A 108 2.343 -0.614 7.566 1.00 12.11 N ATOM 1670 CA LEU A 108 3.804 -0.659 7.598 1.00 71.13 C ATOM 1671 C LEU A 108 4.364 0.405 8.537 1.00 1.13 C ATOM 1672 O LEU A 108 3.747 1.448 8.745 1.00 25.33 O ATOM 1673 CB LEU A 108 4.381 -0.475 6.180 1.00 54.31 C ATOM 1674 CG LEU A 108 4.255 0.930 5.564 1.00 53.23 C ATOM 1675 CD1 LEU A 108 5.016 0.992 4.250 1.00 3.00 C ATOM 1676 CD2 LEU A 108 2.801 1.319 5.331 1.00 23.43 C ATOM 0 H LEU A 108 1.953 0.319 7.436 1.00 12.11 H new ATOM 0 HA LEU A 108 4.102 -1.638 7.974 1.00 71.13 H new ATOM 0 HB2 LEU A 108 5.437 -0.743 6.204 1.00 54.31 H new ATOM 0 HB3 LEU A 108 3.887 -1.184 5.516 1.00 54.31 H new ATOM 0 HG LEU A 108 4.683 1.638 6.273 1.00 53.23 H new ATOM 0 HD11 LEU A 108 4.921 1.990 3.821 1.00 3.00 H new ATOM 0 HD12 LEU A 108 6.069 0.772 4.428 1.00 3.00 H new ATOM 0 HD13 LEU A 108 4.605 0.259 3.556 1.00 3.00 H new ATOM 0 HD21 LEU A 108 2.757 2.317 4.895 1.00 23.43 H new ATOM 0 HD22 LEU A 108 2.338 0.605 4.650 1.00 23.43 H new ATOM 0 HD23 LEU A 108 2.266 1.314 6.281 1.00 23.43 H new ATOM 1688 N THR A 109 5.528 0.136 9.113 1.00 74.21 N ATOM 1689 CA THR A 109 6.160 1.086 10.014 1.00 13.01 C ATOM 1690 C THR A 109 7.223 1.906 9.279 1.00 61.04 C ATOM 1691 O THR A 109 8.109 1.358 8.623 1.00 72.00 O ATOM 1692 CB THR A 109 6.776 0.387 11.249 1.00 73.01 C ATOM 1693 OG1 THR A 109 7.275 1.363 12.170 1.00 54.02 O ATOM 1694 CG2 THR A 109 7.899 -0.551 10.845 1.00 73.24 C ATOM 0 H THR A 109 6.051 -0.729 8.972 1.00 74.21 H new ATOM 0 HA THR A 109 5.381 1.760 10.371 1.00 13.01 H new ATOM 0 HB THR A 109 5.992 -0.199 11.728 1.00 73.01 H new ATOM 0 HG1 THR A 109 7.661 0.911 12.949 1.00 54.02 H new ATOM 0 HG21 THR A 109 8.312 -1.028 11.734 1.00 73.24 H new ATOM 0 HG22 THR A 109 7.511 -1.315 10.171 1.00 73.24 H new ATOM 0 HG23 THR A 109 8.682 0.015 10.340 1.00 73.24 H new ATOM 1702 N TYR A 110 7.110 3.222 9.403 1.00 0.43 N ATOM 1703 CA TYR A 110 7.981 4.177 8.716 1.00 75.04 C ATOM 1704 C TYR A 110 7.759 5.566 9.291 1.00 23.43 C ATOM 1705 O TYR A 110 6.796 5.789 10.028 1.00 35.34 O ATOM 1706 CB TYR A 110 7.697 4.219 7.206 1.00 50.23 C ATOM 1707 CG TYR A 110 8.516 3.250 6.381 1.00 42.43 C ATOM 1708 CD1 TYR A 110 9.886 3.424 6.238 1.00 73.13 C ATOM 1709 CD2 TYR A 110 7.922 2.171 5.738 1.00 62.15 C ATOM 1710 CE1 TYR A 110 10.641 2.552 5.479 1.00 11.30 C ATOM 1711 CE2 TYR A 110 8.672 1.292 4.980 1.00 50.22 C ATOM 1712 CZ TYR A 110 10.029 1.488 4.854 1.00 73.31 C ATOM 1713 OH TYR A 110 10.781 0.615 4.100 1.00 24.52 O ATOM 0 H TYR A 110 6.403 3.665 9.990 1.00 0.43 H new ATOM 0 HA TYR A 110 9.012 3.855 8.866 1.00 75.04 H new ATOM 0 HB2 TYR A 110 6.640 4.010 7.043 1.00 50.23 H new ATOM 0 HB3 TYR A 110 7.882 5.230 6.843 1.00 50.23 H new ATOM 0 HD1 TYR A 110 10.369 4.256 6.729 1.00 73.13 H new ATOM 0 HD2 TYR A 110 6.857 2.017 5.832 1.00 62.15 H new ATOM 0 HE1 TYR A 110 11.705 2.703 5.376 1.00 11.30 H new ATOM 0 HE2 TYR A 110 8.196 0.456 4.489 1.00 50.22 H new ATOM 0 HH TYR A 110 10.199 -0.080 3.728 1.00 24.52 H new ATOM 1782 N GLY A 115 5.671 18.186 6.309 1.00 62.41 N ATOM 1783 CA GLY A 115 6.250 19.441 5.886 1.00 54.01 C ATOM 1784 C GLY A 115 5.416 20.157 4.841 1.00 2.45 C ATOM 1785 O GLY A 115 4.225 20.402 5.045 1.00 40.55 O ATOM 0 HA2 GLY A 115 6.370 20.090 6.754 1.00 54.01 H new ATOM 0 HA3 GLY A 115 7.247 19.258 5.484 1.00 54.01 H new ATOM 1789 N SER A 116 6.043 20.446 3.706 1.00 11.32 N ATOM 1790 CA SER A 116 5.459 21.271 2.646 1.00 52.15 C ATOM 1791 C SER A 116 4.180 20.681 2.044 1.00 62.52 C ATOM 1792 O SER A 116 3.485 21.357 1.283 1.00 5.34 O ATOM 1793 CB SER A 116 6.498 21.482 1.548 1.00 50.43 C ATOM 1794 OG SER A 116 7.688 22.029 2.089 1.00 5.10 O ATOM 0 H SER A 116 6.982 20.112 3.490 1.00 11.32 H new ATOM 0 HA SER A 116 5.173 22.219 3.101 1.00 52.15 H new ATOM 0 HB2 SER A 116 6.717 20.533 1.059 1.00 50.43 H new ATOM 0 HB3 SER A 116 6.098 22.149 0.784 1.00 50.43 H new ATOM 0 HG SER A 116 8.345 22.157 1.373 1.00 5.10 H new ATOM 1800 N ALA A 117 3.885 19.426 2.372 1.00 15.53 N ATOM 1801 CA ALA A 117 2.704 18.746 1.845 1.00 75.23 C ATOM 1802 C ALA A 117 1.430 19.548 2.109 1.00 44.33 C ATOM 1803 O ALA A 117 0.517 19.564 1.288 1.00 42.45 O ATOM 1804 CB ALA A 117 2.585 17.354 2.449 1.00 11.41 C ATOM 0 H ALA A 117 4.450 18.857 3.003 1.00 15.53 H new ATOM 0 HA ALA A 117 2.824 18.658 0.765 1.00 75.23 H new ATOM 0 HB1 ALA A 117 1.701 16.858 2.048 1.00 11.41 H new ATOM 0 HB2 ALA A 117 3.472 16.772 2.200 1.00 11.41 H new ATOM 0 HB3 ALA A 117 2.496 17.434 3.532 1.00 11.41 H new ATOM 1810 N GLY A 118 1.380 20.223 3.250 1.00 50.51 N ATOM 1811 CA GLY A 118 0.213 21.017 3.588 1.00 24.04 C ATOM 1812 C GLY A 118 0.218 22.381 2.919 1.00 70.21 C ATOM 1813 O GLY A 118 -0.839 22.945 2.636 1.00 32.54 O ATOM 0 H GLY A 118 2.125 20.236 3.947 1.00 50.51 H new ATOM 0 HA2 GLY A 118 -0.687 20.476 3.294 1.00 24.04 H new ATOM 0 HA3 GLY A 118 0.168 21.147 4.669 1.00 24.04 H new ATOM 1817 N ALA A 119 1.412 22.902 2.653 1.00 3.11 N ATOM 1818 CA ALA A 119 1.565 24.235 2.073 1.00 41.24 C ATOM 1819 C ALA A 119 0.947 24.319 0.683 1.00 54.41 C ATOM 1820 O ALA A 119 0.303 25.312 0.343 1.00 35.32 O ATOM 1821 CB ALA A 119 3.036 24.622 2.021 1.00 5.13 C ATOM 0 H ALA A 119 2.293 22.419 2.831 1.00 3.11 H new ATOM 0 HA ALA A 119 1.033 24.938 2.714 1.00 41.24 H new ATOM 0 HB1 ALA A 119 3.135 25.617 1.587 1.00 5.13 H new ATOM 0 HB2 ALA A 119 3.448 24.624 3.030 1.00 5.13 H new ATOM 0 HB3 ALA A 119 3.580 23.903 1.409 1.00 5.13 H new ATOM 1827 N VAL A 120 1.134 23.274 -0.113 1.00 4.02 N ATOM 1828 CA VAL A 120 0.593 23.244 -1.469 1.00 31.51 C ATOM 1829 C VAL A 120 -0.936 23.180 -1.441 1.00 15.21 C ATOM 1830 O VAL A 120 -1.608 23.708 -2.326 1.00 3.24 O ATOM 1831 CB VAL A 120 1.169 22.061 -2.291 1.00 11.40 C ATOM 1832 CG1 VAL A 120 0.796 20.722 -1.674 1.00 5.43 C ATOM 1833 CG2 VAL A 120 0.711 22.128 -3.740 1.00 72.23 C ATOM 0 H VAL A 120 1.654 22.438 0.154 1.00 4.02 H new ATOM 0 HA VAL A 120 0.896 24.168 -1.961 1.00 31.51 H new ATOM 0 HB VAL A 120 2.255 22.148 -2.271 1.00 11.40 H new ATOM 0 HG11 VAL A 120 1.215 19.915 -2.275 1.00 5.43 H new ATOM 0 HG12 VAL A 120 1.194 20.665 -0.661 1.00 5.43 H new ATOM 0 HG13 VAL A 120 -0.289 20.625 -1.643 1.00 5.43 H new ATOM 0 HG21 VAL A 120 1.129 21.287 -4.293 1.00 72.23 H new ATOM 0 HG22 VAL A 120 -0.377 22.083 -3.780 1.00 72.23 H new ATOM 0 HG23 VAL A 120 1.052 23.062 -4.187 1.00 72.23 H new ATOM 1843 N ILE A 121 -1.478 22.559 -0.399 1.00 63.31 N ATOM 1844 CA ILE A 121 -2.922 22.433 -0.250 1.00 62.44 C ATOM 1845 C ILE A 121 -3.536 23.775 0.144 1.00 61.41 C ATOM 1846 O ILE A 121 -4.642 24.114 -0.274 1.00 45.34 O ATOM 1847 CB ILE A 121 -3.293 21.367 0.807 1.00 32.31 C ATOM 1848 CG1 ILE A 121 -2.654 20.015 0.460 1.00 73.33 C ATOM 1849 CG2 ILE A 121 -4.805 21.223 0.925 1.00 40.24 C ATOM 1850 CD1 ILE A 121 -3.077 19.459 -0.885 1.00 60.31 C ATOM 0 H ILE A 121 -0.938 22.135 0.355 1.00 63.31 H new ATOM 0 HA ILE A 121 -3.323 22.117 -1.213 1.00 62.44 H new ATOM 0 HB ILE A 121 -2.904 21.698 1.770 1.00 32.31 H new ATOM 0 HG12 ILE A 121 -1.570 20.124 0.472 1.00 73.33 H new ATOM 0 HG13 ILE A 121 -2.910 19.294 1.236 1.00 73.33 H new ATOM 0 HG21 ILE A 121 -5.041 20.468 1.674 1.00 40.24 H new ATOM 0 HG22 ILE A 121 -5.239 22.177 1.222 1.00 40.24 H new ATOM 0 HG23 ILE A 121 -5.218 20.921 -0.037 1.00 40.24 H new ATOM 0 HD11 ILE A 121 -2.582 18.503 -1.055 1.00 60.31 H new ATOM 0 HD12 ILE A 121 -4.157 19.316 -0.896 1.00 60.31 H new ATOM 0 HD13 ILE A 121 -2.796 20.158 -1.672 1.00 60.31 H new ATOM 1862 N ALA A 122 -2.791 24.548 0.923 1.00 30.51 N ATOM 1863 CA ALA A 122 -3.265 25.844 1.392 1.00 63.33 C ATOM 1864 C ALA A 122 -3.403 26.837 0.239 1.00 20.23 C ATOM 1865 O ALA A 122 -4.116 27.834 0.349 1.00 65.53 O ATOM 1866 CB ALA A 122 -2.331 26.390 2.457 1.00 42.02 C ATOM 0 H ALA A 122 -1.855 24.300 1.244 1.00 30.51 H new ATOM 0 HA ALA A 122 -4.254 25.704 1.828 1.00 63.33 H new ATOM 0 HB1 ALA A 122 -2.696 27.358 2.799 1.00 42.02 H new ATOM 0 HB2 ALA A 122 -2.294 25.698 3.298 1.00 42.02 H new ATOM 0 HB3 ALA A 122 -1.331 26.506 2.039 1.00 42.02 H new ATOM 1872 N ARG A 123 -2.723 26.559 -0.870 1.00 0.01 N ATOM 1873 CA ARG A 123 -2.808 27.413 -2.049 1.00 72.20 C ATOM 1874 C ARG A 123 -4.102 27.169 -2.819 1.00 55.54 C ATOM 1875 O ARG A 123 -4.461 27.951 -3.700 1.00 60.24 O ATOM 1876 CB ARG A 123 -1.601 27.222 -2.973 1.00 4.14 C ATOM 1877 CG ARG A 123 -0.312 27.862 -2.463 1.00 43.01 C ATOM 1878 CD ARG A 123 -0.463 29.369 -2.265 1.00 41.24 C ATOM 1879 NE ARG A 123 -1.203 29.696 -1.042 1.00 32.33 N ATOM 1880 CZ ARG A 123 -1.876 30.830 -0.842 1.00 55.41 C ATOM 1881 NH1 ARG A 123 -1.875 31.787 -1.760 1.00 64.14 N ATOM 1882 NH2 ARG A 123 -2.533 31.016 0.296 1.00 62.54 N ATOM 0 H ARG A 123 -2.109 25.751 -0.976 1.00 0.01 H new ATOM 0 HA ARG A 123 -2.805 28.444 -1.694 1.00 72.20 H new ATOM 0 HB2 ARG A 123 -1.432 26.155 -3.114 1.00 4.14 H new ATOM 0 HB3 ARG A 123 -1.838 27.639 -3.952 1.00 4.14 H new ATOM 0 HG2 ARG A 123 -0.026 27.399 -1.519 1.00 43.01 H new ATOM 0 HG3 ARG A 123 0.494 27.668 -3.170 1.00 43.01 H new ATOM 0 HD2 ARG A 123 0.524 29.829 -2.224 1.00 41.24 H new ATOM 0 HD3 ARG A 123 -0.979 29.797 -3.125 1.00 41.24 H new ATOM 0 HE ARG A 123 -1.203 29.007 -0.290 1.00 32.33 H new ATOM 0 HH11 ARG A 123 -1.356 31.660 -2.629 1.00 64.14 H new ATOM 0 HH12 ARG A 123 -2.393 32.650 -1.597 1.00 64.14 H new ATOM 0 HH21 ARG A 123 -2.522 30.293 1.015 1.00 62.54 H new ATOM 0 HH22 ARG A 123 -3.048 31.882 0.452 1.00 62.54 H new ATOM 1896 N MET A 124 -4.793 26.077 -2.499 1.00 51.12 N ATOM 1897 CA MET A 124 -6.084 25.782 -3.114 1.00 42.02 C ATOM 1898 C MET A 124 -7.060 26.924 -2.849 1.00 2.14 C ATOM 1899 O MET A 124 -7.837 27.305 -3.723 1.00 62.31 O ATOM 1900 CB MET A 124 -6.641 24.458 -2.577 1.00 30.00 C ATOM 1901 CG MET A 124 -8.045 24.130 -3.062 1.00 13.42 C ATOM 1902 SD MET A 124 -8.622 22.520 -2.485 1.00 72.14 S ATOM 1903 CE MET A 124 -8.315 22.656 -0.723 1.00 33.12 C ATOM 0 H MET A 124 -4.481 25.384 -1.819 1.00 51.12 H new ATOM 0 HA MET A 124 -5.949 25.683 -4.191 1.00 42.02 H new ATOM 0 HB2 MET A 124 -5.970 23.650 -2.868 1.00 30.00 H new ATOM 0 HB3 MET A 124 -6.644 24.493 -1.488 1.00 30.00 H new ATOM 0 HG2 MET A 124 -8.733 24.902 -2.719 1.00 13.42 H new ATOM 0 HG3 MET A 124 -8.062 24.149 -4.152 1.00 13.42 H new ATOM 0 HE1 MET A 124 -8.895 21.900 -0.193 1.00 33.12 H new ATOM 0 HE2 MET A 124 -7.254 22.503 -0.526 1.00 33.12 H new ATOM 0 HE3 MET A 124 -8.609 23.647 -0.378 1.00 33.12 H new ATOM 2057 N ARG A 134 -2.501 10.435 3.956 1.00 14.54 N ATOM 2058 CA ARG A 134 -2.020 9.297 3.182 1.00 52.14 C ATOM 2059 C ARG A 134 -1.423 9.772 1.860 1.00 73.02 C ATOM 2060 O ARG A 134 -1.727 9.225 0.796 1.00 5.00 O ATOM 2061 CB ARG A 134 -3.176 8.325 2.925 1.00 70.51 C ATOM 2062 CG ARG A 134 -4.396 8.995 2.312 1.00 34.34 C ATOM 2063 CD ARG A 134 -5.536 8.020 2.095 1.00 52.40 C ATOM 2064 NE ARG A 134 -6.706 8.690 1.529 1.00 72.12 N ATOM 2065 CZ ARG A 134 -7.549 8.133 0.662 1.00 53.11 C ATOM 2066 NH1 ARG A 134 -7.408 6.861 0.303 1.00 54.00 N ATOM 2067 NH2 ARG A 134 -8.550 8.852 0.173 1.00 25.12 N ATOM 0 HA ARG A 134 -1.242 8.784 3.747 1.00 52.14 H new ATOM 0 HB2 ARG A 134 -2.834 7.531 2.262 1.00 70.51 H new ATOM 0 HB3 ARG A 134 -3.462 7.854 3.865 1.00 70.51 H new ATOM 0 HG2 ARG A 134 -4.730 9.803 2.963 1.00 34.34 H new ATOM 0 HG3 ARG A 134 -4.120 9.447 1.359 1.00 34.34 H new ATOM 0 HD2 ARG A 134 -5.213 7.222 1.427 1.00 52.40 H new ATOM 0 HD3 ARG A 134 -5.804 7.554 3.043 1.00 52.40 H new ATOM 0 HE ARG A 134 -6.889 9.651 1.819 1.00 72.12 H new ATOM 0 HH11 ARG A 134 -6.649 6.302 0.692 1.00 54.00 H new ATOM 0 HH12 ARG A 134 -8.059 6.444 -0.362 1.00 54.00 H new ATOM 0 HH21 ARG A 134 -8.669 9.823 0.462 1.00 25.12 H new ATOM 0 HH22 ARG A 134 -9.201 8.434 -0.492 1.00 25.12 H new ATOM 2081 N ASP A 135 -0.554 10.778 1.948 1.00 4.21 N ATOM 2082 CA ASP A 135 0.026 11.428 0.767 1.00 43.51 C ATOM 2083 C ASP A 135 0.592 10.432 -0.239 1.00 74.04 C ATOM 2084 O ASP A 135 0.176 10.408 -1.394 1.00 1.50 O ATOM 2085 CB ASP A 135 1.136 12.396 1.186 1.00 61.01 C ATOM 2086 CG ASP A 135 1.979 12.860 0.007 1.00 61.22 C ATOM 2087 OD1 ASP A 135 1.516 13.724 -0.761 1.00 75.14 O ATOM 2088 OD2 ASP A 135 3.114 12.356 -0.152 1.00 34.31 O ATOM 0 H ASP A 135 -0.231 11.166 2.834 1.00 4.21 H new ATOM 0 HA ASP A 135 -0.788 11.967 0.281 1.00 43.51 H new ATOM 0 HB2 ASP A 135 0.692 13.263 1.675 1.00 61.01 H new ATOM 0 HB3 ASP A 135 1.779 11.911 1.920 1.00 61.01 H new ATOM 2093 N ASP A 136 1.511 9.589 0.207 1.00 62.11 N ATOM 2094 CA ASP A 136 2.226 8.711 -0.709 1.00 13.13 C ATOM 2095 C ASP A 136 1.290 7.685 -1.332 1.00 22.31 C ATOM 2096 O ASP A 136 1.445 7.321 -2.499 1.00 64.43 O ATOM 2097 CB ASP A 136 3.382 8.009 -0.004 1.00 35.34 C ATOM 2098 CG ASP A 136 4.346 7.392 -0.996 1.00 41.51 C ATOM 2099 OD1 ASP A 136 4.977 8.155 -1.763 1.00 53.10 O ATOM 2100 OD2 ASP A 136 4.490 6.157 -1.010 1.00 11.33 O ATOM 0 H ASP A 136 1.778 9.494 1.187 1.00 62.11 H new ATOM 0 HA ASP A 136 2.633 9.333 -1.507 1.00 13.13 H new ATOM 0 HB2 ASP A 136 3.913 8.723 0.625 1.00 35.34 H new ATOM 0 HB3 ASP A 136 2.991 7.234 0.655 1.00 35.34 H new ATOM 2105 N LEU A 137 0.295 7.249 -0.568 1.00 11.41 N ATOM 2106 CA LEU A 137 -0.655 6.263 -1.060 1.00 63.24 C ATOM 2107 C LEU A 137 -1.572 6.865 -2.106 1.00 41.43 C ATOM 2108 O LEU A 137 -1.831 6.254 -3.139 1.00 22.24 O ATOM 2109 CB LEU A 137 -1.478 5.656 0.081 1.00 34.42 C ATOM 2110 CG LEU A 137 -1.058 4.247 0.501 1.00 61.20 C ATOM 2111 CD1 LEU A 137 0.360 4.250 1.049 1.00 72.34 C ATOM 2112 CD2 LEU A 137 -2.026 3.678 1.527 1.00 32.01 C ATOM 0 H LEU A 137 0.127 7.561 0.388 1.00 11.41 H new ATOM 0 HA LEU A 137 -0.078 5.463 -1.523 1.00 63.24 H new ATOM 0 HB2 LEU A 137 -1.409 6.313 0.948 1.00 34.42 H new ATOM 0 HB3 LEU A 137 -2.526 5.632 -0.219 1.00 34.42 H new ATOM 0 HG LEU A 137 -1.083 3.609 -0.382 1.00 61.20 H new ATOM 0 HD11 LEU A 137 0.639 3.238 1.342 1.00 72.34 H new ATOM 0 HD12 LEU A 137 1.046 4.608 0.281 1.00 72.34 H new ATOM 0 HD13 LEU A 137 0.413 4.907 1.917 1.00 72.34 H new ATOM 0 HD21 LEU A 137 -1.707 2.675 1.811 1.00 32.01 H new ATOM 0 HD22 LEU A 137 -2.039 4.318 2.409 1.00 32.01 H new ATOM 0 HD23 LEU A 137 -3.027 3.633 1.097 1.00 32.01 H new ATOM 2124 N MET A 138 -2.055 8.065 -1.836 1.00 30.51 N ATOM 2125 CA MET A 138 -2.854 8.804 -2.801 1.00 63.43 C ATOM 2126 C MET A 138 -2.043 9.049 -4.073 1.00 45.41 C ATOM 2127 O MET A 138 -2.565 8.972 -5.186 1.00 42.34 O ATOM 2128 CB MET A 138 -3.292 10.133 -2.183 1.00 74.11 C ATOM 2129 CG MET A 138 -3.827 11.142 -3.184 1.00 33.34 C ATOM 2130 SD MET A 138 -3.337 12.819 -2.757 1.00 30.00 S ATOM 2131 CE MET A 138 -1.561 12.594 -2.654 1.00 73.10 C ATOM 0 H MET A 138 -1.907 8.552 -0.952 1.00 30.51 H new ATOM 0 HA MET A 138 -3.738 8.223 -3.063 1.00 63.43 H new ATOM 0 HB2 MET A 138 -4.061 9.937 -1.436 1.00 74.11 H new ATOM 0 HB3 MET A 138 -2.444 10.573 -1.659 1.00 74.11 H new ATOM 0 HG2 MET A 138 -3.459 10.897 -4.181 1.00 33.34 H new ATOM 0 HG3 MET A 138 -4.914 11.078 -3.221 1.00 33.34 H new ATOM 0 HE1 MET A 138 -1.059 13.456 -3.093 1.00 73.10 H new ATOM 0 HE2 MET A 138 -1.267 12.496 -1.609 1.00 73.10 H new ATOM 0 HE3 MET A 138 -1.276 11.693 -3.198 1.00 73.10 H new ATOM 2141 N ARG A 139 -0.756 9.319 -3.886 1.00 65.22 N ATOM 2142 CA ARG A 139 0.147 9.620 -4.986 1.00 43.25 C ATOM 2143 C ARG A 139 0.332 8.407 -5.900 1.00 54.14 C ATOM 2144 O ARG A 139 0.098 8.503 -7.104 1.00 14.42 O ATOM 2145 CB ARG A 139 1.490 10.114 -4.424 1.00 71.23 C ATOM 2146 CG ARG A 139 2.485 10.612 -5.471 1.00 55.00 C ATOM 2147 CD ARG A 139 3.327 9.479 -6.041 1.00 44.42 C ATOM 2148 NE ARG A 139 4.008 8.731 -4.985 1.00 60.22 N ATOM 2149 CZ ARG A 139 4.635 7.575 -5.179 1.00 62.24 C ATOM 2150 NH1 ARG A 139 4.700 7.045 -6.395 1.00 23.02 N ATOM 2151 NH2 ARG A 139 5.194 6.952 -4.150 1.00 54.44 N ATOM 0 H ARG A 139 -0.312 9.335 -2.968 1.00 65.22 H new ATOM 0 HA ARG A 139 -0.289 10.411 -5.597 1.00 43.25 H new ATOM 0 HB2 ARG A 139 1.296 10.920 -3.717 1.00 71.23 H new ATOM 0 HB3 ARG A 139 1.952 9.302 -3.863 1.00 71.23 H new ATOM 0 HG2 ARG A 139 1.945 11.104 -6.279 1.00 55.00 H new ATOM 0 HG3 ARG A 139 3.139 11.360 -5.023 1.00 55.00 H new ATOM 0 HD2 ARG A 139 2.690 8.804 -6.613 1.00 44.42 H new ATOM 0 HD3 ARG A 139 4.064 9.885 -6.733 1.00 44.42 H new ATOM 0 HE ARG A 139 4.002 9.120 -4.042 1.00 60.22 H new ATOM 0 HH11 ARG A 139 4.268 7.525 -7.184 1.00 23.02 H new ATOM 0 HH12 ARG A 139 5.182 6.158 -6.540 1.00 23.02 H new ATOM 0 HH21 ARG A 139 5.141 7.360 -3.217 1.00 54.44 H new ATOM 0 HH22 ARG A 139 5.677 6.065 -4.292 1.00 54.44 H new ATOM 2165 N PHE A 140 0.734 7.263 -5.344 1.00 24.31 N ATOM 2166 CA PHE A 140 1.005 6.097 -6.182 1.00 32.33 C ATOM 2167 C PHE A 140 -0.294 5.481 -6.695 1.00 11.31 C ATOM 2168 O PHE A 140 -0.311 4.894 -7.775 1.00 3.34 O ATOM 2169 CB PHE A 140 1.882 5.047 -5.469 1.00 74.31 C ATOM 2170 CG PHE A 140 1.153 4.064 -4.590 1.00 71.03 C ATOM 2171 CD1 PHE A 140 0.584 2.917 -5.130 1.00 5.44 C ATOM 2172 CD2 PHE A 140 1.063 4.268 -3.225 1.00 70.42 C ATOM 2173 CE1 PHE A 140 -0.061 2.001 -4.325 1.00 22.13 C ATOM 2174 CE2 PHE A 140 0.416 3.355 -2.417 1.00 11.14 C ATOM 2175 CZ PHE A 140 -0.146 2.221 -2.966 1.00 32.20 C ATOM 0 H PHE A 140 0.876 7.121 -4.344 1.00 24.31 H new ATOM 0 HA PHE A 140 1.579 6.448 -7.040 1.00 32.33 H new ATOM 0 HB2 PHE A 140 2.433 4.488 -6.226 1.00 74.31 H new ATOM 0 HB3 PHE A 140 2.619 5.571 -4.861 1.00 74.31 H new ATOM 0 HD1 PHE A 140 0.648 2.740 -6.194 1.00 5.44 H new ATOM 0 HD2 PHE A 140 1.504 5.151 -2.787 1.00 70.42 H new ATOM 0 HE1 PHE A 140 -0.498 1.114 -4.758 1.00 22.13 H new ATOM 0 HE2 PHE A 140 0.350 3.529 -1.353 1.00 11.14 H new ATOM 0 HZ PHE A 140 -0.652 1.507 -2.333 1.00 32.20 H new ATOM 2185 N LYS A 141 -1.375 5.609 -5.923 1.00 64.45 N ATOM 2186 CA LYS A 141 -2.692 5.164 -6.376 1.00 31.13 C ATOM 2187 C LYS A 141 -3.031 5.832 -7.698 1.00 64.13 C ATOM 2188 O LYS A 141 -3.465 5.181 -8.645 1.00 70.01 O ATOM 2189 CB LYS A 141 -3.772 5.507 -5.346 1.00 23.14 C ATOM 2190 CG LYS A 141 -5.176 5.094 -5.766 1.00 55.23 C ATOM 2191 CD LYS A 141 -6.208 5.513 -4.734 1.00 5.13 C ATOM 2192 CE LYS A 141 -7.570 4.888 -5.001 1.00 3.00 C ATOM 2193 NZ LYS A 141 -8.224 5.434 -6.218 1.00 71.24 N ATOM 0 H LYS A 141 -1.364 6.015 -4.987 1.00 64.45 H new ATOM 0 HA LYS A 141 -2.661 4.082 -6.502 1.00 31.13 H new ATOM 0 HB2 LYS A 141 -3.528 5.021 -4.402 1.00 23.14 H new ATOM 0 HB3 LYS A 141 -3.759 6.582 -5.164 1.00 23.14 H new ATOM 0 HG2 LYS A 141 -5.417 5.545 -6.728 1.00 55.23 H new ATOM 0 HG3 LYS A 141 -5.214 4.013 -5.903 1.00 55.23 H new ATOM 0 HD2 LYS A 141 -5.865 5.224 -3.741 1.00 5.13 H new ATOM 0 HD3 LYS A 141 -6.301 6.599 -4.735 1.00 5.13 H new ATOM 0 HE2 LYS A 141 -7.455 3.809 -5.108 1.00 3.00 H new ATOM 0 HE3 LYS A 141 -8.217 5.056 -4.140 1.00 3.00 H new ATOM 0 HZ1 LYS A 141 -9.204 5.090 -6.269 1.00 71.24 H new ATOM 0 HZ2 LYS A 141 -8.223 6.473 -6.176 1.00 71.24 H new ATOM 0 HZ3 LYS A 141 -7.703 5.121 -7.062 1.00 71.24 H new ATOM 2207 N ARG A 142 -2.813 7.140 -7.735 1.00 73.31 N ATOM 2208 CA ARG A 142 -3.018 7.936 -8.942 1.00 73.40 C ATOM 2209 C ARG A 142 -2.301 7.328 -10.145 1.00 23.03 C ATOM 2210 O ARG A 142 -2.910 7.099 -11.188 1.00 11.41 O ATOM 2211 CB ARG A 142 -2.520 9.365 -8.716 1.00 14.35 C ATOM 2212 CG ARG A 142 -3.576 10.313 -8.175 1.00 23.12 C ATOM 2213 CD ARG A 142 -4.601 10.649 -9.244 1.00 20.23 C ATOM 2214 NE ARG A 142 -3.964 11.178 -10.450 1.00 34.50 N ATOM 2215 CZ ARG A 142 -4.608 11.435 -11.587 1.00 4.24 C ATOM 2216 NH1 ARG A 142 -5.920 11.249 -11.678 1.00 74.23 N ATOM 2217 NH2 ARG A 142 -3.934 11.879 -12.637 1.00 22.12 N ATOM 0 H ARG A 142 -2.490 7.680 -6.932 1.00 73.31 H new ATOM 0 HA ARG A 142 -4.087 7.947 -9.155 1.00 73.40 H new ATOM 0 HB2 ARG A 142 -1.680 9.340 -8.022 1.00 14.35 H new ATOM 0 HB3 ARG A 142 -2.142 9.760 -9.659 1.00 14.35 H new ATOM 0 HG2 ARG A 142 -4.074 9.859 -7.318 1.00 23.12 H new ATOM 0 HG3 ARG A 142 -3.102 11.228 -7.820 1.00 23.12 H new ATOM 0 HD2 ARG A 142 -5.173 9.756 -9.495 1.00 20.23 H new ATOM 0 HD3 ARG A 142 -5.308 11.381 -8.854 1.00 20.23 H new ATOM 0 HE ARG A 142 -2.961 11.362 -10.418 1.00 34.50 H new ATOM 0 HH11 ARG A 142 -6.444 10.906 -10.872 1.00 74.23 H new ATOM 0 HH12 ARG A 142 -6.404 11.449 -12.553 1.00 74.23 H new ATOM 0 HH21 ARG A 142 -2.926 12.023 -12.573 1.00 22.12 H new ATOM 0 HH22 ARG A 142 -4.423 12.077 -13.510 1.00 22.12 H new ATOM 2231 N GLU A 143 -1.013 7.057 -9.981 1.00 41.32 N ATOM 2232 CA GLU A 143 -0.183 6.553 -11.072 1.00 12.33 C ATOM 2233 C GLU A 143 -0.552 5.115 -11.429 1.00 1.44 C ATOM 2234 O GLU A 143 -0.697 4.770 -12.604 1.00 1.24 O ATOM 2235 CB GLU A 143 1.293 6.638 -10.680 1.00 31.30 C ATOM 2236 CG GLU A 143 1.668 7.979 -10.070 1.00 62.41 C ATOM 2237 CD GLU A 143 3.151 8.126 -9.813 1.00 11.12 C ATOM 2238 OE1 GLU A 143 3.654 7.551 -8.822 1.00 62.43 O ATOM 2239 OE2 GLU A 143 3.818 8.837 -10.593 1.00 0.54 O ATOM 0 H GLU A 143 -0.516 7.178 -9.098 1.00 41.32 H new ATOM 0 HA GLU A 143 -0.360 7.172 -11.952 1.00 12.33 H new ATOM 0 HB2 GLU A 143 1.521 5.845 -9.968 1.00 31.30 H new ATOM 0 HB3 GLU A 143 1.909 6.461 -11.562 1.00 31.30 H new ATOM 0 HG2 GLU A 143 1.341 8.777 -10.736 1.00 62.41 H new ATOM 0 HG3 GLU A 143 1.129 8.107 -9.131 1.00 62.41 H new ATOM 2246 N GLN A 144 -0.719 4.290 -10.404 1.00 21.31 N ATOM 2247 CA GLN A 144 -1.029 2.876 -10.584 1.00 60.25 C ATOM 2248 C GLN A 144 -2.380 2.687 -11.277 1.00 2.21 C ATOM 2249 O GLN A 144 -2.521 1.854 -12.177 1.00 62.10 O ATOM 2250 CB GLN A 144 -1.029 2.175 -9.220 1.00 11.25 C ATOM 2251 CG GLN A 144 -1.425 0.710 -9.276 1.00 53.12 C ATOM 2252 CD GLN A 144 -0.383 -0.162 -9.944 1.00 50.51 C ATOM 2253 OE1 GLN A 144 -0.381 -0.325 -11.160 1.00 54.45 O ATOM 2254 NE2 GLN A 144 0.485 -0.754 -9.145 1.00 15.31 N ATOM 0 H GLN A 144 -0.644 4.579 -9.429 1.00 21.31 H new ATOM 0 HA GLN A 144 -0.265 2.433 -11.222 1.00 60.25 H new ATOM 0 HB2 GLN A 144 -0.034 2.255 -8.782 1.00 11.25 H new ATOM 0 HB3 GLN A 144 -1.713 2.700 -8.554 1.00 11.25 H new ATOM 0 HG2 GLN A 144 -1.598 0.348 -8.263 1.00 53.12 H new ATOM 0 HG3 GLN A 144 -2.368 0.615 -9.814 1.00 53.12 H new ATOM 0 HE21 GLN A 144 0.447 -0.590 -8.139 1.00 15.31 H new ATOM 0 HE22 GLN A 144 1.194 -1.376 -9.534 1.00 15.31 H new ATOM 2263 N GLU A 145 -3.373 3.454 -10.846 1.00 1.31 N ATOM 2264 CA GLU A 145 -4.712 3.358 -11.371 1.00 14.24 C ATOM 2265 C GLU A 145 -4.846 4.028 -12.738 1.00 74.01 C ATOM 2266 O GLU A 145 -5.754 3.707 -13.505 1.00 0.54 O ATOM 2267 CB GLU A 145 -5.656 4.012 -10.379 1.00 13.41 C ATOM 2268 CG GLU A 145 -6.893 3.206 -10.126 1.00 50.45 C ATOM 2269 CD GLU A 145 -7.972 4.004 -9.433 1.00 41.10 C ATOM 2270 OE1 GLU A 145 -7.631 4.958 -8.700 1.00 50.35 O ATOM 2271 OE2 GLU A 145 -9.162 3.691 -9.627 1.00 12.34 O ATOM 0 H GLU A 145 -3.263 4.161 -10.119 1.00 1.31 H new ATOM 0 HA GLU A 145 -4.959 2.305 -11.510 1.00 14.24 H new ATOM 0 HB2 GLU A 145 -5.132 4.168 -9.436 1.00 13.41 H new ATOM 0 HB3 GLU A 145 -5.941 4.996 -10.752 1.00 13.41 H new ATOM 0 HG2 GLU A 145 -7.277 2.829 -11.074 1.00 50.45 H new ATOM 0 HG3 GLU A 145 -6.639 2.339 -9.517 1.00 50.45 H new ATOM 2278 N LEU A 146 -3.949 4.964 -13.031 1.00 0.34 N ATOM 2279 CA LEU A 146 -3.981 5.687 -14.298 1.00 63.25 C ATOM 2280 C LEU A 146 -3.761 4.714 -15.455 1.00 40.13 C ATOM 2281 O LEU A 146 -4.601 4.593 -16.351 1.00 12.03 O ATOM 2282 CB LEU A 146 -2.903 6.786 -14.303 1.00 65.44 C ATOM 2283 CG LEU A 146 -3.169 8.002 -15.204 1.00 52.44 C ATOM 2284 CD1 LEU A 146 -3.153 7.621 -16.675 1.00 63.42 C ATOM 2285 CD2 LEU A 146 -4.495 8.651 -14.838 1.00 72.32 C ATOM 0 H LEU A 146 -3.190 5.240 -12.408 1.00 0.34 H new ATOM 0 HA LEU A 146 -4.956 6.158 -14.419 1.00 63.25 H new ATOM 0 HB2 LEU A 146 -2.772 7.141 -13.281 1.00 65.44 H new ATOM 0 HB3 LEU A 146 -1.958 6.336 -14.607 1.00 65.44 H new ATOM 0 HG LEU A 146 -2.366 8.720 -15.039 1.00 52.44 H new ATOM 0 HD11 LEU A 146 -3.345 8.506 -17.282 1.00 63.42 H new ATOM 0 HD12 LEU A 146 -2.178 7.208 -16.933 1.00 63.42 H new ATOM 0 HD13 LEU A 146 -3.925 6.876 -16.866 1.00 63.42 H new ATOM 0 HD21 LEU A 146 -4.670 9.511 -15.485 1.00 72.32 H new ATOM 0 HD22 LEU A 146 -5.301 7.929 -14.968 1.00 72.32 H new ATOM 0 HD23 LEU A 146 -4.465 8.979 -13.799 1.00 72.32 H new ATOM 2297 N GLY A 147 -2.640 4.013 -15.415 1.00 53.14 N ATOM 2298 CA GLY A 147 -2.320 3.060 -16.455 1.00 51.01 C ATOM 2299 C GLY A 147 -0.842 2.752 -16.486 1.00 24.12 C ATOM 2300 O GLY A 147 -0.015 3.662 -16.408 1.00 21.31 O ATOM 0 H GLY A 147 -1.942 4.088 -14.675 1.00 53.14 H new ATOM 0 HA2 GLY A 147 -2.881 2.140 -16.292 1.00 51.01 H new ATOM 0 HA3 GLY A 147 -2.631 3.456 -17.422 1.00 51.01 H new