USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 67 GLN : amide:sc= -0.784 K(o=-1.4,f=-0.62) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= -0.624 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -0.343 K(o=-0.34,f=-2.2!) USER MOD Set 3.1: A 12 THR OG1 : rot 120:sc= 0.149 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0.574 USER MOD Single : A 6 MET CE :methyl -155:sc= -0.694 (180deg=-2.52!) USER MOD Single : A 7 GLN : amide:sc= -1.6 K(o=-1.6,f=-8.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.812 (180deg=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.54) USER MOD Single : A 46 GLN : amide:sc= -6.48! C(o=-6.5!,f=-4.3!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 58 SER OG : rot -44:sc= 0.603 USER MOD Single : A 61 MET CE :methyl -143:sc= -4.95! (180deg=-7.82!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.886 K(o=-0.89,f=-7!) USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= -0.102 (180deg=-0.67) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 73 HIS : no HD1:sc= -0.23 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N MET A 6 -7.279 7.013 -10.844 1.00 44.34 N ATOM 60 CA MET A 6 -8.077 8.203 -10.573 1.00 50.13 C ATOM 61 C MET A 6 -9.509 8.021 -11.066 1.00 31.20 C ATOM 62 O MET A 6 -9.881 6.945 -11.534 1.00 41.13 O ATOM 63 CB MET A 6 -7.448 9.428 -11.240 1.00 11.21 C ATOM 64 CG MET A 6 -7.524 9.400 -12.758 1.00 1.12 C ATOM 65 SD MET A 6 -5.927 9.071 -13.527 1.00 23.40 S ATOM 66 CE MET A 6 -4.948 10.416 -12.864 1.00 25.45 C ATOM 0 HA MET A 6 -8.099 8.357 -9.494 1.00 50.13 H new ATOM 0 HB2 MET A 6 -7.947 10.326 -10.876 1.00 11.21 H new ATOM 0 HB3 MET A 6 -6.403 9.499 -10.938 1.00 11.21 H new ATOM 0 HG2 MET A 6 -8.237 8.636 -13.068 1.00 1.12 H new ATOM 0 HG3 MET A 6 -7.906 10.356 -13.117 1.00 1.12 H new ATOM 0 HE1 MET A 6 -4.119 10.630 -13.539 1.00 25.45 H new ATOM 0 HE2 MET A 6 -5.571 11.304 -12.763 1.00 25.45 H new ATOM 0 HE3 MET A 6 -4.557 10.134 -11.887 1.00 25.45 H new ATOM 76 N GLN A 7 -10.307 9.078 -10.956 1.00 51.05 N ATOM 77 CA GLN A 7 -11.698 9.033 -11.390 1.00 74.53 C ATOM 78 C GLN A 7 -12.086 10.319 -12.111 1.00 51.42 C ATOM 79 O GLN A 7 -11.481 11.370 -11.895 1.00 65.44 O ATOM 80 CB GLN A 7 -12.621 8.808 -10.191 1.00 74.44 C ATOM 81 CG GLN A 7 -14.015 8.338 -10.576 1.00 60.32 C ATOM 82 CD GLN A 7 -14.338 6.961 -10.029 1.00 55.43 C ATOM 83 OE1 GLN A 7 -14.814 6.088 -10.756 1.00 12.24 O ATOM 84 NE2 GLN A 7 -14.081 6.760 -8.742 1.00 74.02 N ATOM 0 H GLN A 7 -10.014 9.976 -10.570 1.00 51.05 H new ATOM 0 HA GLN A 7 -11.808 8.201 -12.086 1.00 74.53 H new ATOM 0 HB2 GLN A 7 -12.168 8.071 -9.528 1.00 74.44 H new ATOM 0 HB3 GLN A 7 -12.703 9.737 -9.627 1.00 74.44 H new ATOM 0 HG2 GLN A 7 -14.750 9.053 -10.207 1.00 60.32 H new ATOM 0 HG3 GLN A 7 -14.102 8.323 -11.662 1.00 60.32 H new ATOM 0 HE21 GLN A 7 -13.686 7.512 -8.177 1.00 74.02 H new ATOM 0 HE22 GLN A 7 -14.278 5.853 -8.318 1.00 74.02 H new ATOM 93 N ILE A 8 -13.098 10.230 -12.968 1.00 30.13 N ATOM 94 CA ILE A 8 -13.566 11.387 -13.720 1.00 14.55 C ATOM 95 C ILE A 8 -15.090 11.435 -13.762 1.00 41.54 C ATOM 96 O ILE A 8 -15.757 10.404 -13.682 1.00 22.34 O ATOM 97 CB ILE A 8 -13.024 11.380 -15.161 1.00 25.02 C ATOM 98 CG1 ILE A 8 -12.068 10.202 -15.363 1.00 4.42 C ATOM 99 CG2 ILE A 8 -12.325 12.695 -15.471 1.00 1.55 C ATOM 100 CD1 ILE A 8 -11.617 10.029 -16.796 1.00 42.12 C ATOM 0 H ILE A 8 -13.609 9.368 -13.158 1.00 30.13 H new ATOM 0 HA ILE A 8 -13.190 12.271 -13.204 1.00 14.55 H new ATOM 0 HB ILE A 8 -13.862 11.266 -15.848 1.00 25.02 H new ATOM 0 HG12 ILE A 8 -11.192 10.343 -14.729 1.00 4.42 H new ATOM 0 HG13 ILE A 8 -12.558 9.286 -15.032 1.00 4.42 H new ATOM 0 HG21 ILE A 8 -11.947 12.674 -16.493 1.00 1.55 H new ATOM 0 HG22 ILE A 8 -13.032 13.517 -15.362 1.00 1.55 H new ATOM 0 HG23 ILE A 8 -11.494 12.837 -14.780 1.00 1.55 H new ATOM 0 HD11 ILE A 8 -10.942 9.176 -16.865 1.00 42.12 H new ATOM 0 HD12 ILE A 8 -12.485 9.857 -17.432 1.00 42.12 H new ATOM 0 HD13 ILE A 8 -11.098 10.929 -17.125 1.00 42.12 H new ATOM 112 N PHE A 9 -15.635 12.640 -13.892 1.00 11.53 N ATOM 113 CA PHE A 9 -17.081 12.824 -13.946 1.00 62.35 C ATOM 114 C PHE A 9 -17.524 13.234 -15.348 1.00 33.53 C ATOM 115 O PHE A 9 -17.014 14.200 -15.915 1.00 70.40 O ATOM 116 CB PHE A 9 -17.521 13.880 -12.931 1.00 32.34 C ATOM 117 CG PHE A 9 -18.317 13.317 -11.788 1.00 54.00 C ATOM 118 CD1 PHE A 9 -19.464 12.575 -12.024 1.00 3.51 C ATOM 119 CD2 PHE A 9 -17.920 13.530 -10.478 1.00 3.21 C ATOM 120 CE1 PHE A 9 -20.199 12.056 -10.975 1.00 25.12 C ATOM 121 CE2 PHE A 9 -18.650 13.013 -9.425 1.00 31.11 C ATOM 122 CZ PHE A 9 -19.792 12.276 -9.674 1.00 24.15 C ATOM 0 H PHE A 9 -15.097 13.504 -13.962 1.00 11.53 H new ATOM 0 HA PHE A 9 -17.553 11.873 -13.697 1.00 62.35 H new ATOM 0 HB2 PHE A 9 -16.638 14.383 -12.536 1.00 32.34 H new ATOM 0 HB3 PHE A 9 -18.117 14.637 -13.441 1.00 32.34 H new ATOM 0 HD1 PHE A 9 -19.787 12.400 -13.040 1.00 3.51 H new ATOM 0 HD2 PHE A 9 -17.029 14.107 -10.277 1.00 3.21 H new ATOM 0 HE1 PHE A 9 -21.090 11.479 -11.173 1.00 25.12 H new ATOM 0 HE2 PHE A 9 -18.328 13.185 -8.408 1.00 31.11 H new ATOM 0 HZ PHE A 9 -20.365 11.873 -8.852 1.00 24.15 H new ATOM 132 N VAL A 10 -18.478 12.491 -15.901 1.00 12.11 N ATOM 133 CA VAL A 10 -18.992 12.776 -17.235 1.00 42.43 C ATOM 134 C VAL A 10 -20.446 13.232 -17.179 1.00 24.12 C ATOM 135 O VAL A 10 -21.290 12.578 -16.566 1.00 62.44 O ATOM 136 CB VAL A 10 -18.887 11.543 -18.152 1.00 40.45 C ATOM 137 CG1 VAL A 10 -18.920 11.961 -19.615 1.00 5.13 C ATOM 138 CG2 VAL A 10 -17.623 10.755 -17.843 1.00 12.44 C ATOM 0 H VAL A 10 -18.910 11.687 -15.445 1.00 12.11 H new ATOM 0 HA VAL A 10 -18.379 13.578 -17.645 1.00 42.43 H new ATOM 0 HB VAL A 10 -19.745 10.898 -17.963 1.00 40.45 H new ATOM 0 HG11 VAL A 10 -18.845 11.077 -20.248 1.00 5.13 H new ATOM 0 HG12 VAL A 10 -19.856 12.479 -19.825 1.00 5.13 H new ATOM 0 HG13 VAL A 10 -18.083 12.628 -19.822 1.00 5.13 H new ATOM 0 HG21 VAL A 10 -17.565 9.887 -18.500 1.00 12.44 H new ATOM 0 HG22 VAL A 10 -16.751 11.389 -18.002 1.00 12.44 H new ATOM 0 HG23 VAL A 10 -17.646 10.423 -16.805 1.00 12.44 H new ATOM 148 N LYS A 11 -20.732 14.359 -17.822 1.00 72.42 N ATOM 149 CA LYS A 11 -22.085 14.903 -17.848 1.00 24.20 C ATOM 150 C LYS A 11 -22.720 14.717 -19.222 1.00 70.41 C ATOM 151 O LYS A 11 -22.291 15.324 -20.204 1.00 13.01 O ATOM 152 CB LYS A 11 -22.066 16.388 -17.480 1.00 42.21 C ATOM 153 CG LYS A 11 -23.377 17.102 -17.763 1.00 64.51 C ATOM 154 CD LYS A 11 -23.300 18.575 -17.399 1.00 22.44 C ATOM 155 CE LYS A 11 -22.963 19.432 -18.609 1.00 60.42 C ATOM 156 NZ LYS A 11 -23.086 20.885 -18.311 1.00 44.40 N ATOM 0 H LYS A 11 -20.045 14.914 -18.332 1.00 72.42 H new ATOM 0 HA LYS A 11 -22.682 14.361 -17.115 1.00 24.20 H new ATOM 0 HB2 LYS A 11 -21.829 16.488 -16.421 1.00 42.21 H new ATOM 0 HB3 LYS A 11 -21.267 16.881 -18.034 1.00 42.21 H new ATOM 0 HG2 LYS A 11 -23.627 17.000 -18.819 1.00 64.51 H new ATOM 0 HG3 LYS A 11 -24.180 16.628 -17.198 1.00 64.51 H new ATOM 0 HD2 LYS A 11 -24.252 18.897 -16.978 1.00 22.44 H new ATOM 0 HD3 LYS A 11 -22.545 18.721 -16.627 1.00 22.44 H new ATOM 0 HE2 LYS A 11 -21.947 19.213 -18.937 1.00 60.42 H new ATOM 0 HE3 LYS A 11 -23.627 19.173 -19.434 1.00 60.42 H new ATOM 0 HZ1 LYS A 11 -22.848 21.435 -19.161 1.00 44.40 H new ATOM 0 HZ2 LYS A 11 -24.062 21.099 -18.022 1.00 44.40 H new ATOM 0 HZ3 LYS A 11 -22.434 21.138 -17.541 1.00 44.40 H new ATOM 170 N THR A 12 -23.746 13.874 -19.285 1.00 72.45 N ATOM 171 CA THR A 12 -24.441 13.608 -20.539 1.00 22.12 C ATOM 172 C THR A 12 -25.332 14.780 -20.933 1.00 1.22 C ATOM 173 O THR A 12 -25.657 15.632 -20.104 1.00 74.24 O ATOM 174 CB THR A 12 -25.300 12.333 -20.445 1.00 53.15 C ATOM 175 OG1 THR A 12 -26.385 12.539 -19.534 1.00 53.41 O ATOM 176 CG2 THR A 12 -24.464 11.149 -19.986 1.00 25.32 C ATOM 0 H THR A 12 -24.114 13.364 -18.482 1.00 72.45 H new ATOM 0 HA THR A 12 -23.675 13.466 -21.301 1.00 22.12 H new ATOM 0 HB THR A 12 -25.695 12.115 -21.437 1.00 53.15 H new ATOM 0 HG1 THR A 12 -27.236 12.415 -20.005 1.00 53.41 H new ATOM 0 HG21 THR A 12 -25.093 10.261 -19.927 1.00 25.32 H new ATOM 0 HG22 THR A 12 -23.657 10.976 -20.698 1.00 25.32 H new ATOM 0 HG23 THR A 12 -24.042 11.361 -19.003 1.00 25.32 H new ATOM 184 N LEU A 13 -25.725 14.819 -22.201 1.00 64.42 N ATOM 185 CA LEU A 13 -26.580 15.887 -22.705 1.00 51.34 C ATOM 186 C LEU A 13 -27.897 15.939 -21.937 1.00 61.13 C ATOM 187 O LEU A 13 -28.598 16.951 -21.951 1.00 41.35 O ATOM 188 CB LEU A 13 -26.854 15.687 -24.197 1.00 10.30 C ATOM 189 CG LEU A 13 -27.511 16.862 -24.922 1.00 53.11 C ATOM 190 CD1 LEU A 13 -26.677 17.283 -26.122 1.00 0.21 C ATOM 191 CD2 LEU A 13 -28.925 16.499 -25.354 1.00 4.00 C ATOM 0 H LEU A 13 -25.465 14.123 -22.899 1.00 64.42 H new ATOM 0 HA LEU A 13 -26.059 16.834 -22.561 1.00 51.34 H new ATOM 0 HB2 LEU A 13 -25.909 15.463 -24.693 1.00 10.30 H new ATOM 0 HB3 LEU A 13 -27.492 14.811 -24.315 1.00 10.30 H new ATOM 0 HG LEU A 13 -27.568 17.704 -24.232 1.00 53.11 H new ATOM 0 HD11 LEU A 13 -27.160 18.120 -26.625 1.00 0.21 H new ATOM 0 HD12 LEU A 13 -25.684 17.585 -25.787 1.00 0.21 H new ATOM 0 HD13 LEU A 13 -26.588 16.446 -26.815 1.00 0.21 H new ATOM 0 HD21 LEU A 13 -29.377 17.347 -25.868 1.00 4.00 H new ATOM 0 HD22 LEU A 13 -28.891 15.642 -26.027 1.00 4.00 H new ATOM 0 HD23 LEU A 13 -29.520 16.247 -24.476 1.00 4.00 H new ATOM 203 N THR A 14 -28.227 14.841 -21.265 1.00 32.33 N ATOM 204 CA THR A 14 -29.459 14.761 -20.490 1.00 22.45 C ATOM 205 C THR A 14 -29.217 15.136 -19.032 1.00 44.32 C ATOM 206 O THR A 14 -30.064 14.902 -18.171 1.00 62.15 O ATOM 207 CB THR A 14 -30.069 13.348 -20.549 1.00 72.40 C ATOM 208 OG1 THR A 14 -29.196 12.410 -19.910 1.00 70.54 O ATOM 209 CG2 THR A 14 -30.312 12.923 -21.990 1.00 4.15 C ATOM 0 H THR A 14 -27.658 13.995 -21.242 1.00 32.33 H new ATOM 0 HA THR A 14 -30.158 15.470 -20.934 1.00 22.45 H new ATOM 0 HB THR A 14 -31.025 13.367 -20.026 1.00 72.40 H new ATOM 0 HG1 THR A 14 -29.592 11.514 -19.951 1.00 70.54 H new ATOM 0 HG21 THR A 14 -30.743 11.922 -22.006 1.00 4.15 H new ATOM 0 HG22 THR A 14 -31.000 13.622 -22.464 1.00 4.15 H new ATOM 0 HG23 THR A 14 -29.367 12.920 -22.533 1.00 4.15 H new ATOM 217 N GLY A 15 -28.054 15.722 -18.762 1.00 22.11 N ATOM 218 CA GLY A 15 -27.722 16.121 -17.407 1.00 5.21 C ATOM 219 C GLY A 15 -27.572 14.936 -16.473 1.00 43.35 C ATOM 220 O GLY A 15 -28.265 14.842 -15.460 1.00 51.35 O ATOM 0 H GLY A 15 -27.337 15.927 -19.457 1.00 22.11 H new ATOM 0 HA2 GLY A 15 -26.793 16.691 -17.417 1.00 5.21 H new ATOM 0 HA3 GLY A 15 -28.499 16.784 -17.026 1.00 5.21 H new ATOM 224 N LYS A 16 -26.665 14.027 -16.815 1.00 3.31 N ATOM 225 CA LYS A 16 -26.425 12.841 -16.001 1.00 53.40 C ATOM 226 C LYS A 16 -24.968 12.772 -15.556 1.00 0.21 C ATOM 227 O LYS A 16 -24.057 12.710 -16.383 1.00 12.54 O ATOM 228 CB LYS A 16 -26.791 11.578 -16.784 1.00 11.24 C ATOM 229 CG LYS A 16 -27.351 10.465 -15.915 1.00 3.13 C ATOM 230 CD LYS A 16 -26.252 9.544 -15.412 1.00 42.10 C ATOM 231 CE LYS A 16 -25.633 8.743 -16.547 1.00 42.45 C ATOM 232 NZ LYS A 16 -25.993 7.301 -16.470 1.00 32.44 N ATOM 0 H LYS A 16 -26.084 14.089 -17.651 1.00 3.31 H new ATOM 0 HA LYS A 16 -27.054 12.906 -15.113 1.00 53.40 H new ATOM 0 HB2 LYS A 16 -27.524 11.834 -17.549 1.00 11.24 H new ATOM 0 HB3 LYS A 16 -25.905 11.212 -17.302 1.00 11.24 H new ATOM 0 HG2 LYS A 16 -27.882 10.897 -15.067 1.00 3.13 H new ATOM 0 HG3 LYS A 16 -28.078 9.887 -16.486 1.00 3.13 H new ATOM 0 HD2 LYS A 16 -25.480 10.133 -14.918 1.00 42.10 H new ATOM 0 HD3 LYS A 16 -26.660 8.863 -14.665 1.00 42.10 H new ATOM 0 HE2 LYS A 16 -25.966 9.150 -17.502 1.00 42.45 H new ATOM 0 HE3 LYS A 16 -24.549 8.848 -16.516 1.00 42.45 H new ATOM 0 HZ1 LYS A 16 -25.551 6.790 -17.261 1.00 32.44 H new ATOM 0 HZ2 LYS A 16 -25.653 6.906 -15.570 1.00 32.44 H new ATOM 0 HZ3 LYS A 16 -27.026 7.198 -16.525 1.00 32.44 H new ATOM 246 N THR A 17 -24.753 12.781 -14.244 1.00 15.42 N ATOM 247 CA THR A 17 -23.407 12.719 -13.689 1.00 52.40 C ATOM 248 C THR A 17 -22.991 11.279 -13.416 1.00 62.53 C ATOM 249 O THR A 17 -23.624 10.579 -12.625 1.00 5.14 O ATOM 250 CB THR A 17 -23.300 13.529 -12.383 1.00 30.31 C ATOM 251 OG1 THR A 17 -24.603 13.737 -11.827 1.00 72.21 O ATOM 252 CG2 THR A 17 -22.629 14.871 -12.632 1.00 0.14 C ATOM 0 H THR A 17 -25.495 12.831 -13.546 1.00 15.42 H new ATOM 0 HA THR A 17 -22.738 13.153 -14.433 1.00 52.40 H new ATOM 0 HB THR A 17 -22.692 12.962 -11.679 1.00 30.31 H new ATOM 0 HG1 THR A 17 -24.526 14.251 -10.996 1.00 72.21 H new ATOM 0 HG21 THR A 17 -22.565 15.425 -11.695 1.00 0.14 H new ATOM 0 HG22 THR A 17 -21.626 14.709 -13.027 1.00 0.14 H new ATOM 0 HG23 THR A 17 -23.215 15.443 -13.352 1.00 0.14 H new ATOM 260 N ILE A 18 -21.923 10.841 -14.076 1.00 14.22 N ATOM 261 CA ILE A 18 -21.422 9.484 -13.902 1.00 72.52 C ATOM 262 C ILE A 18 -19.938 9.486 -13.551 1.00 53.11 C ATOM 263 O ILE A 18 -19.170 10.305 -14.057 1.00 0.12 O ATOM 264 CB ILE A 18 -21.636 8.638 -15.171 1.00 74.24 C ATOM 265 CG1 ILE A 18 -20.911 7.296 -15.045 1.00 51.41 C ATOM 266 CG2 ILE A 18 -21.153 9.394 -16.400 1.00 2.03 C ATOM 267 CD1 ILE A 18 -21.195 6.346 -16.187 1.00 74.00 C ATOM 0 H ILE A 18 -21.389 11.407 -14.736 1.00 14.22 H new ATOM 0 HA ILE A 18 -21.987 9.043 -13.081 1.00 72.52 H new ATOM 0 HB ILE A 18 -22.703 8.444 -15.284 1.00 74.24 H new ATOM 0 HG12 ILE A 18 -19.837 7.476 -14.991 1.00 51.41 H new ATOM 0 HG13 ILE A 18 -21.202 6.822 -14.108 1.00 51.41 H new ATOM 0 HG21 ILE A 18 -21.311 8.783 -17.289 1.00 2.03 H new ATOM 0 HG22 ILE A 18 -21.711 10.326 -16.497 1.00 2.03 H new ATOM 0 HG23 ILE A 18 -20.091 9.616 -16.297 1.00 2.03 H new ATOM 0 HD11 ILE A 18 -20.648 5.416 -16.031 1.00 74.00 H new ATOM 0 HD12 ILE A 18 -22.264 6.136 -16.228 1.00 74.00 H new ATOM 0 HD13 ILE A 18 -20.878 6.800 -17.126 1.00 74.00 H new ATOM 279 N THR A 19 -19.540 8.563 -12.682 1.00 23.52 N ATOM 280 CA THR A 19 -18.148 8.457 -12.263 1.00 2.21 C ATOM 281 C THR A 19 -17.492 7.209 -12.842 1.00 72.15 C ATOM 282 O THR A 19 -18.113 6.148 -12.916 1.00 23.24 O ATOM 283 CB THR A 19 -18.024 8.423 -10.728 1.00 31.40 C ATOM 284 OG1 THR A 19 -19.325 8.445 -10.131 1.00 34.30 O ATOM 285 CG2 THR A 19 -17.209 9.604 -10.224 1.00 13.30 C ATOM 0 H THR A 19 -20.162 7.877 -12.254 1.00 23.52 H new ATOM 0 HA THR A 19 -17.636 9.342 -12.642 1.00 2.21 H new ATOM 0 HB THR A 19 -17.511 7.503 -10.448 1.00 31.40 H new ATOM 0 HG1 THR A 19 -19.238 8.421 -9.155 1.00 34.30 H new ATOM 0 HG21 THR A 19 -17.135 9.558 -9.137 1.00 13.30 H new ATOM 0 HG22 THR A 19 -16.209 9.568 -10.657 1.00 13.30 H new ATOM 0 HG23 THR A 19 -17.697 10.534 -10.516 1.00 13.30 H new ATOM 293 N ILE A 20 -16.235 7.342 -13.252 1.00 53.53 N ATOM 294 CA ILE A 20 -15.496 6.224 -13.824 1.00 23.14 C ATOM 295 C ILE A 20 -14.024 6.279 -13.428 1.00 70.32 C ATOM 296 O ILE A 20 -13.380 7.323 -13.536 1.00 71.51 O ATOM 297 CB ILE A 20 -15.603 6.204 -15.360 1.00 4.41 C ATOM 298 CG1 ILE A 20 -15.662 7.632 -15.907 1.00 42.10 C ATOM 299 CG2 ILE A 20 -16.827 5.413 -15.796 1.00 3.23 C ATOM 300 CD1 ILE A 20 -15.011 7.787 -17.264 1.00 34.41 C ATOM 0 H ILE A 20 -15.707 8.213 -13.199 1.00 53.53 H new ATOM 0 HA ILE A 20 -15.944 5.313 -13.426 1.00 23.14 H new ATOM 0 HB ILE A 20 -14.717 5.716 -15.765 1.00 4.41 H new ATOM 0 HG12 ILE A 20 -16.704 7.943 -15.975 1.00 42.10 H new ATOM 0 HG13 ILE A 20 -15.174 8.304 -15.200 1.00 42.10 H new ATOM 0 HG21 ILE A 20 -16.888 5.408 -16.884 1.00 3.23 H new ATOM 0 HG22 ILE A 20 -16.747 4.389 -15.433 1.00 3.23 H new ATOM 0 HG23 ILE A 20 -17.724 5.875 -15.384 1.00 3.23 H new ATOM 0 HD11 ILE A 20 -15.090 8.824 -17.589 1.00 34.41 H new ATOM 0 HD12 ILE A 20 -13.960 7.507 -17.197 1.00 34.41 H new ATOM 0 HD13 ILE A 20 -15.513 7.141 -17.984 1.00 34.41 H new ATOM 312 N ASP A 21 -13.497 5.148 -12.972 1.00 34.23 N ATOM 313 CA ASP A 21 -12.100 5.066 -12.563 1.00 30.53 C ATOM 314 C ASP A 21 -11.193 4.839 -13.768 1.00 74.44 C ATOM 315 O ASP A 21 -11.410 3.918 -14.557 1.00 11.31 O ATOM 316 CB ASP A 21 -11.909 3.939 -11.546 1.00 75.54 C ATOM 317 CG ASP A 21 -12.341 2.590 -12.089 1.00 15.40 C ATOM 318 OD1 ASP A 21 -13.563 2.339 -12.147 1.00 70.42 O ATOM 319 OD2 ASP A 21 -11.458 1.787 -12.455 1.00 20.23 O ATOM 0 H ASP A 21 -14.016 4.275 -12.876 1.00 34.23 H new ATOM 0 HA ASP A 21 -11.827 6.014 -12.099 1.00 30.53 H new ATOM 0 HB2 ASP A 21 -10.860 3.891 -11.254 1.00 75.54 H new ATOM 0 HB3 ASP A 21 -12.480 4.165 -10.646 1.00 75.54 H new ATOM 324 N VAL A 22 -10.177 5.685 -13.906 1.00 74.40 N ATOM 325 CA VAL A 22 -9.238 5.577 -15.015 1.00 64.35 C ATOM 326 C VAL A 22 -7.818 5.908 -14.568 1.00 15.32 C ATOM 327 O VAL A 22 -7.613 6.491 -13.503 1.00 44.32 O ATOM 328 CB VAL A 22 -9.629 6.511 -16.176 1.00 35.41 C ATOM 329 CG1 VAL A 22 -11.109 6.855 -16.108 1.00 35.01 C ATOM 330 CG2 VAL A 22 -8.779 7.772 -16.155 1.00 62.50 C ATOM 0 H VAL A 22 -9.984 6.453 -13.263 1.00 74.40 H new ATOM 0 HA VAL A 22 -9.276 4.544 -15.361 1.00 64.35 H new ATOM 0 HB VAL A 22 -9.443 5.991 -17.116 1.00 35.41 H new ATOM 0 HG11 VAL A 22 -11.367 7.515 -16.936 1.00 35.01 H new ATOM 0 HG12 VAL A 22 -11.699 5.941 -16.176 1.00 35.01 H new ATOM 0 HG13 VAL A 22 -11.323 7.356 -15.164 1.00 35.01 H new ATOM 0 HG21 VAL A 22 -9.069 8.420 -16.982 1.00 62.50 H new ATOM 0 HG22 VAL A 22 -8.931 8.297 -15.212 1.00 62.50 H new ATOM 0 HG23 VAL A 22 -7.727 7.504 -16.256 1.00 62.50 H new ATOM 340 N ASP A 23 -6.843 5.533 -15.388 1.00 2.53 N ATOM 341 CA ASP A 23 -5.442 5.792 -15.077 1.00 44.34 C ATOM 342 C ASP A 23 -4.826 6.744 -16.098 1.00 41.31 C ATOM 343 O ASP A 23 -5.266 6.810 -17.246 1.00 72.33 O ATOM 344 CB ASP A 23 -4.654 4.482 -15.044 1.00 21.31 C ATOM 345 CG ASP A 23 -5.463 3.335 -14.470 1.00 64.23 C ATOM 346 OD1 ASP A 23 -6.329 2.800 -15.193 1.00 72.52 O ATOM 347 OD2 ASP A 23 -5.228 2.972 -13.299 1.00 33.22 O ATOM 0 H ASP A 23 -6.997 5.049 -16.273 1.00 2.53 H new ATOM 0 HA ASP A 23 -5.394 6.261 -14.094 1.00 44.34 H new ATOM 0 HB2 ASP A 23 -4.335 4.228 -16.055 1.00 21.31 H new ATOM 0 HB3 ASP A 23 -3.751 4.619 -14.449 1.00 21.31 H new ATOM 352 N HIS A 24 -3.805 7.482 -15.672 1.00 35.14 N ATOM 353 CA HIS A 24 -3.129 8.431 -16.549 1.00 13.24 C ATOM 354 C HIS A 24 -2.514 7.719 -17.749 1.00 23.30 C ATOM 355 O HIS A 24 -2.157 8.351 -18.742 1.00 43.24 O ATOM 356 CB HIS A 24 -2.046 9.187 -15.778 1.00 62.35 C ATOM 357 CG HIS A 24 -0.902 8.321 -15.349 1.00 62.41 C ATOM 358 ND1 HIS A 24 -0.802 7.777 -14.086 1.00 33.31 N ATOM 359 CD2 HIS A 24 0.195 7.903 -16.024 1.00 52.51 C ATOM 360 CE1 HIS A 24 0.307 7.064 -14.002 1.00 12.01 C ATOM 361 NE2 HIS A 24 0.930 7.124 -15.165 1.00 11.30 N ATOM 0 H HIS A 24 -3.428 7.441 -14.725 1.00 35.14 H new ATOM 0 HA HIS A 24 -3.869 9.143 -16.913 1.00 13.24 H new ATOM 0 HB2 HIS A 24 -1.665 9.996 -16.402 1.00 62.35 H new ATOM 0 HB3 HIS A 24 -2.493 9.647 -14.897 1.00 62.35 H new ATOM 0 HD2 HIS A 24 0.445 8.139 -17.048 1.00 52.51 H new ATOM 0 HE1 HIS A 24 0.646 6.524 -13.131 1.00 12.01 H new ATOM 0 HE2 HIS A 24 1.814 6.666 -15.389 1.00 11.30 H new ATOM 369 N ALA A 25 -2.392 6.399 -17.649 1.00 50.02 N ATOM 370 CA ALA A 25 -1.821 5.601 -18.727 1.00 21.21 C ATOM 371 C ALA A 25 -2.886 5.212 -19.746 1.00 54.43 C ATOM 372 O ALA A 25 -2.627 4.431 -20.662 1.00 54.52 O ATOM 373 CB ALA A 25 -1.148 4.358 -18.164 1.00 35.44 C ATOM 0 H ALA A 25 -2.681 5.860 -16.833 1.00 50.02 H new ATOM 0 HA ALA A 25 -1.072 6.207 -19.237 1.00 21.21 H new ATOM 0 HB1 ALA A 25 -0.726 3.771 -18.980 1.00 35.44 H new ATOM 0 HB2 ALA A 25 -0.352 4.653 -17.480 1.00 35.44 H new ATOM 0 HB3 ALA A 25 -1.883 3.758 -17.628 1.00 35.44 H new ATOM 379 N ASP A 26 -4.085 5.761 -19.581 1.00 44.50 N ATOM 380 CA ASP A 26 -5.190 5.472 -20.488 1.00 2.54 C ATOM 381 C ASP A 26 -5.366 6.595 -21.505 1.00 43.23 C ATOM 382 O ASP A 26 -4.500 7.459 -21.650 1.00 23.12 O ATOM 383 CB ASP A 26 -6.485 5.274 -19.699 1.00 55.24 C ATOM 384 CG ASP A 26 -6.343 4.238 -18.602 1.00 4.44 C ATOM 385 OD1 ASP A 26 -5.321 3.520 -18.592 1.00 44.42 O ATOM 386 OD2 ASP A 26 -7.252 4.146 -17.751 1.00 52.43 O ATOM 0 H ASP A 26 -4.316 6.409 -18.828 1.00 44.50 H new ATOM 0 HA ASP A 26 -4.956 4.553 -21.026 1.00 2.54 H new ATOM 0 HB2 ASP A 26 -6.788 6.224 -19.260 1.00 55.24 H new ATOM 0 HB3 ASP A 26 -7.279 4.970 -20.381 1.00 55.24 H new ATOM 391 N THR A 27 -6.493 6.577 -22.211 1.00 25.25 N ATOM 392 CA THR A 27 -6.781 7.591 -23.216 1.00 53.13 C ATOM 393 C THR A 27 -8.276 7.879 -23.293 1.00 53.32 C ATOM 394 O THR A 27 -9.092 7.126 -22.762 1.00 31.12 O ATOM 395 CB THR A 27 -6.281 7.161 -24.608 1.00 62.21 C ATOM 396 OG1 THR A 27 -6.262 5.732 -24.702 1.00 5.05 O ATOM 397 CG2 THR A 27 -4.888 7.710 -24.876 1.00 41.40 C ATOM 0 H THR A 27 -7.221 5.870 -22.104 1.00 25.25 H new ATOM 0 HA THR A 27 -6.254 8.495 -22.912 1.00 53.13 H new ATOM 0 HB THR A 27 -6.964 7.565 -25.356 1.00 62.21 H new ATOM 0 HG1 THR A 27 -5.945 5.467 -25.590 1.00 5.05 H new ATOM 0 HG21 THR A 27 -4.556 7.393 -25.865 1.00 41.40 H new ATOM 0 HG22 THR A 27 -4.912 8.799 -24.833 1.00 41.40 H new ATOM 0 HG23 THR A 27 -4.197 7.332 -24.123 1.00 41.40 H new ATOM 405 N VAL A 28 -8.630 8.974 -23.959 1.00 2.33 N ATOM 406 CA VAL A 28 -10.028 9.361 -24.107 1.00 3.13 C ATOM 407 C VAL A 28 -10.843 8.241 -24.743 1.00 53.44 C ATOM 408 O VAL A 28 -11.907 7.874 -24.246 1.00 61.03 O ATOM 409 CB VAL A 28 -10.170 10.635 -24.961 1.00 73.31 C ATOM 410 CG1 VAL A 28 -11.591 11.172 -24.886 1.00 12.23 C ATOM 411 CG2 VAL A 28 -9.168 11.689 -24.516 1.00 13.21 C ATOM 0 H VAL A 28 -7.967 9.609 -24.405 1.00 2.33 H new ATOM 0 HA VAL A 28 -10.410 9.560 -23.106 1.00 3.13 H new ATOM 0 HB VAL A 28 -9.958 10.381 -26.000 1.00 73.31 H new ATOM 0 HG11 VAL A 28 -11.672 12.072 -25.495 1.00 12.23 H new ATOM 0 HG12 VAL A 28 -12.285 10.418 -25.258 1.00 12.23 H new ATOM 0 HG13 VAL A 28 -11.835 11.411 -23.851 1.00 12.23 H new ATOM 0 HG21 VAL A 28 -9.283 12.582 -25.130 1.00 13.21 H new ATOM 0 HG22 VAL A 28 -9.346 11.942 -23.471 1.00 13.21 H new ATOM 0 HG23 VAL A 28 -8.156 11.299 -24.628 1.00 13.21 H new ATOM 421 N GLY A 29 -10.336 7.701 -25.848 1.00 13.53 N ATOM 422 CA GLY A 29 -11.030 6.628 -26.535 1.00 14.11 C ATOM 423 C GLY A 29 -11.441 5.510 -25.598 1.00 32.14 C ATOM 424 O GLY A 29 -12.595 5.082 -25.599 1.00 12.52 O ATOM 0 H GLY A 29 -9.457 7.988 -26.279 1.00 13.53 H new ATOM 0 HA2 GLY A 29 -11.916 7.029 -27.027 1.00 14.11 H new ATOM 0 HA3 GLY A 29 -10.386 6.225 -27.316 1.00 14.11 H new ATOM 428 N ALA A 30 -10.494 5.034 -24.796 1.00 60.42 N ATOM 429 CA ALA A 30 -10.764 3.958 -23.850 1.00 4.53 C ATOM 430 C ALA A 30 -11.844 4.363 -22.853 1.00 32.04 C ATOM 431 O ALA A 30 -12.723 3.568 -22.517 1.00 44.34 O ATOM 432 CB ALA A 30 -9.488 3.567 -23.119 1.00 31.25 C ATOM 0 H ALA A 30 -9.533 5.376 -24.783 1.00 60.42 H new ATOM 0 HA ALA A 30 -11.128 3.097 -24.410 1.00 4.53 H new ATOM 0 HB1 ALA A 30 -9.704 2.763 -22.416 1.00 31.25 H new ATOM 0 HB2 ALA A 30 -8.744 3.229 -23.841 1.00 31.25 H new ATOM 0 HB3 ALA A 30 -9.101 4.429 -22.576 1.00 31.25 H new ATOM 438 N VAL A 31 -11.773 5.604 -22.381 1.00 32.31 N ATOM 439 CA VAL A 31 -12.746 6.114 -21.422 1.00 62.11 C ATOM 440 C VAL A 31 -14.153 6.103 -22.008 1.00 72.31 C ATOM 441 O VAL A 31 -15.113 5.719 -21.340 1.00 33.33 O ATOM 442 CB VAL A 31 -12.398 7.547 -20.978 1.00 42.22 C ATOM 443 CG1 VAL A 31 -13.459 8.085 -20.030 1.00 43.22 C ATOM 444 CG2 VAL A 31 -11.023 7.584 -20.329 1.00 4.30 C ATOM 0 H VAL A 31 -11.052 6.274 -22.647 1.00 32.31 H new ATOM 0 HA VAL A 31 -12.712 5.454 -20.555 1.00 62.11 H new ATOM 0 HB VAL A 31 -12.376 8.187 -21.860 1.00 42.22 H new ATOM 0 HG11 VAL A 31 -13.196 9.098 -19.727 1.00 43.22 H new ATOM 0 HG12 VAL A 31 -14.425 8.096 -20.534 1.00 43.22 H new ATOM 0 HG13 VAL A 31 -13.517 7.446 -19.149 1.00 43.22 H new ATOM 0 HG21 VAL A 31 -10.793 8.604 -20.021 1.00 4.30 H new ATOM 0 HG22 VAL A 31 -11.015 6.931 -19.456 1.00 4.30 H new ATOM 0 HG23 VAL A 31 -10.274 7.243 -21.044 1.00 4.30 H new ATOM 454 N LYS A 32 -14.269 6.526 -23.262 1.00 73.02 N ATOM 455 CA LYS A 32 -15.559 6.564 -23.941 1.00 71.42 C ATOM 456 C LYS A 32 -16.227 5.192 -23.918 1.00 4.34 C ATOM 457 O LYS A 32 -17.427 5.080 -23.669 1.00 43.15 O ATOM 458 CB LYS A 32 -15.384 7.032 -25.387 1.00 43.44 C ATOM 459 CG LYS A 32 -16.056 8.362 -25.682 1.00 12.25 C ATOM 460 CD LYS A 32 -15.045 9.494 -25.758 1.00 21.31 C ATOM 461 CE LYS A 32 -14.614 9.760 -27.192 1.00 52.40 C ATOM 462 NZ LYS A 32 -14.191 8.512 -27.885 1.00 52.23 N ATOM 0 H LYS A 32 -13.485 6.848 -23.829 1.00 73.02 H new ATOM 0 HA LYS A 32 -16.199 7.270 -23.411 1.00 71.42 H new ATOM 0 HB2 LYS A 32 -14.320 7.116 -25.607 1.00 43.44 H new ATOM 0 HB3 LYS A 32 -15.789 6.274 -26.057 1.00 43.44 H new ATOM 0 HG2 LYS A 32 -16.599 8.295 -26.624 1.00 12.25 H new ATOM 0 HG3 LYS A 32 -16.790 8.580 -24.906 1.00 12.25 H new ATOM 0 HD2 LYS A 32 -15.478 10.399 -25.333 1.00 21.31 H new ATOM 0 HD3 LYS A 32 -14.172 9.245 -25.155 1.00 21.31 H new ATOM 0 HE2 LYS A 32 -15.438 10.218 -27.740 1.00 52.40 H new ATOM 0 HE3 LYS A 32 -13.791 10.475 -27.197 1.00 52.40 H new ATOM 0 HZ1 LYS A 32 -13.702 8.755 -28.770 1.00 52.23 H new ATOM 0 HZ2 LYS A 32 -13.547 7.975 -27.270 1.00 52.23 H new ATOM 0 HZ3 LYS A 32 -15.028 7.933 -28.099 1.00 52.23 H new ATOM 476 N ALA A 33 -15.441 4.152 -24.176 1.00 2.20 N ATOM 477 CA ALA A 33 -15.955 2.788 -24.181 1.00 15.53 C ATOM 478 C ALA A 33 -16.452 2.384 -22.797 1.00 10.33 C ATOM 479 O ALA A 33 -17.466 1.698 -22.665 1.00 41.31 O ATOM 480 CB ALA A 33 -14.884 1.822 -24.662 1.00 61.42 C ATOM 0 H ALA A 33 -14.445 4.228 -24.384 1.00 2.20 H new ATOM 0 HA ALA A 33 -16.800 2.747 -24.868 1.00 15.53 H new ATOM 0 HB1 ALA A 33 -15.282 0.807 -24.660 1.00 61.42 H new ATOM 0 HB2 ALA A 33 -14.579 2.091 -25.673 1.00 61.42 H new ATOM 0 HB3 ALA A 33 -14.022 1.874 -23.997 1.00 61.42 H new ATOM 486 N LYS A 34 -15.731 2.813 -21.766 1.00 52.01 N ATOM 487 CA LYS A 34 -16.098 2.497 -20.391 1.00 31.21 C ATOM 488 C LYS A 34 -17.487 3.034 -20.061 1.00 2.52 C ATOM 489 O LYS A 34 -18.295 2.349 -19.433 1.00 42.15 O ATOM 490 CB LYS A 34 -15.069 3.081 -19.420 1.00 35.42 C ATOM 491 CG LYS A 34 -15.328 2.716 -17.968 1.00 63.42 C ATOM 492 CD LYS A 34 -15.131 1.229 -17.724 1.00 30.24 C ATOM 493 CE LYS A 34 -13.677 0.822 -17.906 1.00 21.42 C ATOM 494 NZ LYS A 34 -13.306 -0.319 -17.023 1.00 45.21 N ATOM 0 H LYS A 34 -14.889 3.381 -21.857 1.00 52.01 H new ATOM 0 HA LYS A 34 -16.113 1.412 -20.285 1.00 31.21 H new ATOM 0 HB2 LYS A 34 -14.076 2.731 -19.702 1.00 35.42 H new ATOM 0 HB3 LYS A 34 -15.064 4.167 -19.518 1.00 35.42 H new ATOM 0 HG2 LYS A 34 -14.657 3.284 -17.324 1.00 63.42 H new ATOM 0 HG3 LYS A 34 -16.345 2.999 -17.696 1.00 63.42 H new ATOM 0 HD2 LYS A 34 -15.456 0.979 -16.714 1.00 30.24 H new ATOM 0 HD3 LYS A 34 -15.758 0.660 -18.411 1.00 30.24 H new ATOM 0 HE2 LYS A 34 -13.504 0.547 -18.947 1.00 21.42 H new ATOM 0 HE3 LYS A 34 -13.032 1.673 -17.690 1.00 21.42 H new ATOM 0 HZ1 LYS A 34 -12.308 -0.566 -17.177 1.00 45.21 H new ATOM 0 HZ2 LYS A 34 -13.447 -0.048 -16.029 1.00 45.21 H new ATOM 0 HZ3 LYS A 34 -13.904 -1.140 -17.246 1.00 45.21 H new ATOM 508 N ILE A 35 -17.758 4.263 -20.488 1.00 45.13 N ATOM 509 CA ILE A 35 -19.050 4.890 -20.240 1.00 4.41 C ATOM 510 C ILE A 35 -20.162 4.179 -21.003 1.00 42.22 C ATOM 511 O ILE A 35 -21.288 4.066 -20.518 1.00 41.43 O ATOM 512 CB ILE A 35 -19.039 6.378 -20.638 1.00 40.04 C ATOM 513 CG1 ILE A 35 -17.865 7.099 -19.972 1.00 71.42 C ATOM 514 CG2 ILE A 35 -20.357 7.037 -20.259 1.00 5.41 C ATOM 515 CD1 ILE A 35 -17.852 6.967 -18.465 1.00 62.14 C ATOM 0 H ILE A 35 -17.100 4.844 -21.007 1.00 45.13 H new ATOM 0 HA ILE A 35 -19.239 4.810 -19.170 1.00 4.41 H new ATOM 0 HB ILE A 35 -18.917 6.449 -21.719 1.00 40.04 H new ATOM 0 HG12 ILE A 35 -16.932 6.702 -20.372 1.00 71.42 H new ATOM 0 HG13 ILE A 35 -17.901 8.156 -20.236 1.00 71.42 H new ATOM 0 HG21 ILE A 35 -20.334 8.088 -20.546 1.00 5.41 H new ATOM 0 HG22 ILE A 35 -21.176 6.537 -20.776 1.00 5.41 H new ATOM 0 HG23 ILE A 35 -20.507 6.959 -19.182 1.00 5.41 H new ATOM 0 HD11 ILE A 35 -16.993 7.502 -18.060 1.00 62.14 H new ATOM 0 HD12 ILE A 35 -18.769 7.390 -18.055 1.00 62.14 H new ATOM 0 HD13 ILE A 35 -17.784 5.914 -18.193 1.00 62.14 H new ATOM 527 N TYR A 36 -19.838 3.699 -22.199 1.00 1.53 N ATOM 528 CA TYR A 36 -20.810 2.999 -23.030 1.00 44.01 C ATOM 529 C TYR A 36 -21.408 1.810 -22.284 1.00 52.33 C ATOM 530 O TYR A 36 -22.622 1.607 -22.290 1.00 74.24 O ATOM 531 CB TYR A 36 -20.154 2.523 -24.327 1.00 45.54 C ATOM 532 CG TYR A 36 -20.667 1.186 -24.811 1.00 11.02 C ATOM 533 CD1 TYR A 36 -21.999 1.019 -25.169 1.00 41.23 C ATOM 534 CD2 TYR A 36 -19.820 0.089 -24.910 1.00 3.21 C ATOM 535 CE1 TYR A 36 -22.472 -0.201 -25.611 1.00 34.13 C ATOM 536 CE2 TYR A 36 -20.284 -1.135 -25.352 1.00 11.43 C ATOM 537 CZ TYR A 36 -21.611 -1.275 -25.700 1.00 52.14 C ATOM 538 OH TYR A 36 -22.079 -2.492 -26.141 1.00 3.20 O ATOM 0 H TYR A 36 -18.910 3.782 -22.614 1.00 1.53 H new ATOM 0 HA TYR A 36 -21.613 3.696 -23.271 1.00 44.01 H new ATOM 0 HB2 TYR A 36 -20.321 3.269 -25.104 1.00 45.54 H new ATOM 0 HB3 TYR A 36 -19.077 2.456 -24.176 1.00 45.54 H new ATOM 0 HD1 TYR A 36 -22.676 1.858 -25.100 1.00 41.23 H new ATOM 0 HD2 TYR A 36 -18.781 0.195 -24.637 1.00 3.21 H new ATOM 0 HE1 TYR A 36 -23.510 -0.314 -25.885 1.00 34.13 H new ATOM 0 HE2 TYR A 36 -19.612 -1.977 -25.425 1.00 11.43 H new ATOM 0 HH TYR A 36 -21.346 -3.142 -26.146 1.00 3.20 H new ATOM 548 N ASP A 37 -20.547 1.029 -21.642 1.00 70.22 N ATOM 549 CA ASP A 37 -20.989 -0.139 -20.889 1.00 61.44 C ATOM 550 C ASP A 37 -21.646 0.277 -19.577 1.00 74.42 C ATOM 551 O ASP A 37 -22.561 -0.388 -19.090 1.00 60.41 O ATOM 552 CB ASP A 37 -19.807 -1.069 -20.610 1.00 33.41 C ATOM 553 CG ASP A 37 -20.213 -2.530 -20.588 1.00 21.13 C ATOM 554 OD1 ASP A 37 -20.874 -2.977 -21.548 1.00 44.44 O ATOM 555 OD2 ASP A 37 -19.870 -3.227 -19.609 1.00 53.50 O ATOM 0 H ASP A 37 -19.539 1.183 -21.628 1.00 70.22 H new ATOM 0 HA ASP A 37 -21.726 -0.671 -21.490 1.00 61.44 H new ATOM 0 HB2 ASP A 37 -19.042 -0.919 -21.372 1.00 33.41 H new ATOM 0 HB3 ASP A 37 -19.359 -0.805 -19.652 1.00 33.41 H new ATOM 560 N LYS A 38 -21.174 1.380 -19.008 1.00 43.55 N ATOM 561 CA LYS A 38 -21.715 1.887 -17.753 1.00 23.44 C ATOM 562 C LYS A 38 -23.223 2.092 -17.853 1.00 43.54 C ATOM 563 O LYS A 38 -23.973 1.689 -16.966 1.00 34.10 O ATOM 564 CB LYS A 38 -21.034 3.204 -17.374 1.00 65.31 C ATOM 565 CG LYS A 38 -20.164 3.104 -16.133 1.00 64.10 C ATOM 566 CD LYS A 38 -18.715 2.813 -16.489 1.00 52.52 C ATOM 567 CE LYS A 38 -18.485 1.328 -16.721 1.00 74.04 C ATOM 568 NZ LYS A 38 -18.058 0.632 -15.476 1.00 65.35 N ATOM 0 H LYS A 38 -20.416 1.941 -19.397 1.00 43.55 H new ATOM 0 HA LYS A 38 -21.518 1.147 -16.977 1.00 23.44 H new ATOM 0 HB2 LYS A 38 -20.422 3.540 -18.211 1.00 65.31 H new ATOM 0 HB3 LYS A 38 -21.798 3.965 -17.212 1.00 65.31 H new ATOM 0 HG2 LYS A 38 -20.221 4.036 -15.571 1.00 64.10 H new ATOM 0 HG3 LYS A 38 -20.545 2.316 -15.483 1.00 64.10 H new ATOM 0 HD2 LYS A 38 -18.441 3.369 -17.386 1.00 52.52 H new ATOM 0 HD3 LYS A 38 -18.065 3.162 -15.686 1.00 52.52 H new ATOM 0 HE2 LYS A 38 -19.402 0.873 -17.095 1.00 74.04 H new ATOM 0 HE3 LYS A 38 -17.725 1.194 -17.491 1.00 74.04 H new ATOM 0 HZ1 LYS A 38 -17.911 -0.378 -15.676 1.00 65.35 H new ATOM 0 HZ2 LYS A 38 -17.170 1.049 -15.132 1.00 65.35 H new ATOM 0 HZ3 LYS A 38 -18.794 0.738 -14.749 1.00 65.35 H new ATOM 582 N GLU A 39 -23.658 2.721 -18.941 1.00 12.44 N ATOM 583 CA GLU A 39 -25.077 2.979 -19.156 1.00 51.41 C ATOM 584 C GLU A 39 -25.602 2.175 -20.342 1.00 35.24 C ATOM 585 O GLU A 39 -26.528 1.377 -20.203 1.00 34.23 O ATOM 586 CB GLU A 39 -25.317 4.472 -19.392 1.00 42.05 C ATOM 587 CG GLU A 39 -24.052 5.247 -19.722 1.00 61.20 C ATOM 588 CD GLU A 39 -24.311 6.727 -19.927 1.00 30.24 C ATOM 589 OE1 GLU A 39 -25.329 7.068 -20.565 1.00 61.42 O ATOM 590 OE2 GLU A 39 -23.497 7.544 -19.449 1.00 24.12 O ATOM 0 H GLU A 39 -23.049 3.061 -19.686 1.00 12.44 H new ATOM 0 HA GLU A 39 -25.616 2.669 -18.261 1.00 51.41 H new ATOM 0 HB2 GLU A 39 -26.030 4.592 -20.208 1.00 42.05 H new ATOM 0 HB3 GLU A 39 -25.775 4.903 -18.502 1.00 42.05 H new ATOM 0 HG2 GLU A 39 -23.330 5.117 -18.916 1.00 61.20 H new ATOM 0 HG3 GLU A 39 -23.601 4.833 -20.624 1.00 61.20 H new ATOM 597 N GLY A 40 -25.004 2.392 -21.509 1.00 24.12 N ATOM 598 CA GLY A 40 -25.424 1.681 -22.702 1.00 33.00 C ATOM 599 C GLY A 40 -25.699 2.613 -23.865 1.00 73.25 C ATOM 600 O GLY A 40 -26.769 2.558 -24.473 1.00 43.25 O ATOM 0 H GLY A 40 -24.236 3.048 -21.650 1.00 24.12 H new ATOM 0 HA2 GLY A 40 -24.651 0.967 -22.987 1.00 33.00 H new ATOM 0 HA3 GLY A 40 -26.323 1.106 -22.481 1.00 33.00 H new ATOM 604 N ILE A 41 -24.733 3.471 -24.175 1.00 54.10 N ATOM 605 CA ILE A 41 -24.878 4.419 -25.273 1.00 5.12 C ATOM 606 C ILE A 41 -23.673 4.366 -26.207 1.00 11.04 C ATOM 607 O ILE A 41 -22.565 4.003 -25.811 1.00 51.21 O ATOM 608 CB ILE A 41 -25.048 5.859 -24.754 1.00 41.34 C ATOM 609 CG1 ILE A 41 -23.704 6.415 -24.278 1.00 53.42 C ATOM 610 CG2 ILE A 41 -26.072 5.900 -23.630 1.00 74.14 C ATOM 611 CD1 ILE A 41 -23.271 5.878 -22.933 1.00 24.35 C ATOM 0 H ILE A 41 -23.842 3.529 -23.682 1.00 54.10 H new ATOM 0 HA ILE A 41 -25.774 4.131 -25.823 1.00 5.12 H new ATOM 0 HB ILE A 41 -25.409 6.483 -25.571 1.00 41.34 H new ATOM 0 HG12 ILE A 41 -22.939 6.178 -25.018 1.00 53.42 H new ATOM 0 HG13 ILE A 41 -23.769 7.502 -24.223 1.00 53.42 H new ATOM 0 HG21 ILE A 41 -26.181 6.924 -23.274 1.00 74.14 H new ATOM 0 HG22 ILE A 41 -27.032 5.540 -23.999 1.00 74.14 H new ATOM 0 HG23 ILE A 41 -25.738 5.265 -22.810 1.00 74.14 H new ATOM 0 HD11 ILE A 41 -22.311 6.315 -22.659 1.00 24.35 H new ATOM 0 HD12 ILE A 41 -24.016 6.138 -22.181 1.00 24.35 H new ATOM 0 HD13 ILE A 41 -23.174 4.794 -22.988 1.00 24.35 H new ATOM 623 N PRO A 42 -23.892 4.738 -27.477 1.00 33.14 N ATOM 624 CA PRO A 42 -22.836 4.744 -28.493 1.00 71.32 C ATOM 625 C PRO A 42 -21.802 5.837 -28.248 1.00 41.14 C ATOM 626 O PRO A 42 -22.103 7.030 -28.290 1.00 2.23 O ATOM 627 CB PRO A 42 -23.598 5.009 -29.794 1.00 44.52 C ATOM 628 CG PRO A 42 -24.830 5.731 -29.371 1.00 52.30 C ATOM 629 CD PRO A 42 -25.188 5.182 -28.018 1.00 22.13 C ATOM 0 HA PRO A 42 -22.269 3.813 -28.497 1.00 71.32 H new ATOM 0 HB2 PRO A 42 -23.005 5.609 -30.485 1.00 44.52 H new ATOM 0 HB3 PRO A 42 -23.841 4.078 -30.307 1.00 44.52 H new ATOM 0 HG2 PRO A 42 -24.655 6.806 -29.322 1.00 52.30 H new ATOM 0 HG3 PRO A 42 -25.640 5.572 -30.083 1.00 52.30 H new ATOM 0 HD2 PRO A 42 -25.649 5.941 -27.385 1.00 22.13 H new ATOM 0 HD3 PRO A 42 -25.896 4.357 -28.094 1.00 22.13 H new ATOM 637 N PRO A 43 -20.553 5.424 -27.988 1.00 22.45 N ATOM 638 CA PRO A 43 -19.448 6.353 -27.732 1.00 15.10 C ATOM 639 C PRO A 43 -19.037 7.123 -28.983 1.00 33.35 C ATOM 640 O PRO A 43 -18.574 8.260 -28.899 1.00 13.44 O ATOM 641 CB PRO A 43 -18.313 5.436 -27.271 1.00 3.32 C ATOM 642 CG PRO A 43 -18.622 4.113 -27.881 1.00 54.13 C ATOM 643 CD PRO A 43 -20.122 4.017 -27.922 1.00 74.15 C ATOM 0 HA PRO A 43 -19.718 7.118 -27.004 1.00 15.10 H new ATOM 0 HB2 PRO A 43 -17.344 5.808 -27.603 1.00 3.32 H new ATOM 0 HB3 PRO A 43 -18.274 5.371 -26.184 1.00 3.32 H new ATOM 0 HG2 PRO A 43 -18.198 4.036 -28.882 1.00 54.13 H new ATOM 0 HG3 PRO A 43 -18.195 3.302 -27.291 1.00 54.13 H new ATOM 0 HD2 PRO A 43 -20.465 3.451 -28.788 1.00 74.15 H new ATOM 0 HD3 PRO A 43 -20.517 3.517 -27.038 1.00 74.15 H new ATOM 651 N ASP A 44 -19.210 6.495 -30.141 1.00 3.42 N ATOM 652 CA ASP A 44 -18.858 7.122 -31.410 1.00 2.44 C ATOM 653 C ASP A 44 -19.870 8.202 -31.781 1.00 64.13 C ATOM 654 O ASP A 44 -19.605 9.044 -32.638 1.00 41.35 O ATOM 655 CB ASP A 44 -18.784 6.072 -32.519 1.00 25.23 C ATOM 656 CG ASP A 44 -17.975 6.545 -33.711 1.00 24.54 C ATOM 657 OD1 ASP A 44 -16.794 6.903 -33.521 1.00 63.01 O ATOM 658 OD2 ASP A 44 -18.523 6.557 -34.833 1.00 22.21 O ATOM 0 H ASP A 44 -19.592 5.553 -30.227 1.00 3.42 H new ATOM 0 HA ASP A 44 -17.880 7.589 -31.298 1.00 2.44 H new ATOM 0 HB2 ASP A 44 -18.341 5.159 -32.122 1.00 25.23 H new ATOM 0 HB3 ASP A 44 -19.793 5.821 -32.845 1.00 25.23 H new ATOM 663 N GLN A 45 -21.028 8.169 -31.131 1.00 74.34 N ATOM 664 CA GLN A 45 -22.080 9.143 -31.396 1.00 11.44 C ATOM 665 C GLN A 45 -22.002 10.308 -30.414 1.00 42.33 C ATOM 666 O GLN A 45 -22.652 11.336 -30.604 1.00 64.02 O ATOM 667 CB GLN A 45 -23.455 8.478 -31.307 1.00 41.55 C ATOM 668 CG GLN A 45 -23.931 7.889 -32.625 1.00 70.22 C ATOM 669 CD GLN A 45 -25.032 6.863 -32.442 1.00 30.15 C ATOM 670 OE1 GLN A 45 -24.809 5.662 -32.593 1.00 64.44 O ATOM 671 NE2 GLN A 45 -26.230 7.332 -32.113 1.00 1.24 N ATOM 0 H GLN A 45 -21.262 7.479 -30.417 1.00 74.34 H new ATOM 0 HA GLN A 45 -21.936 9.530 -32.405 1.00 11.44 H new ATOM 0 HB2 GLN A 45 -23.420 7.688 -30.557 1.00 41.55 H new ATOM 0 HB3 GLN A 45 -24.183 9.212 -30.962 1.00 41.55 H new ATOM 0 HG2 GLN A 45 -24.291 8.692 -33.268 1.00 70.22 H new ATOM 0 HG3 GLN A 45 -23.088 7.424 -33.136 1.00 70.22 H new ATOM 0 HE21 GLN A 45 -26.371 8.336 -31.998 1.00 1.24 H new ATOM 0 HE22 GLN A 45 -27.009 6.689 -31.975 1.00 1.24 H new ATOM 680 N GLN A 46 -21.203 10.139 -29.366 1.00 3.53 N ATOM 681 CA GLN A 46 -21.041 11.177 -28.354 1.00 51.22 C ATOM 682 C GLN A 46 -19.619 11.727 -28.361 1.00 44.43 C ATOM 683 O GLN A 46 -18.679 11.040 -28.762 1.00 1.23 O ATOM 684 CB GLN A 46 -21.380 10.626 -26.968 1.00 73.54 C ATOM 685 CG GLN A 46 -20.570 9.397 -26.587 1.00 44.35 C ATOM 686 CD GLN A 46 -20.561 9.144 -25.093 1.00 12.22 C ATOM 687 OE1 GLN A 46 -19.533 9.292 -24.432 1.00 45.13 O ATOM 688 NE2 GLN A 46 -21.711 8.760 -24.551 1.00 1.34 N ATOM 0 H GLN A 46 -20.658 9.294 -29.195 1.00 3.53 H new ATOM 0 HA GLN A 46 -21.727 11.990 -28.592 1.00 51.22 H new ATOM 0 HB2 GLN A 46 -21.212 11.406 -26.225 1.00 73.54 H new ATOM 0 HB3 GLN A 46 -22.441 10.377 -26.935 1.00 73.54 H new ATOM 0 HG2 GLN A 46 -20.979 8.525 -27.097 1.00 44.35 H new ATOM 0 HG3 GLN A 46 -19.545 9.519 -26.937 1.00 44.35 H new ATOM 0 HE21 GLN A 46 -22.539 8.650 -25.136 1.00 1.34 H new ATOM 0 HE22 GLN A 46 -21.766 8.575 -23.549 1.00 1.34 H new ATOM 697 N ARG A 47 -19.468 12.971 -27.916 1.00 71.43 N ATOM 698 CA ARG A 47 -18.160 13.613 -27.873 1.00 53.50 C ATOM 699 C ARG A 47 -17.949 14.327 -26.541 1.00 21.22 C ATOM 700 O ARG A 47 -18.901 14.575 -25.799 1.00 63.41 O ATOM 701 CB ARG A 47 -18.020 14.610 -29.025 1.00 41.02 C ATOM 702 CG ARG A 47 -17.111 14.125 -30.143 1.00 3.05 C ATOM 703 CD ARG A 47 -17.857 13.228 -31.118 1.00 42.31 C ATOM 704 NE ARG A 47 -17.250 11.903 -31.217 1.00 53.43 N ATOM 705 CZ ARG A 47 -16.113 11.662 -31.859 1.00 44.20 C ATOM 706 NH1 ARG A 47 -15.461 12.651 -32.455 1.00 10.31 N ATOM 707 NH2 ARG A 47 -15.624 10.429 -31.905 1.00 50.32 N ATOM 0 H ARG A 47 -20.235 13.553 -27.580 1.00 71.43 H new ATOM 0 HA ARG A 47 -17.399 12.839 -27.976 1.00 53.50 H new ATOM 0 HB2 ARG A 47 -19.008 14.819 -29.436 1.00 41.02 H new ATOM 0 HB3 ARG A 47 -17.632 15.551 -28.635 1.00 41.02 H new ATOM 0 HG2 ARG A 47 -16.700 14.982 -30.677 1.00 3.05 H new ATOM 0 HG3 ARG A 47 -16.268 13.580 -29.718 1.00 3.05 H new ATOM 0 HD2 ARG A 47 -18.894 13.129 -30.798 1.00 42.31 H new ATOM 0 HD3 ARG A 47 -17.870 13.695 -32.103 1.00 42.31 H new ATOM 0 HE ARG A 47 -17.726 11.120 -30.768 1.00 53.43 H new ATOM 0 HH11 ARG A 47 -15.833 13.600 -32.421 1.00 10.31 H new ATOM 0 HH12 ARG A 47 -14.588 12.462 -32.947 1.00 10.31 H new ATOM 0 HH21 ARG A 47 -16.122 9.666 -31.447 1.00 50.32 H new ATOM 0 HH22 ARG A 47 -14.751 10.245 -32.398 1.00 50.32 H new ATOM 721 N LEU A 48 -16.696 14.654 -26.243 1.00 73.20 N ATOM 722 CA LEU A 48 -16.359 15.338 -25.000 1.00 12.43 C ATOM 723 C LEU A 48 -16.074 16.816 -25.251 1.00 75.44 C ATOM 724 O LEU A 48 -15.571 17.189 -26.311 1.00 63.23 O ATOM 725 CB LEU A 48 -15.145 14.678 -24.344 1.00 33.12 C ATOM 726 CG LEU A 48 -15.069 13.155 -24.454 1.00 22.32 C ATOM 727 CD1 LEU A 48 -16.443 12.535 -24.255 1.00 14.44 C ATOM 728 CD2 LEU A 48 -14.488 12.746 -25.799 1.00 65.24 C ATOM 0 H LEU A 48 -15.897 14.456 -26.845 1.00 73.20 H new ATOM 0 HA LEU A 48 -17.214 15.260 -24.329 1.00 12.43 H new ATOM 0 HB2 LEU A 48 -14.243 15.100 -24.788 1.00 33.12 H new ATOM 0 HB3 LEU A 48 -15.137 14.947 -23.288 1.00 33.12 H new ATOM 0 HG LEU A 48 -14.410 12.786 -23.668 1.00 22.32 H new ATOM 0 HD11 LEU A 48 -16.368 11.451 -24.337 1.00 14.44 H new ATOM 0 HD12 LEU A 48 -16.822 12.799 -23.268 1.00 14.44 H new ATOM 0 HD13 LEU A 48 -17.125 12.910 -25.018 1.00 14.44 H new ATOM 0 HD21 LEU A 48 -14.441 11.659 -25.860 1.00 65.24 H new ATOM 0 HD22 LEU A 48 -15.121 13.127 -26.600 1.00 65.24 H new ATOM 0 HD23 LEU A 48 -13.484 13.159 -25.902 1.00 65.24 H new ATOM 740 N ILE A 49 -16.398 17.651 -24.270 1.00 74.21 N ATOM 741 CA ILE A 49 -16.174 19.087 -24.384 1.00 72.53 C ATOM 742 C ILE A 49 -15.663 19.669 -23.071 1.00 42.33 C ATOM 743 O ILE A 49 -16.302 19.533 -22.028 1.00 74.41 O ATOM 744 CB ILE A 49 -17.461 19.826 -24.795 1.00 12.34 C ATOM 745 CG1 ILE A 49 -17.497 20.030 -26.311 1.00 33.43 C ATOM 746 CG2 ILE A 49 -17.557 21.162 -24.073 1.00 40.32 C ATOM 747 CD1 ILE A 49 -18.760 19.508 -26.960 1.00 41.24 C ATOM 0 H ILE A 49 -16.817 17.358 -23.387 1.00 74.21 H new ATOM 0 HA ILE A 49 -15.421 19.229 -25.159 1.00 72.53 H new ATOM 0 HB ILE A 49 -18.319 19.217 -24.509 1.00 12.34 H new ATOM 0 HG12 ILE A 49 -17.399 21.093 -26.529 1.00 33.43 H new ATOM 0 HG13 ILE A 49 -16.636 19.532 -26.757 1.00 33.43 H new ATOM 0 HG21 ILE A 49 -18.472 21.673 -24.373 1.00 40.32 H new ATOM 0 HG22 ILE A 49 -17.572 20.993 -22.996 1.00 40.32 H new ATOM 0 HG23 ILE A 49 -16.696 21.778 -24.331 1.00 40.32 H new ATOM 0 HD11 ILE A 49 -18.717 19.686 -28.035 1.00 41.24 H new ATOM 0 HD12 ILE A 49 -18.850 18.438 -26.773 1.00 41.24 H new ATOM 0 HD13 ILE A 49 -19.624 20.023 -26.541 1.00 41.24 H new ATOM 759 N PHE A 50 -14.506 20.321 -23.130 1.00 54.43 N ATOM 760 CA PHE A 50 -13.909 20.927 -21.946 1.00 23.42 C ATOM 761 C PHE A 50 -13.563 22.391 -22.199 1.00 2.00 C ATOM 762 O PHE A 50 -12.823 22.714 -23.127 1.00 71.04 O ATOM 763 CB PHE A 50 -12.652 20.158 -21.533 1.00 63.24 C ATOM 764 CG PHE A 50 -12.142 20.529 -20.170 1.00 51.22 C ATOM 765 CD1 PHE A 50 -11.456 21.717 -19.972 1.00 73.23 C ATOM 766 CD2 PHE A 50 -12.349 19.691 -19.087 1.00 13.15 C ATOM 767 CE1 PHE A 50 -10.986 22.060 -18.719 1.00 43.41 C ATOM 768 CE2 PHE A 50 -11.881 20.030 -17.831 1.00 34.33 C ATOM 769 CZ PHE A 50 -11.200 21.217 -17.647 1.00 24.52 C ATOM 0 H PHE A 50 -13.964 20.443 -23.985 1.00 54.43 H new ATOM 0 HA PHE A 50 -14.638 20.880 -21.137 1.00 23.42 H new ATOM 0 HB2 PHE A 50 -12.867 19.090 -21.553 1.00 63.24 H new ATOM 0 HB3 PHE A 50 -11.867 20.339 -22.267 1.00 63.24 H new ATOM 0 HD1 PHE A 50 -11.287 22.382 -20.806 1.00 73.23 H new ATOM 0 HD2 PHE A 50 -12.882 18.762 -19.225 1.00 13.15 H new ATOM 0 HE1 PHE A 50 -10.451 22.988 -18.578 1.00 43.41 H new ATOM 0 HE2 PHE A 50 -12.048 19.367 -16.995 1.00 34.33 H new ATOM 0 HZ PHE A 50 -10.836 21.485 -16.666 1.00 24.52 H new ATOM 779 N GLY A 51 -14.105 23.274 -21.365 1.00 61.24 N ATOM 780 CA GLY A 51 -13.843 24.693 -21.515 1.00 53.33 C ATOM 781 C GLY A 51 -14.419 25.257 -22.800 1.00 20.55 C ATOM 782 O GLY A 51 -14.127 26.392 -23.173 1.00 72.45 O ATOM 0 H GLY A 51 -14.721 23.031 -20.589 1.00 61.24 H new ATOM 0 HA2 GLY A 51 -14.265 25.229 -20.665 1.00 53.33 H new ATOM 0 HA3 GLY A 51 -12.767 24.864 -21.497 1.00 53.33 H new ATOM 786 N GLY A 52 -15.239 24.460 -23.478 1.00 61.34 N ATOM 787 CA GLY A 52 -15.842 24.902 -24.722 1.00 13.11 C ATOM 788 C GLY A 52 -15.308 24.150 -25.925 1.00 54.40 C ATOM 789 O GLY A 52 -16.016 23.964 -26.915 1.00 14.20 O ATOM 0 H GLY A 52 -15.496 23.517 -23.188 1.00 61.34 H new ATOM 0 HA2 GLY A 52 -16.922 24.770 -24.665 1.00 13.11 H new ATOM 0 HA3 GLY A 52 -15.658 25.968 -24.853 1.00 13.11 H new ATOM 793 N LYS A 53 -14.055 23.718 -25.842 1.00 22.11 N ATOM 794 CA LYS A 53 -13.425 22.982 -26.932 1.00 2.50 C ATOM 795 C LYS A 53 -13.564 21.478 -26.725 1.00 30.30 C ATOM 796 O LYS A 53 -13.563 20.996 -25.593 1.00 21.24 O ATOM 797 CB LYS A 53 -11.945 23.358 -27.040 1.00 52.41 C ATOM 798 CG LYS A 53 -11.185 23.220 -25.732 1.00 55.52 C ATOM 799 CD LYS A 53 -10.567 21.840 -25.590 1.00 23.04 C ATOM 800 CE LYS A 53 -9.478 21.607 -26.626 1.00 51.41 C ATOM 801 NZ LYS A 53 -8.118 21.644 -26.020 1.00 53.21 N ATOM 0 H LYS A 53 -13.455 23.865 -25.031 1.00 22.11 H new ATOM 0 HA LYS A 53 -13.931 23.251 -27.859 1.00 2.50 H new ATOM 0 HB2 LYS A 53 -11.473 22.727 -27.793 1.00 52.41 H new ATOM 0 HB3 LYS A 53 -11.865 24.387 -27.390 1.00 52.41 H new ATOM 0 HG2 LYS A 53 -10.402 23.977 -25.683 1.00 55.52 H new ATOM 0 HG3 LYS A 53 -11.860 23.405 -24.896 1.00 55.52 H new ATOM 0 HD2 LYS A 53 -10.149 21.729 -24.590 1.00 23.04 H new ATOM 0 HD3 LYS A 53 -11.341 21.081 -25.698 1.00 23.04 H new ATOM 0 HE2 LYS A 53 -9.635 20.642 -27.107 1.00 51.41 H new ATOM 0 HE3 LYS A 53 -9.549 22.366 -27.405 1.00 51.41 H new ATOM 0 HZ1 LYS A 53 -7.404 21.481 -26.759 1.00 53.21 H new ATOM 0 HZ2 LYS A 53 -7.958 22.574 -25.583 1.00 53.21 H new ATOM 0 HZ3 LYS A 53 -8.041 20.903 -25.295 1.00 53.21 H new ATOM 815 N GLN A 54 -13.682 20.742 -27.826 1.00 31.15 N ATOM 816 CA GLN A 54 -13.821 19.292 -27.763 1.00 72.21 C ATOM 817 C GLN A 54 -12.519 18.639 -27.311 1.00 41.04 C ATOM 818 O GLN A 54 -11.467 19.279 -27.289 1.00 65.21 O ATOM 819 CB GLN A 54 -14.236 18.739 -29.128 1.00 33.14 C ATOM 820 CG GLN A 54 -15.551 17.976 -29.101 1.00 1.14 C ATOM 821 CD GLN A 54 -16.378 18.194 -30.352 1.00 62.14 C ATOM 822 OE1 GLN A 54 -17.494 18.710 -30.291 1.00 10.20 O ATOM 823 NE2 GLN A 54 -15.833 17.801 -31.498 1.00 32.32 N ATOM 0 H GLN A 54 -13.684 21.126 -28.771 1.00 31.15 H new ATOM 0 HA GLN A 54 -14.596 19.058 -27.033 1.00 72.21 H new ATOM 0 HB2 GLN A 54 -14.319 19.564 -29.835 1.00 33.14 H new ATOM 0 HB3 GLN A 54 -13.451 18.080 -29.498 1.00 33.14 H new ATOM 0 HG2 GLN A 54 -15.347 16.912 -28.986 1.00 1.14 H new ATOM 0 HG3 GLN A 54 -16.128 18.286 -28.230 1.00 1.14 H new ATOM 0 HE21 GLN A 54 -14.905 17.378 -31.503 1.00 32.32 H new ATOM 0 HE22 GLN A 54 -16.343 17.923 -32.373 1.00 32.32 H new ATOM 832 N LEU A 55 -12.597 17.363 -26.952 1.00 24.41 N ATOM 833 CA LEU A 55 -11.424 16.622 -26.500 1.00 44.21 C ATOM 834 C LEU A 55 -11.089 15.490 -27.466 1.00 43.31 C ATOM 835 O LEU A 55 -11.945 14.672 -27.798 1.00 32.41 O ATOM 836 CB LEU A 55 -11.661 16.058 -25.098 1.00 41.21 C ATOM 837 CG LEU A 55 -12.266 17.025 -24.079 1.00 63.33 C ATOM 838 CD1 LEU A 55 -12.309 16.388 -22.699 1.00 64.51 C ATOM 839 CD2 LEU A 55 -11.476 18.325 -24.044 1.00 53.20 C ATOM 0 H LEU A 55 -13.460 16.819 -26.965 1.00 24.41 H new ATOM 0 HA LEU A 55 -10.580 17.311 -26.470 1.00 44.21 H new ATOM 0 HB2 LEU A 55 -12.318 15.193 -25.183 1.00 41.21 H new ATOM 0 HB3 LEU A 55 -10.709 15.698 -24.707 1.00 41.21 H new ATOM 0 HG LEU A 55 -13.288 17.252 -24.384 1.00 63.33 H new ATOM 0 HD11 LEU A 55 -12.742 17.091 -21.987 1.00 64.51 H new ATOM 0 HD12 LEU A 55 -12.918 15.485 -22.734 1.00 64.51 H new ATOM 0 HD13 LEU A 55 -11.297 16.131 -22.385 1.00 64.51 H new ATOM 0 HD21 LEU A 55 -11.920 19.001 -23.314 1.00 53.20 H new ATOM 0 HD22 LEU A 55 -10.444 18.116 -23.764 1.00 53.20 H new ATOM 0 HD23 LEU A 55 -11.497 18.790 -25.029 1.00 53.20 H new ATOM 851 N GLU A 56 -9.837 15.450 -27.912 1.00 2.25 N ATOM 852 CA GLU A 56 -9.389 14.417 -28.838 1.00 52.23 C ATOM 853 C GLU A 56 -9.393 13.046 -28.168 1.00 51.22 C ATOM 854 O GLU A 56 -9.828 12.903 -27.025 1.00 44.41 O ATOM 855 CB GLU A 56 -7.986 14.739 -29.357 1.00 52.41 C ATOM 856 CG GLU A 56 -7.895 14.792 -30.873 1.00 11.51 C ATOM 857 CD GLU A 56 -6.521 15.207 -31.361 1.00 5.34 C ATOM 858 OE1 GLU A 56 -6.161 16.390 -31.184 1.00 53.41 O ATOM 859 OE2 GLU A 56 -5.805 14.350 -31.918 1.00 64.25 O ATOM 0 H GLU A 56 -9.116 16.121 -27.647 1.00 2.25 H new ATOM 0 HA GLU A 56 -10.083 14.393 -29.678 1.00 52.23 H new ATOM 0 HB2 GLU A 56 -7.668 15.698 -28.949 1.00 52.41 H new ATOM 0 HB3 GLU A 56 -7.289 13.988 -28.986 1.00 52.41 H new ATOM 0 HG2 GLU A 56 -8.141 13.812 -31.282 1.00 11.51 H new ATOM 0 HG3 GLU A 56 -8.638 15.492 -31.254 1.00 11.51 H new ATOM 866 N ASP A 57 -8.907 12.041 -28.888 1.00 41.20 N ATOM 867 CA ASP A 57 -8.853 10.681 -28.364 1.00 54.32 C ATOM 868 C ASP A 57 -7.760 10.548 -27.309 1.00 63.01 C ATOM 869 O ASP A 57 -7.824 9.678 -26.440 1.00 53.42 O ATOM 870 CB ASP A 57 -8.610 9.684 -29.498 1.00 44.32 C ATOM 871 CG ASP A 57 -9.717 9.702 -30.533 1.00 15.11 C ATOM 872 OD1 ASP A 57 -10.895 9.552 -30.144 1.00 51.05 O ATOM 873 OD2 ASP A 57 -9.407 9.867 -31.731 1.00 71.00 O ATOM 0 H ASP A 57 -8.545 12.142 -29.836 1.00 41.20 H new ATOM 0 HA ASP A 57 -9.812 10.460 -27.896 1.00 54.32 H new ATOM 0 HB2 ASP A 57 -7.661 9.913 -29.982 1.00 44.32 H new ATOM 0 HB3 ASP A 57 -8.522 8.680 -29.082 1.00 44.32 H new ATOM 878 N SER A 58 -6.756 11.415 -27.392 1.00 64.12 N ATOM 879 CA SER A 58 -5.645 11.391 -26.448 1.00 21.04 C ATOM 880 C SER A 58 -5.684 12.610 -25.532 1.00 15.35 C ATOM 881 O SER A 58 -4.791 12.813 -24.711 1.00 22.33 O ATOM 882 CB SER A 58 -4.312 11.345 -27.197 1.00 23.34 C ATOM 883 OG SER A 58 -3.226 11.201 -26.297 1.00 72.21 O ATOM 0 H SER A 58 -6.689 12.143 -28.103 1.00 64.12 H new ATOM 0 HA SER A 58 -5.741 10.494 -25.836 1.00 21.04 H new ATOM 0 HB2 SER A 58 -4.316 10.514 -27.903 1.00 23.34 H new ATOM 0 HB3 SER A 58 -4.187 12.258 -27.780 1.00 23.34 H new ATOM 0 HG SER A 58 -3.352 11.802 -25.533 1.00 72.21 H new ATOM 889 N ASN A 59 -6.728 13.420 -25.679 1.00 72.12 N ATOM 890 CA ASN A 59 -6.885 14.620 -24.866 1.00 53.42 C ATOM 891 C ASN A 59 -7.578 14.296 -23.546 1.00 10.40 C ATOM 892 O ASN A 59 -8.779 14.517 -23.393 1.00 71.41 O ATOM 893 CB ASN A 59 -7.686 15.677 -25.629 1.00 54.24 C ATOM 894 CG ASN A 59 -7.604 17.045 -24.980 1.00 54.21 C ATOM 895 OD1 ASN A 59 -7.754 17.178 -23.765 1.00 42.03 O ATOM 896 ND2 ASN A 59 -7.366 18.071 -25.789 1.00 73.24 N ATOM 0 H ASN A 59 -7.477 13.267 -26.354 1.00 72.12 H new ATOM 0 HA ASN A 59 -5.892 15.013 -24.648 1.00 53.42 H new ATOM 0 HB2 ASN A 59 -7.316 15.741 -26.652 1.00 54.24 H new ATOM 0 HB3 ASN A 59 -8.729 15.367 -25.686 1.00 54.24 H new ATOM 0 HD21 ASN A 59 -7.301 19.015 -25.409 1.00 73.24 H new ATOM 0 HD22 ASN A 59 -7.248 17.915 -26.790 1.00 73.24 H new ATOM 903 N ALA A 60 -6.812 13.773 -22.595 1.00 24.31 N ATOM 904 CA ALA A 60 -7.350 13.421 -21.287 1.00 74.10 C ATOM 905 C ALA A 60 -6.240 12.995 -20.332 1.00 52.33 C ATOM 906 O ALA A 60 -5.789 13.782 -19.500 1.00 34.31 O ATOM 907 CB ALA A 60 -8.385 12.314 -21.423 1.00 34.10 C ATOM 0 H ALA A 60 -5.816 13.583 -22.706 1.00 24.31 H new ATOM 0 HA ALA A 60 -7.832 14.306 -20.870 1.00 74.10 H new ATOM 0 HB1 ALA A 60 -8.779 12.061 -20.439 1.00 34.10 H new ATOM 0 HB2 ALA A 60 -9.199 12.654 -22.063 1.00 34.10 H new ATOM 0 HB3 ALA A 60 -7.920 11.433 -21.865 1.00 34.10 H new ATOM 913 N MET A 61 -5.804 11.746 -20.458 1.00 54.11 N ATOM 914 CA MET A 61 -4.746 11.217 -19.606 1.00 21.11 C ATOM 915 C MET A 61 -3.389 11.784 -20.009 1.00 44.11 C ATOM 916 O MET A 61 -2.715 12.434 -19.210 1.00 41.41 O ATOM 917 CB MET A 61 -4.716 9.689 -19.682 1.00 54.21 C ATOM 918 CG MET A 61 -6.098 9.056 -19.714 1.00 22.54 C ATOM 919 SD MET A 61 -7.178 9.679 -18.411 1.00 61.04 S ATOM 920 CE MET A 61 -8.764 9.646 -19.243 1.00 11.24 C ATOM 0 H MET A 61 -6.167 11.082 -21.142 1.00 54.11 H new ATOM 0 HA MET A 61 -4.956 11.518 -18.580 1.00 21.11 H new ATOM 0 HB2 MET A 61 -4.167 9.388 -20.574 1.00 54.21 H new ATOM 0 HB3 MET A 61 -4.167 9.301 -18.824 1.00 54.21 H new ATOM 0 HG2 MET A 61 -6.558 9.246 -20.684 1.00 22.54 H new ATOM 0 HG3 MET A 61 -6.001 7.975 -19.614 1.00 22.54 H new ATOM 0 HE1 MET A 61 -9.355 10.509 -18.935 1.00 11.24 H new ATOM 0 HE2 MET A 61 -8.610 9.678 -20.322 1.00 11.24 H new ATOM 0 HE3 MET A 61 -9.294 8.731 -18.980 1.00 11.24 H new ATOM 930 N SER A 62 -2.993 11.533 -21.253 1.00 71.01 N ATOM 931 CA SER A 62 -1.714 12.015 -21.761 1.00 10.34 C ATOM 932 C SER A 62 -1.625 13.535 -21.654 1.00 74.30 C ATOM 933 O SER A 62 -0.552 14.090 -21.417 1.00 73.14 O ATOM 934 CB SER A 62 -1.523 11.583 -23.216 1.00 23.25 C ATOM 935 OG SER A 62 -0.885 12.599 -23.970 1.00 72.21 O ATOM 0 H SER A 62 -3.540 10.998 -21.928 1.00 71.01 H new ATOM 0 HA SER A 62 -0.922 11.578 -21.153 1.00 10.34 H new ATOM 0 HB2 SER A 62 -0.928 10.671 -23.253 1.00 23.25 H new ATOM 0 HB3 SER A 62 -2.491 11.350 -23.660 1.00 23.25 H new ATOM 0 HG SER A 62 -0.773 12.298 -24.896 1.00 72.21 H new ATOM 941 N ASP A 63 -2.761 14.201 -21.830 1.00 70.15 N ATOM 942 CA ASP A 63 -2.814 15.656 -21.753 1.00 43.25 C ATOM 943 C ASP A 63 -2.322 16.147 -20.395 1.00 63.33 C ATOM 944 O ASP A 63 -1.860 17.281 -20.263 1.00 72.54 O ATOM 945 CB ASP A 63 -4.240 16.150 -22.002 1.00 43.10 C ATOM 946 CG ASP A 63 -4.283 17.605 -22.425 1.00 1.30 C ATOM 947 OD1 ASP A 63 -4.236 18.483 -21.538 1.00 15.24 O ATOM 948 OD2 ASP A 63 -4.362 17.866 -23.643 1.00 53.54 O ATOM 0 H ASP A 63 -3.658 13.756 -22.027 1.00 70.15 H new ATOM 0 HA ASP A 63 -2.158 16.060 -22.524 1.00 43.25 H new ATOM 0 HB2 ASP A 63 -4.704 15.536 -22.774 1.00 43.10 H new ATOM 0 HB3 ASP A 63 -4.830 16.021 -21.094 1.00 43.10 H new ATOM 953 N TYR A 64 -2.424 15.286 -19.389 1.00 14.12 N ATOM 954 CA TYR A 64 -1.993 15.633 -18.040 1.00 33.23 C ATOM 955 C TYR A 64 -3.036 16.500 -17.341 1.00 3.23 C ATOM 956 O TYR A 64 -2.725 17.222 -16.394 1.00 30.41 O ATOM 957 CB TYR A 64 -0.651 16.365 -18.083 1.00 62.41 C ATOM 958 CG TYR A 64 0.176 16.187 -16.830 1.00 2.53 C ATOM 959 CD1 TYR A 64 0.744 14.959 -16.517 1.00 21.53 C ATOM 960 CD2 TYR A 64 0.389 17.248 -15.958 1.00 52.20 C ATOM 961 CE1 TYR A 64 1.500 14.792 -15.372 1.00 71.43 C ATOM 962 CE2 TYR A 64 1.144 17.091 -14.812 1.00 63.13 C ATOM 963 CZ TYR A 64 1.697 15.861 -14.524 1.00 25.23 C ATOM 964 OH TYR A 64 2.449 15.700 -13.383 1.00 25.44 O ATOM 0 H TYR A 64 -2.801 14.343 -19.482 1.00 14.12 H new ATOM 0 HA TYR A 64 -1.877 14.709 -17.474 1.00 33.23 H new ATOM 0 HB2 TYR A 64 -0.079 16.008 -18.939 1.00 62.41 H new ATOM 0 HB3 TYR A 64 -0.831 17.428 -18.241 1.00 62.41 H new ATOM 0 HD1 TYR A 64 0.592 14.120 -17.180 1.00 21.53 H new ATOM 0 HD2 TYR A 64 -0.043 18.212 -16.180 1.00 52.20 H new ATOM 0 HE1 TYR A 64 1.934 13.830 -15.143 1.00 71.43 H new ATOM 0 HE2 TYR A 64 1.300 17.926 -14.146 1.00 63.13 H new ATOM 0 HH TYR A 64 2.491 16.550 -12.897 1.00 25.44 H new ATOM 974 N ASN A 65 -4.275 16.423 -17.815 1.00 62.23 N ATOM 975 CA ASN A 65 -5.365 17.200 -17.237 1.00 3.12 C ATOM 976 C ASN A 65 -6.359 16.292 -16.520 1.00 13.45 C ATOM 977 O ASN A 65 -7.449 16.723 -16.142 1.00 51.00 O ATOM 978 CB ASN A 65 -6.082 18.001 -18.326 1.00 4.03 C ATOM 979 CG ASN A 65 -7.105 17.170 -19.076 1.00 5.01 C ATOM 980 OD1 ASN A 65 -6.757 16.208 -19.761 1.00 32.23 O ATOM 981 ND2 ASN A 65 -8.374 17.539 -18.950 1.00 2.32 N ATOM 0 H ASN A 65 -4.549 15.830 -18.598 1.00 62.23 H new ATOM 0 HA ASN A 65 -4.940 17.890 -16.509 1.00 3.12 H new ATOM 0 HB2 ASN A 65 -6.577 18.861 -17.874 1.00 4.03 H new ATOM 0 HB3 ASN A 65 -5.347 18.390 -19.031 1.00 4.03 H new ATOM 0 HD21 ASN A 65 -9.107 17.018 -19.432 1.00 2.32 H new ATOM 0 HD22 ASN A 65 -8.616 18.343 -18.371 1.00 2.32 H new ATOM 988 N VAL A 66 -5.976 15.033 -16.334 1.00 42.22 N ATOM 989 CA VAL A 66 -6.832 14.064 -15.661 1.00 14.43 C ATOM 990 C VAL A 66 -6.594 14.073 -14.155 1.00 11.41 C ATOM 991 O VAL A 66 -5.469 13.884 -13.694 1.00 61.42 O ATOM 992 CB VAL A 66 -6.599 12.640 -16.198 1.00 22.22 C ATOM 993 CG1 VAL A 66 -5.161 12.207 -15.957 1.00 4.23 C ATOM 994 CG2 VAL A 66 -7.573 11.663 -15.557 1.00 22.14 C ATOM 0 H VAL A 66 -5.077 14.660 -16.640 1.00 42.22 H new ATOM 0 HA VAL A 66 -7.862 14.357 -15.865 1.00 14.43 H new ATOM 0 HB VAL A 66 -6.777 12.642 -17.273 1.00 22.22 H new ATOM 0 HG11 VAL A 66 -5.015 11.198 -16.343 1.00 4.23 H new ATOM 0 HG12 VAL A 66 -4.484 12.892 -16.467 1.00 4.23 H new ATOM 0 HG13 VAL A 66 -4.952 12.220 -14.887 1.00 4.23 H new ATOM 0 HG21 VAL A 66 -7.394 10.661 -15.948 1.00 22.14 H new ATOM 0 HG22 VAL A 66 -7.429 11.662 -14.477 1.00 22.14 H new ATOM 0 HG23 VAL A 66 -8.595 11.965 -15.786 1.00 22.14 H new ATOM 1004 N GLN A 67 -7.661 14.295 -13.394 1.00 20.11 N ATOM 1005 CA GLN A 67 -7.567 14.329 -11.939 1.00 73.22 C ATOM 1006 C GLN A 67 -8.503 13.303 -11.309 1.00 75.33 C ATOM 1007 O GLN A 67 -9.222 12.590 -12.010 1.00 35.22 O ATOM 1008 CB GLN A 67 -7.900 15.728 -11.418 1.00 70.10 C ATOM 1009 CG GLN A 67 -9.322 16.169 -11.725 1.00 11.03 C ATOM 1010 CD GLN A 67 -9.394 17.595 -12.235 1.00 24.20 C ATOM 1011 OE1 GLN A 67 -10.131 18.422 -11.698 1.00 41.23 O ATOM 1012 NE2 GLN A 67 -8.626 17.890 -13.277 1.00 44.03 N ATOM 0 H GLN A 67 -8.600 14.454 -13.760 1.00 20.11 H new ATOM 0 HA GLN A 67 -6.543 14.079 -11.660 1.00 73.22 H new ATOM 0 HB2 GLN A 67 -7.746 15.751 -10.339 1.00 70.10 H new ATOM 0 HB3 GLN A 67 -7.204 16.444 -11.854 1.00 70.10 H new ATOM 0 HG2 GLN A 67 -9.753 15.499 -12.469 1.00 11.03 H new ATOM 0 HG3 GLN A 67 -9.929 16.078 -10.824 1.00 11.03 H new ATOM 0 HE21 GLN A 67 -8.030 17.173 -13.691 1.00 44.03 H new ATOM 0 HE22 GLN A 67 -8.632 18.834 -13.664 1.00 44.03 H new ATOM 1021 N LYS A 68 -8.490 13.232 -9.983 1.00 4.44 N ATOM 1022 CA LYS A 68 -9.338 12.294 -9.257 1.00 4.44 C ATOM 1023 C LYS A 68 -10.813 12.627 -9.457 1.00 64.12 C ATOM 1024 O LYS A 68 -11.668 11.743 -9.416 1.00 10.43 O ATOM 1025 CB LYS A 68 -8.997 12.317 -7.765 1.00 31.52 C ATOM 1026 CG LYS A 68 -9.835 11.359 -6.935 1.00 54.24 C ATOM 1027 CD LYS A 68 -9.584 9.913 -7.329 1.00 4.34 C ATOM 1028 CE LYS A 68 -8.613 9.237 -6.373 1.00 65.21 C ATOM 1029 NZ LYS A 68 -9.154 9.169 -4.988 1.00 10.55 N ATOM 0 H LYS A 68 -7.900 13.814 -9.388 1.00 4.44 H new ATOM 0 HA LYS A 68 -9.153 11.295 -9.651 1.00 4.44 H new ATOM 0 HB2 LYS A 68 -7.943 12.069 -7.638 1.00 31.52 H new ATOM 0 HB3 LYS A 68 -9.134 13.329 -7.385 1.00 31.52 H new ATOM 0 HG2 LYS A 68 -9.604 11.494 -5.878 1.00 54.24 H new ATOM 0 HG3 LYS A 68 -10.892 11.594 -7.063 1.00 54.24 H new ATOM 0 HD2 LYS A 68 -10.528 9.368 -7.337 1.00 4.34 H new ATOM 0 HD3 LYS A 68 -9.185 9.875 -8.343 1.00 4.34 H new ATOM 0 HE2 LYS A 68 -8.396 8.229 -6.728 1.00 65.21 H new ATOM 0 HE3 LYS A 68 -7.670 9.783 -6.368 1.00 65.21 H new ATOM 0 HZ1 LYS A 68 -8.762 8.337 -4.503 1.00 10.55 H new ATOM 0 HZ2 LYS A 68 -8.888 10.030 -4.469 1.00 10.55 H new ATOM 0 HZ3 LYS A 68 -10.191 9.093 -5.024 1.00 10.55 H new ATOM 1043 N GLU A 69 -11.102 13.906 -9.676 1.00 20.10 N ATOM 1044 CA GLU A 69 -12.474 14.353 -9.884 1.00 12.23 C ATOM 1045 C GLU A 69 -12.534 15.451 -10.942 1.00 13.11 C ATOM 1046 O GLU A 69 -12.669 16.632 -10.620 1.00 20.50 O ATOM 1047 CB GLU A 69 -13.073 14.862 -8.571 1.00 5.15 C ATOM 1048 CG GLU A 69 -12.162 15.816 -7.816 1.00 25.53 C ATOM 1049 CD GLU A 69 -12.931 16.803 -6.960 1.00 40.34 C ATOM 1050 OE1 GLU A 69 -13.660 16.358 -6.050 1.00 10.44 O ATOM 1051 OE2 GLU A 69 -12.803 18.022 -7.202 1.00 73.14 O ATOM 0 H GLU A 69 -10.405 14.650 -9.714 1.00 20.10 H new ATOM 0 HA GLU A 69 -13.057 13.501 -10.235 1.00 12.23 H new ATOM 0 HB2 GLU A 69 -14.017 15.365 -8.783 1.00 5.15 H new ATOM 0 HB3 GLU A 69 -13.303 14.010 -7.932 1.00 5.15 H new ATOM 0 HG2 GLU A 69 -11.486 15.242 -7.183 1.00 25.53 H new ATOM 0 HG3 GLU A 69 -11.544 16.363 -8.528 1.00 25.53 H new ATOM 1058 N SER A 70 -12.433 15.053 -12.206 1.00 22.31 N ATOM 1059 CA SER A 70 -12.471 16.002 -13.312 1.00 50.10 C ATOM 1060 C SER A 70 -13.877 16.098 -13.897 1.00 43.12 C ATOM 1061 O SER A 70 -14.464 15.094 -14.302 1.00 12.23 O ATOM 1062 CB SER A 70 -11.480 15.588 -14.402 1.00 1.34 C ATOM 1063 OG SER A 70 -10.619 16.661 -14.742 1.00 51.11 O ATOM 0 H SER A 70 -12.324 14.079 -12.490 1.00 22.31 H new ATOM 0 HA SER A 70 -12.188 16.982 -12.927 1.00 50.10 H new ATOM 0 HB2 SER A 70 -10.890 14.739 -14.058 1.00 1.34 H new ATOM 0 HB3 SER A 70 -12.024 15.260 -15.287 1.00 1.34 H new ATOM 0 HG SER A 70 -9.994 16.371 -15.439 1.00 51.11 H new ATOM 1069 N THR A 71 -14.412 17.314 -13.939 1.00 42.51 N ATOM 1070 CA THR A 71 -15.748 17.544 -14.473 1.00 74.50 C ATOM 1071 C THR A 71 -15.693 17.937 -15.945 1.00 4.13 C ATOM 1072 O THR A 71 -15.169 18.996 -16.295 1.00 74.45 O ATOM 1073 CB THR A 71 -16.486 18.643 -13.687 1.00 15.42 C ATOM 1074 OG1 THR A 71 -15.550 19.613 -13.204 1.00 41.25 O ATOM 1075 CG2 THR A 71 -17.256 18.049 -12.517 1.00 71.32 C ATOM 0 H THR A 71 -13.940 18.156 -13.609 1.00 42.51 H new ATOM 0 HA THR A 71 -16.294 16.606 -14.371 1.00 74.50 H new ATOM 0 HB THR A 71 -17.195 19.125 -14.360 1.00 15.42 H new ATOM 0 HG1 THR A 71 -16.028 20.309 -12.707 1.00 41.25 H new ATOM 0 HG21 THR A 71 -17.769 18.845 -11.977 1.00 71.32 H new ATOM 0 HG22 THR A 71 -17.988 17.333 -12.889 1.00 71.32 H new ATOM 0 HG23 THR A 71 -16.563 17.543 -11.845 1.00 71.32 H new ATOM 1083 N LEU A 72 -16.235 17.080 -16.802 1.00 71.13 N ATOM 1084 CA LEU A 72 -16.248 17.339 -18.238 1.00 21.30 C ATOM 1085 C LEU A 72 -17.667 17.260 -18.793 1.00 4.22 C ATOM 1086 O LEU A 72 -18.521 16.564 -18.244 1.00 73.34 O ATOM 1087 CB LEU A 72 -15.348 16.338 -18.965 1.00 22.14 C ATOM 1088 CG LEU A 72 -16.040 15.094 -19.522 1.00 74.12 C ATOM 1089 CD1 LEU A 72 -16.411 15.299 -20.983 1.00 23.31 C ATOM 1090 CD2 LEU A 72 -15.149 13.871 -19.362 1.00 74.34 C ATOM 0 H LEU A 72 -16.671 16.200 -16.528 1.00 71.13 H new ATOM 0 HA LEU A 72 -15.868 18.347 -18.404 1.00 21.30 H new ATOM 0 HB2 LEU A 72 -14.855 16.855 -19.789 1.00 22.14 H new ATOM 0 HB3 LEU A 72 -14.566 16.017 -18.277 1.00 22.14 H new ATOM 0 HG LEU A 72 -16.956 14.927 -18.956 1.00 74.12 H new ATOM 0 HD11 LEU A 72 -16.903 14.403 -21.363 1.00 23.31 H new ATOM 0 HD12 LEU A 72 -17.088 16.149 -21.071 1.00 23.31 H new ATOM 0 HD13 LEU A 72 -15.509 15.492 -21.564 1.00 23.31 H new ATOM 0 HD21 LEU A 72 -15.658 12.995 -19.764 1.00 74.34 H new ATOM 0 HD22 LEU A 72 -14.215 14.028 -19.902 1.00 74.34 H new ATOM 0 HD23 LEU A 72 -14.935 13.713 -18.305 1.00 74.34 H new ATOM 1102 N HIS A 73 -17.910 17.977 -19.885 1.00 42.53 N ATOM 1103 CA HIS A 73 -19.225 17.987 -20.517 1.00 24.24 C ATOM 1104 C HIS A 73 -19.276 16.999 -21.679 1.00 13.43 C ATOM 1105 O HIS A 73 -18.515 17.116 -22.640 1.00 71.41 O ATOM 1106 CB HIS A 73 -19.566 19.393 -21.011 1.00 73.41 C ATOM 1107 CG HIS A 73 -19.401 20.452 -19.966 1.00 4.15 C ATOM 1108 ND1 HIS A 73 -19.119 21.768 -20.266 1.00 1.14 N ATOM 1109 CD2 HIS A 73 -19.480 20.384 -18.616 1.00 53.20 C ATOM 1110 CE1 HIS A 73 -19.031 22.464 -19.146 1.00 23.41 C ATOM 1111 NE2 HIS A 73 -19.246 21.647 -18.130 1.00 54.23 N ATOM 0 H HIS A 73 -17.214 18.559 -20.351 1.00 42.53 H new ATOM 0 HA HIS A 73 -19.962 17.684 -19.773 1.00 24.24 H new ATOM 0 HB2 HIS A 73 -18.931 19.633 -21.863 1.00 73.41 H new ATOM 0 HB3 HIS A 73 -20.596 19.404 -21.368 1.00 73.41 H new ATOM 0 HD2 HIS A 73 -19.688 19.501 -18.030 1.00 53.20 H new ATOM 0 HE1 HIS A 73 -18.819 23.521 -19.073 1.00 23.41 H new ATOM 0 HE2 HIS A 73 -19.239 21.911 -17.145 1.00 54.23 H new ATOM 1119 N LEU A 74 -20.178 16.028 -21.584 1.00 5.14 N ATOM 1120 CA LEU A 74 -20.328 15.019 -22.627 1.00 13.44 C ATOM 1121 C LEU A 74 -21.638 15.211 -23.384 1.00 51.24 C ATOM 1122 O LEU A 74 -22.721 15.108 -22.809 1.00 14.22 O ATOM 1123 CB LEU A 74 -20.278 13.617 -22.018 1.00 75.12 C ATOM 1124 CG LEU A 74 -20.749 12.476 -22.922 1.00 3.35 C ATOM 1125 CD1 LEU A 74 -20.015 12.513 -24.253 1.00 71.12 C ATOM 1126 CD2 LEU A 74 -20.545 11.134 -22.235 1.00 61.40 C ATOM 0 H LEU A 74 -20.816 15.918 -20.796 1.00 5.14 H new ATOM 0 HA LEU A 74 -19.503 15.132 -23.330 1.00 13.44 H new ATOM 0 HB2 LEU A 74 -19.252 13.412 -21.712 1.00 75.12 H new ATOM 0 HB3 LEU A 74 -20.887 13.613 -21.114 1.00 75.12 H new ATOM 0 HG LEU A 74 -21.814 12.605 -23.114 1.00 3.35 H new ATOM 0 HD11 LEU A 74 -20.363 11.694 -24.883 1.00 71.12 H new ATOM 0 HD12 LEU A 74 -20.212 13.463 -24.751 1.00 71.12 H new ATOM 0 HD13 LEU A 74 -18.944 12.409 -24.081 1.00 71.12 H new ATOM 0 HD21 LEU A 74 -20.885 10.334 -22.892 1.00 61.40 H new ATOM 0 HD22 LEU A 74 -19.487 10.996 -22.013 1.00 61.40 H new ATOM 0 HD23 LEU A 74 -21.117 11.110 -21.307 1.00 61.40 H new ATOM 1138 N VAL A 75 -21.531 15.489 -24.680 1.00 71.20 N ATOM 1139 CA VAL A 75 -22.707 15.691 -25.518 1.00 41.50 C ATOM 1140 C VAL A 75 -22.857 14.566 -26.535 1.00 75.11 C ATOM 1141 O VAL A 75 -21.882 14.138 -27.153 1.00 63.11 O ATOM 1142 CB VAL A 75 -22.639 17.037 -26.264 1.00 40.23 C ATOM 1143 CG1 VAL A 75 -22.725 18.197 -25.284 1.00 30.34 C ATOM 1144 CG2 VAL A 75 -21.366 17.123 -27.093 1.00 73.42 C ATOM 0 H VAL A 75 -20.642 15.579 -25.172 1.00 71.20 H new ATOM 0 HA VAL A 75 -23.572 15.694 -24.855 1.00 41.50 H new ATOM 0 HB VAL A 75 -23.492 17.100 -26.940 1.00 40.23 H new ATOM 0 HG11 VAL A 75 -22.675 19.139 -25.830 1.00 30.34 H new ATOM 0 HG12 VAL A 75 -23.667 18.143 -24.738 1.00 30.34 H new ATOM 0 HG13 VAL A 75 -21.894 18.141 -24.580 1.00 30.34 H new ATOM 0 HG21 VAL A 75 -21.335 18.080 -27.613 1.00 73.42 H new ATOM 0 HG22 VAL A 75 -20.499 17.037 -26.438 1.00 73.42 H new ATOM 0 HG23 VAL A 75 -21.351 16.313 -27.822 1.00 73.42 H new ATOM 1154 N LEU A 76 -24.086 14.090 -26.705 1.00 11.10 N ATOM 1155 CA LEU A 76 -24.366 13.013 -27.649 1.00 1.34 C ATOM 1156 C LEU A 76 -25.433 13.434 -28.654 1.00 70.00 C ATOM 1157 O LEU A 76 -26.432 14.056 -28.291 1.00 23.43 O ATOM 1158 CB LEU A 76 -24.820 11.758 -26.901 1.00 1.52 C ATOM 1159 CG LEU A 76 -24.572 11.750 -25.392 1.00 34.11 C ATOM 1160 CD1 LEU A 76 -25.713 12.441 -24.660 1.00 63.41 C ATOM 1161 CD2 LEU A 76 -24.399 10.325 -24.888 1.00 64.40 C ATOM 0 H LEU A 76 -24.904 14.433 -26.202 1.00 11.10 H new ATOM 0 HA LEU A 76 -23.448 12.792 -28.193 1.00 1.34 H new ATOM 0 HB2 LEU A 76 -25.888 11.622 -27.074 1.00 1.52 H new ATOM 0 HB3 LEU A 76 -24.314 10.896 -27.337 1.00 1.52 H new ATOM 0 HG LEU A 76 -23.652 12.300 -25.191 1.00 34.11 H new ATOM 0 HD11 LEU A 76 -25.519 12.426 -23.587 1.00 63.41 H new ATOM 0 HD12 LEU A 76 -25.791 13.474 -25.000 1.00 63.41 H new ATOM 0 HD13 LEU A 76 -26.647 11.919 -24.867 1.00 63.41 H new ATOM 0 HD21 LEU A 76 -24.223 10.338 -23.812 1.00 64.40 H new ATOM 0 HD22 LEU A 76 -25.301 9.752 -25.101 1.00 64.40 H new ATOM 0 HD23 LEU A 76 -23.548 9.863 -25.389 1.00 64.40 H new ATOM 1173 N ARG A 77 -25.216 13.089 -29.919 1.00 3.01 N ATOM 1174 CA ARG A 77 -26.159 13.430 -30.977 1.00 32.02 C ATOM 1175 C ARG A 77 -26.994 12.216 -31.373 1.00 32.33 C ATOM 1176 O ARG A 77 -27.248 11.982 -32.555 1.00 54.41 O ATOM 1177 CB ARG A 77 -25.415 13.971 -32.199 1.00 24.32 C ATOM 1178 CG ARG A 77 -24.853 15.369 -32.000 1.00 54.25 C ATOM 1179 CD ARG A 77 -23.388 15.329 -31.594 1.00 55.24 C ATOM 1180 NE ARG A 77 -22.694 16.569 -31.929 1.00 44.41 N ATOM 1181 CZ ARG A 77 -21.376 16.719 -31.847 1.00 73.10 C ATOM 1182 NH1 ARG A 77 -20.615 15.711 -31.444 1.00 32.11 N ATOM 1183 NH2 ARG A 77 -20.818 17.879 -32.169 1.00 64.41 N ATOM 0 H ARG A 77 -24.395 12.573 -30.236 1.00 3.01 H new ATOM 0 HA ARG A 77 -26.828 14.202 -30.597 1.00 32.02 H new ATOM 0 HB2 ARG A 77 -24.599 13.292 -32.447 1.00 24.32 H new ATOM 0 HB3 ARG A 77 -26.093 13.979 -33.052 1.00 24.32 H new ATOM 0 HG2 ARG A 77 -24.960 15.940 -32.922 1.00 54.25 H new ATOM 0 HG3 ARG A 77 -25.430 15.888 -31.235 1.00 54.25 H new ATOM 0 HD2 ARG A 77 -23.314 15.150 -30.521 1.00 55.24 H new ATOM 0 HD3 ARG A 77 -22.897 14.493 -32.091 1.00 55.24 H new ATOM 0 HE ARG A 77 -23.251 17.364 -32.243 1.00 44.41 H new ATOM 0 HH11 ARG A 77 -21.041 14.818 -31.196 1.00 32.11 H new ATOM 0 HH12 ARG A 77 -19.604 15.829 -31.382 1.00 32.11 H new ATOM 0 HH21 ARG A 77 -21.401 18.656 -32.480 1.00 64.41 H new ATOM 0 HH22 ARG A 77 -19.806 17.993 -32.106 1.00 64.41 H new