USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=20 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 X(o=0.88,f=0.8) USER MOD Set 1.2: A 70 SER OG : rot 171:sc= 0.877 USER MOD Set 2.1: A 61 MET CE :methyl -176:sc= 0 (180deg=-0.00691) USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 53 LYS NZ :NH3+ 146:sc= -0.0181 (180deg=0) USER MOD Set 3.2: A 59 ASN : amide:sc= -4.1! C(o=-4.1!,f=-4.9!) USER MOD Set 4.1: A 12 THR OG1 : rot 122:sc= 0.00463 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0.8 USER MOD Set 5.1: A 11 LYS NZ :NH3+ -149:sc=-0.00779 (180deg=0) USER MOD Set 5.2: A 73 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-4.3!) USER MOD Single : A 6 MET CE :methyl 158:sc= -0.366 (180deg=-1.28) USER MOD Single : A 7 GLN : amide:sc= -2.64 K(o=-2.6,f=-8.4!) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00784) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 19 THR OG1 : rot -71:sc= 1.42 USER MOD Single : A 24 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-0.74) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 32 LYS NZ :NH3+ 137:sc= -0.618 (180deg=-1.5) 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+ -179:sc= -0.0263 (180deg=-0.0297) USER MOD Single : A 45 GLN : amide:sc= -1.65 X(o=-1.7,f=-2.1!) USER MOD Single : A 46 GLN : amide:sc= -5.22 K(o=-5.2,f=-12!) USER MOD Single : A 54 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.5) USER MOD Single : A 58 SER OG : rot -48:sc= 0.335 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.315 F(o=-2.2,f=-0.32) USER MOD Single : A 68 LYS NZ :NH3+ 153:sc= -0.156 (180deg=-0.825) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0405 USER MOD ----------------------------------------------------------------- ATOM 59 N MET A 6 -7.144 7.618 -10.941 1.00 30.44 N ATOM 60 CA MET A 6 -7.926 8.845 -10.851 1.00 10.33 C ATOM 61 C MET A 6 -9.241 8.709 -11.612 1.00 0.12 C ATOM 62 O MET A 6 -9.257 8.297 -12.771 1.00 63.12 O ATOM 63 CB MET A 6 -7.125 10.027 -11.401 1.00 21.13 C ATOM 64 CG MET A 6 -6.734 9.869 -12.861 1.00 23.20 C ATOM 65 SD MET A 6 -4.993 10.234 -13.157 1.00 61.31 S ATOM 66 CE MET A 6 -4.209 9.061 -12.054 1.00 63.41 C ATOM 0 HA MET A 6 -8.152 9.026 -9.800 1.00 10.33 H new ATOM 0 HB2 MET A 6 -7.713 10.938 -11.287 1.00 21.13 H new ATOM 0 HB3 MET A 6 -6.222 10.153 -10.803 1.00 21.13 H new ATOM 0 HG2 MET A 6 -6.947 8.849 -13.182 1.00 23.20 H new ATOM 0 HG3 MET A 6 -7.349 10.530 -13.471 1.00 23.20 H new ATOM 0 HE1 MET A 6 -3.187 8.878 -12.385 1.00 63.41 H new ATOM 0 HE2 MET A 6 -4.196 9.466 -11.042 1.00 63.41 H new ATOM 0 HE3 MET A 6 -4.766 8.124 -12.063 1.00 63.41 H new ATOM 76 N GLN A 7 -10.341 9.058 -10.952 1.00 25.24 N ATOM 77 CA GLN A 7 -11.660 8.973 -11.567 1.00 23.10 C ATOM 78 C GLN A 7 -12.062 10.311 -12.178 1.00 72.24 C ATOM 79 O GLN A 7 -11.548 11.361 -11.791 1.00 71.34 O ATOM 80 CB GLN A 7 -12.700 8.537 -10.534 1.00 74.12 C ATOM 81 CG GLN A 7 -12.202 7.459 -9.585 1.00 44.14 C ATOM 82 CD GLN A 7 -11.543 8.032 -8.346 1.00 33.13 C ATOM 83 OE1 GLN A 7 -11.491 9.248 -8.162 1.00 40.43 O ATOM 84 NE2 GLN A 7 -11.036 7.156 -7.486 1.00 13.01 N ATOM 0 H GLN A 7 -10.345 9.402 -9.992 1.00 25.24 H new ATOM 0 HA GLN A 7 -11.616 8.230 -12.363 1.00 23.10 H new ATOM 0 HB2 GLN A 7 -13.009 9.406 -9.953 1.00 74.12 H new ATOM 0 HB3 GLN A 7 -13.585 8.170 -11.054 1.00 74.12 H new ATOM 0 HG2 GLN A 7 -13.039 6.827 -9.288 1.00 44.14 H new ATOM 0 HG3 GLN A 7 -11.490 6.820 -10.108 1.00 44.14 H new ATOM 0 HE21 GLN A 7 -11.101 6.156 -7.678 1.00 13.01 H new ATOM 0 HE22 GLN A 7 -10.581 7.483 -6.633 1.00 13.01 H new ATOM 93 N ILE A 8 -12.984 10.265 -13.135 1.00 4.43 N ATOM 94 CA ILE A 8 -13.455 11.474 -13.799 1.00 11.34 C ATOM 95 C ILE A 8 -14.978 11.545 -13.796 1.00 33.42 C ATOM 96 O ILE A 8 -15.657 10.529 -13.645 1.00 72.41 O ATOM 97 CB ILE A 8 -12.952 11.551 -15.252 1.00 45.21 C ATOM 98 CG1 ILE A 8 -12.089 10.331 -15.581 1.00 74.24 C ATOM 99 CG2 ILE A 8 -12.167 12.836 -15.474 1.00 33.24 C ATOM 100 CD1 ILE A 8 -11.709 10.236 -17.042 1.00 51.04 C ATOM 0 H ILE A 8 -13.419 9.404 -13.467 1.00 4.43 H new ATOM 0 HA ILE A 8 -13.053 12.318 -13.239 1.00 11.34 H new ATOM 0 HB ILE A 8 -13.814 11.555 -15.919 1.00 45.21 H new ATOM 0 HG12 ILE A 8 -11.181 10.366 -14.979 1.00 74.24 H new ATOM 0 HG13 ILE A 8 -12.627 9.427 -15.294 1.00 74.24 H new ATOM 0 HG21 ILE A 8 -11.818 12.876 -16.506 1.00 33.24 H new ATOM 0 HG22 ILE A 8 -12.809 13.694 -15.275 1.00 33.24 H new ATOM 0 HG23 ILE A 8 -11.310 12.860 -14.800 1.00 33.24 H new ATOM 0 HD11 ILE A 8 -11.098 9.348 -17.202 1.00 51.04 H new ATOM 0 HD12 ILE A 8 -12.612 10.170 -17.649 1.00 51.04 H new ATOM 0 HD13 ILE A 8 -11.143 11.122 -17.329 1.00 51.04 H new ATOM 112 N PHE A 9 -15.510 12.751 -13.965 1.00 62.32 N ATOM 113 CA PHE A 9 -16.954 12.954 -13.983 1.00 43.32 C ATOM 114 C PHE A 9 -17.429 13.356 -15.376 1.00 40.14 C ATOM 115 O PHE A 9 -16.933 14.320 -15.960 1.00 21.00 O ATOM 116 CB PHE A 9 -17.352 14.027 -12.967 1.00 45.02 C ATOM 117 CG PHE A 9 -17.511 13.500 -11.570 1.00 24.41 C ATOM 118 CD1 PHE A 9 -18.673 12.848 -11.190 1.00 24.35 C ATOM 119 CD2 PHE A 9 -16.498 13.655 -10.637 1.00 51.20 C ATOM 120 CE1 PHE A 9 -18.822 12.362 -9.904 1.00 42.22 C ATOM 121 CE2 PHE A 9 -16.641 13.171 -9.350 1.00 55.32 C ATOM 122 CZ PHE A 9 -17.805 12.523 -8.984 1.00 4.13 C ATOM 0 H PHE A 9 -14.963 13.602 -14.091 1.00 62.32 H new ATOM 0 HA PHE A 9 -17.432 12.012 -13.713 1.00 43.32 H new ATOM 0 HB2 PHE A 9 -16.597 14.813 -12.966 1.00 45.02 H new ATOM 0 HB3 PHE A 9 -18.289 14.485 -13.283 1.00 45.02 H new ATOM 0 HD1 PHE A 9 -19.471 12.718 -11.906 1.00 24.35 H new ATOM 0 HD2 PHE A 9 -15.586 14.160 -10.919 1.00 51.20 H new ATOM 0 HE1 PHE A 9 -19.733 11.857 -9.619 1.00 42.22 H new ATOM 0 HE2 PHE A 9 -15.844 13.299 -8.632 1.00 55.32 H new ATOM 0 HZ PHE A 9 -17.919 12.143 -7.980 1.00 4.13 H new ATOM 132 N VAL A 10 -18.394 12.609 -15.904 1.00 43.43 N ATOM 133 CA VAL A 10 -18.937 12.887 -17.228 1.00 73.14 C ATOM 134 C VAL A 10 -20.397 13.319 -17.144 1.00 3.53 C ATOM 135 O VAL A 10 -21.222 12.644 -16.528 1.00 4.12 O ATOM 136 CB VAL A 10 -18.831 11.656 -18.148 1.00 63.11 C ATOM 137 CG1 VAL A 10 -18.657 12.085 -19.597 1.00 54.20 C ATOM 138 CG2 VAL A 10 -17.683 10.760 -17.708 1.00 3.32 C ATOM 0 H VAL A 10 -18.815 11.807 -15.435 1.00 43.43 H new ATOM 0 HA VAL A 10 -18.344 13.699 -17.649 1.00 73.14 H new ATOM 0 HB VAL A 10 -19.757 11.086 -18.071 1.00 63.11 H new ATOM 0 HG11 VAL A 10 -18.584 11.202 -20.232 1.00 54.20 H new ATOM 0 HG12 VAL A 10 -19.515 12.683 -19.905 1.00 54.20 H new ATOM 0 HG13 VAL A 10 -17.748 12.678 -19.694 1.00 54.20 H new ATOM 0 HG21 VAL A 10 -17.623 9.895 -18.369 1.00 3.32 H new ATOM 0 HG22 VAL A 10 -16.748 11.318 -17.754 1.00 3.32 H new ATOM 0 HG23 VAL A 10 -17.855 10.424 -16.685 1.00 3.32 H new ATOM 148 N LYS A 11 -20.710 14.450 -17.767 1.00 40.31 N ATOM 149 CA LYS A 11 -22.071 14.974 -17.765 1.00 3.21 C ATOM 150 C LYS A 11 -22.721 14.804 -19.134 1.00 13.30 C ATOM 151 O LYS A 11 -22.290 15.407 -20.118 1.00 22.24 O ATOM 152 CB LYS A 11 -22.069 16.452 -17.369 1.00 13.50 C ATOM 153 CG LYS A 11 -23.392 17.153 -17.627 1.00 72.54 C ATOM 154 CD LYS A 11 -23.331 18.621 -17.240 1.00 72.41 C ATOM 155 CE LYS A 11 -22.991 19.498 -18.435 1.00 2.43 C ATOM 156 NZ LYS A 11 -23.063 20.947 -18.097 1.00 1.00 N ATOM 0 H LYS A 11 -20.039 15.022 -18.280 1.00 40.31 H new ATOM 0 HA LYS A 11 -22.651 14.409 -17.035 1.00 3.21 H new ATOM 0 HB2 LYS A 11 -21.824 16.535 -16.310 1.00 13.50 H new ATOM 0 HB3 LYS A 11 -21.282 16.966 -17.920 1.00 13.50 H new ATOM 0 HG2 LYS A 11 -23.652 17.065 -18.682 1.00 72.54 H new ATOM 0 HG3 LYS A 11 -24.182 16.659 -17.062 1.00 72.54 H new ATOM 0 HD2 LYS A 11 -24.290 18.929 -16.823 1.00 72.41 H new ATOM 0 HD3 LYS A 11 -22.583 18.762 -16.459 1.00 72.41 H new ATOM 0 HE2 LYS A 11 -21.989 19.257 -18.789 1.00 2.43 H new ATOM 0 HE3 LYS A 11 -23.679 19.281 -19.252 1.00 2.43 H new ATOM 0 HZ1 LYS A 11 -23.348 21.486 -18.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -23.761 21.093 -17.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -22.130 21.275 -17.775 1.00 1.00 H new ATOM 170 N THR A 12 -23.764 13.981 -19.191 1.00 24.11 N ATOM 171 CA THR A 12 -24.474 13.732 -20.439 1.00 1.30 C ATOM 172 C THR A 12 -25.344 14.924 -20.823 1.00 62.42 C ATOM 173 O THR A 12 -25.676 15.760 -19.982 1.00 71.11 O ATOM 174 CB THR A 12 -25.359 12.475 -20.341 1.00 2.31 C ATOM 175 OG1 THR A 12 -26.511 12.749 -19.536 1.00 31.10 O ATOM 176 CG2 THR A 12 -24.582 11.312 -19.744 1.00 62.41 C ATOM 0 H THR A 12 -24.135 13.476 -18.387 1.00 24.11 H new ATOM 0 HA THR A 12 -23.717 13.575 -21.208 1.00 1.30 H new ATOM 0 HB THR A 12 -25.676 12.201 -21.347 1.00 2.31 H new ATOM 0 HG1 THR A 12 -27.323 12.583 -20.059 1.00 31.10 H new ATOM 0 HG21 THR A 12 -25.227 10.436 -19.685 1.00 62.41 H new ATOM 0 HG22 THR A 12 -23.722 11.087 -20.375 1.00 62.41 H new ATOM 0 HG23 THR A 12 -24.239 11.578 -18.744 1.00 62.41 H new ATOM 184 N LEU A 13 -25.711 14.995 -22.098 1.00 3.41 N ATOM 185 CA LEU A 13 -26.544 16.085 -22.594 1.00 41.31 C ATOM 186 C LEU A 13 -27.877 16.132 -21.854 1.00 2.11 C ATOM 187 O LEU A 13 -28.567 17.152 -21.858 1.00 41.11 O ATOM 188 CB LEU A 13 -26.787 15.925 -24.096 1.00 21.12 C ATOM 189 CG LEU A 13 -27.406 17.128 -24.808 1.00 35.13 C ATOM 190 CD1 LEU A 13 -26.588 17.502 -26.034 1.00 11.44 C ATOM 191 CD2 LEU A 13 -28.848 16.834 -25.196 1.00 70.51 C ATOM 0 H LEU A 13 -25.445 14.311 -22.807 1.00 3.41 H new ATOM 0 HA LEU A 13 -26.017 17.022 -22.415 1.00 41.31 H new ATOM 0 HB2 LEU A 13 -25.835 15.695 -24.575 1.00 21.12 H new ATOM 0 HB3 LEU A 13 -27.437 15.064 -24.249 1.00 21.12 H new ATOM 0 HG LEU A 13 -27.401 17.974 -24.121 1.00 35.13 H new ATOM 0 HD11 LEU A 13 -27.044 18.360 -26.528 1.00 11.44 H new ATOM 0 HD12 LEU A 13 -25.572 17.755 -25.730 1.00 11.44 H new ATOM 0 HD13 LEU A 13 -26.561 16.659 -26.724 1.00 11.44 H new ATOM 0 HD21 LEU A 13 -29.273 17.701 -25.702 1.00 70.51 H new ATOM 0 HD22 LEU A 13 -28.877 15.974 -25.865 1.00 70.51 H new ATOM 0 HD23 LEU A 13 -29.429 16.616 -24.300 1.00 70.51 H new ATOM 203 N THR A 14 -28.233 15.021 -21.216 1.00 53.23 N ATOM 204 CA THR A 14 -29.482 14.935 -20.471 1.00 15.44 C ATOM 205 C THR A 14 -29.268 15.270 -18.999 1.00 14.21 C ATOM 206 O THR A 14 -30.153 15.061 -18.170 1.00 25.45 O ATOM 207 CB THR A 14 -30.107 13.532 -20.580 1.00 60.44 C ATOM 208 OG1 THR A 14 -29.195 12.549 -20.077 1.00 70.01 O ATOM 209 CG2 THR A 14 -30.462 13.209 -22.024 1.00 34.21 C ATOM 0 H THR A 14 -27.673 14.168 -21.201 1.00 53.23 H new ATOM 0 HA THR A 14 -30.163 15.663 -20.912 1.00 15.44 H new ATOM 0 HB THR A 14 -31.020 13.518 -19.985 1.00 60.44 H new ATOM 0 HG1 THR A 14 -29.600 11.660 -20.148 1.00 70.01 H new ATOM 0 HG21 THR A 14 -30.902 12.213 -22.076 1.00 34.21 H new ATOM 0 HG22 THR A 14 -31.178 13.942 -22.395 1.00 34.21 H new ATOM 0 HG23 THR A 14 -29.561 13.240 -22.636 1.00 34.21 H new ATOM 217 N GLY A 15 -28.088 15.793 -18.681 1.00 63.21 N ATOM 218 CA GLY A 15 -27.779 16.149 -17.308 1.00 73.25 C ATOM 219 C GLY A 15 -27.607 14.934 -16.419 1.00 31.40 C ATOM 220 O GLY A 15 -28.309 14.782 -15.419 1.00 74.42 O ATOM 0 H GLY A 15 -27.340 15.977 -19.350 1.00 63.21 H new ATOM 0 HA2 GLY A 15 -26.865 16.743 -17.287 1.00 73.25 H new ATOM 0 HA3 GLY A 15 -28.577 16.776 -16.910 1.00 73.25 H new ATOM 224 N LYS A 16 -26.671 14.064 -16.783 1.00 60.21 N ATOM 225 CA LYS A 16 -26.408 12.855 -16.012 1.00 22.41 C ATOM 226 C LYS A 16 -24.955 12.810 -15.550 1.00 21.52 C ATOM 227 O LYS A 16 -24.035 12.737 -16.365 1.00 44.31 O ATOM 228 CB LYS A 16 -26.727 11.613 -16.847 1.00 73.31 C ATOM 229 CG LYS A 16 -27.314 10.470 -16.037 1.00 72.43 C ATOM 230 CD LYS A 16 -26.226 9.601 -15.428 1.00 51.42 C ATOM 231 CE LYS A 16 -25.458 8.838 -16.497 1.00 14.42 C ATOM 232 NZ LYS A 16 -25.775 7.383 -16.475 1.00 1.51 N ATOM 0 H LYS A 16 -26.081 14.174 -17.608 1.00 60.21 H new ATOM 0 HA LYS A 16 -27.051 12.869 -15.132 1.00 22.41 H new ATOM 0 HB2 LYS A 16 -27.428 11.886 -17.636 1.00 73.31 H new ATOM 0 HB3 LYS A 16 -25.815 11.270 -17.336 1.00 73.31 H new ATOM 0 HG2 LYS A 16 -27.946 10.871 -15.245 1.00 72.43 H new ATOM 0 HG3 LYS A 16 -27.953 9.860 -16.676 1.00 72.43 H new ATOM 0 HD2 LYS A 16 -25.537 10.225 -14.859 1.00 51.42 H new ATOM 0 HD3 LYS A 16 -26.672 8.896 -14.726 1.00 51.42 H new ATOM 0 HE2 LYS A 16 -25.698 9.247 -17.478 1.00 14.42 H new ATOM 0 HE3 LYS A 16 -24.388 8.979 -16.346 1.00 14.42 H new ATOM 0 HZ1 LYS A 16 -25.182 6.888 -17.172 1.00 1.51 H new ATOM 0 HZ2 LYS A 16 -25.586 7.001 -15.526 1.00 1.51 H new ATOM 0 HZ3 LYS A 16 -26.778 7.243 -16.712 1.00 1.51 H new ATOM 246 N THR A 17 -24.755 12.851 -14.236 1.00 43.11 N ATOM 247 CA THR A 17 -23.414 12.815 -13.666 1.00 30.33 C ATOM 248 C THR A 17 -22.965 11.381 -13.409 1.00 23.14 C ATOM 249 O THR A 17 -23.588 10.655 -12.633 1.00 44.11 O ATOM 250 CB THR A 17 -23.343 13.607 -12.347 1.00 1.22 C ATOM 251 OG1 THR A 17 -24.664 13.852 -11.851 1.00 4.04 O ATOM 252 CG2 THR A 17 -22.618 14.929 -12.548 1.00 52.55 C ATOM 0 H THR A 17 -25.505 12.909 -13.547 1.00 43.11 H new ATOM 0 HA THR A 17 -22.748 13.277 -14.395 1.00 30.33 H new ATOM 0 HB THR A 17 -22.787 13.013 -11.621 1.00 1.22 H new ATOM 0 HG1 THR A 17 -24.610 14.354 -11.011 1.00 4.04 H new ATOM 0 HG21 THR A 17 -22.580 15.471 -11.603 1.00 52.55 H new ATOM 0 HG22 THR A 17 -21.603 14.738 -12.898 1.00 52.55 H new ATOM 0 HG23 THR A 17 -23.150 15.527 -13.288 1.00 52.55 H new ATOM 260 N ILE A 18 -21.880 10.979 -14.063 1.00 54.22 N ATOM 261 CA ILE A 18 -21.347 9.632 -13.903 1.00 54.12 C ATOM 262 C ILE A 18 -19.871 9.667 -13.524 1.00 63.43 C ATOM 263 O ILE A 18 -19.111 10.502 -14.016 1.00 0.24 O ATOM 264 CB ILE A 18 -21.516 8.803 -15.190 1.00 53.22 C ATOM 265 CG1 ILE A 18 -20.740 7.489 -15.082 1.00 43.43 C ATOM 266 CG2 ILE A 18 -21.052 9.602 -16.399 1.00 60.41 C ATOM 267 CD1 ILE A 18 -21.021 6.526 -16.214 1.00 51.44 C ATOM 0 H ILE A 18 -21.353 11.567 -14.709 1.00 54.22 H new ATOM 0 HA ILE A 18 -21.915 9.161 -13.101 1.00 54.12 H new ATOM 0 HB ILE A 18 -22.573 8.569 -15.318 1.00 53.22 H new ATOM 0 HG12 ILE A 18 -19.672 7.708 -15.059 1.00 43.43 H new ATOM 0 HG13 ILE A 18 -20.987 7.007 -14.136 1.00 43.43 H new ATOM 0 HG21 ILE A 18 -21.178 9.003 -17.301 1.00 60.41 H new ATOM 0 HG22 ILE A 18 -21.645 10.513 -16.483 1.00 60.41 H new ATOM 0 HG23 ILE A 18 -20.000 9.863 -16.281 1.00 60.41 H new ATOM 0 HD11 ILE A 18 -20.437 5.617 -16.072 1.00 51.44 H new ATOM 0 HD12 ILE A 18 -22.082 6.277 -16.225 1.00 51.44 H new ATOM 0 HD13 ILE A 18 -20.747 6.989 -17.162 1.00 51.44 H new ATOM 279 N THR A 19 -19.469 8.751 -12.648 1.00 4.52 N ATOM 280 CA THR A 19 -18.083 8.676 -12.203 1.00 43.00 C ATOM 281 C THR A 19 -17.414 7.400 -12.701 1.00 32.20 C ATOM 282 O THR A 19 -18.003 6.319 -12.651 1.00 2.44 O ATOM 283 CB THR A 19 -17.982 8.729 -10.667 1.00 11.11 C ATOM 284 OG1 THR A 19 -19.156 9.340 -10.120 1.00 21.02 O ATOM 285 CG2 THR A 19 -16.750 9.507 -10.232 1.00 5.41 C ATOM 0 H THR A 19 -20.084 8.051 -12.233 1.00 4.52 H new ATOM 0 HA THR A 19 -17.569 9.541 -12.623 1.00 43.00 H new ATOM 0 HB THR A 19 -17.897 7.708 -10.295 1.00 11.11 H new ATOM 0 HG1 THR A 19 -19.149 10.299 -10.320 1.00 21.02 H new ATOM 0 HG21 THR A 19 -16.700 9.531 -9.143 1.00 5.41 H new ATOM 0 HG22 THR A 19 -15.856 9.023 -10.626 1.00 5.41 H new ATOM 0 HG23 THR A 19 -16.809 10.526 -10.615 1.00 5.41 H new ATOM 293 N ILE A 20 -16.182 7.531 -13.181 1.00 10.34 N ATOM 294 CA ILE A 20 -15.433 6.387 -13.686 1.00 14.31 C ATOM 295 C ILE A 20 -13.956 6.495 -13.325 1.00 64.25 C ATOM 296 O ILE A 20 -13.335 7.541 -13.513 1.00 42.33 O ATOM 297 CB ILE A 20 -15.569 6.256 -15.214 1.00 53.14 C ATOM 298 CG1 ILE A 20 -15.619 7.640 -15.864 1.00 42.35 C ATOM 299 CG2 ILE A 20 -16.812 5.454 -15.569 1.00 33.23 C ATOM 300 CD1 ILE A 20 -14.938 7.699 -17.214 1.00 72.31 C ATOM 0 H ILE A 20 -15.681 8.418 -13.231 1.00 10.34 H new ATOM 0 HA ILE A 20 -15.855 5.500 -13.215 1.00 14.31 H new ATOM 0 HB ILE A 20 -14.697 5.726 -15.597 1.00 53.14 H new ATOM 0 HG12 ILE A 20 -16.660 7.942 -15.978 1.00 42.35 H new ATOM 0 HG13 ILE A 20 -15.149 8.363 -15.197 1.00 42.35 H new ATOM 0 HG21 ILE A 20 -16.894 5.370 -16.653 1.00 33.23 H new ATOM 0 HG22 ILE A 20 -16.739 4.458 -15.133 1.00 33.23 H new ATOM 0 HG23 ILE A 20 -17.695 5.958 -15.176 1.00 33.23 H new ATOM 0 HD11 ILE A 20 -15.012 8.710 -17.615 1.00 72.31 H new ATOM 0 HD12 ILE A 20 -13.888 7.429 -17.104 1.00 72.31 H new ATOM 0 HD13 ILE A 20 -15.423 7.001 -17.897 1.00 72.31 H new ATOM 312 N ASP A 21 -13.398 5.406 -12.809 1.00 23.34 N ATOM 313 CA ASP A 21 -11.991 5.376 -12.424 1.00 72.24 C ATOM 314 C ASP A 21 -11.103 5.106 -13.635 1.00 2.41 C ATOM 315 O ASP A 21 -11.316 4.144 -14.372 1.00 64.14 O ATOM 316 CB ASP A 21 -11.755 4.308 -11.355 1.00 51.01 C ATOM 317 CG ASP A 21 -12.249 2.940 -11.784 1.00 12.32 C ATOM 318 OD1 ASP A 21 -13.475 2.708 -11.728 1.00 2.40 O ATOM 319 OD2 ASP A 21 -11.410 2.101 -12.174 1.00 51.52 O ATOM 0 H ASP A 21 -13.898 4.532 -12.647 1.00 23.34 H new ATOM 0 HA ASP A 21 -11.731 6.352 -12.014 1.00 72.24 H new ATOM 0 HB2 ASP A 21 -10.690 4.252 -11.130 1.00 51.01 H new ATOM 0 HB3 ASP A 21 -12.260 4.601 -10.435 1.00 51.01 H new ATOM 324 N VAL A 22 -10.107 5.964 -13.834 1.00 63.21 N ATOM 325 CA VAL A 22 -9.186 5.819 -14.955 1.00 63.40 C ATOM 326 C VAL A 22 -7.747 6.074 -14.521 1.00 22.44 C ATOM 327 O VAL A 22 -7.500 6.647 -13.459 1.00 52.04 O ATOM 328 CB VAL A 22 -9.542 6.782 -16.103 1.00 32.12 C ATOM 329 CG1 VAL A 22 -10.989 7.238 -15.987 1.00 44.14 C ATOM 330 CG2 VAL A 22 -8.597 7.974 -16.110 1.00 14.21 C ATOM 0 H VAL A 22 -9.918 6.766 -13.234 1.00 63.21 H new ATOM 0 HA VAL A 22 -9.279 4.793 -15.310 1.00 63.40 H new ATOM 0 HB VAL A 22 -9.428 6.252 -17.049 1.00 32.12 H new ATOM 0 HG11 VAL A 22 -11.223 7.918 -16.806 1.00 44.14 H new ATOM 0 HG12 VAL A 22 -11.649 6.371 -16.035 1.00 44.14 H new ATOM 0 HG13 VAL A 22 -11.133 7.752 -15.037 1.00 44.14 H new ATOM 0 HG21 VAL A 22 -8.863 8.644 -16.927 1.00 14.21 H new ATOM 0 HG22 VAL A 22 -8.677 8.507 -15.163 1.00 14.21 H new ATOM 0 HG23 VAL A 22 -7.573 7.626 -16.245 1.00 14.21 H new ATOM 340 N ASP A 23 -6.800 5.644 -15.348 1.00 11.32 N ATOM 341 CA ASP A 23 -5.384 5.827 -15.050 1.00 53.43 C ATOM 342 C ASP A 23 -4.695 6.621 -16.156 1.00 62.41 C ATOM 343 O ASP A 23 -5.215 6.740 -17.266 1.00 13.23 O ATOM 344 CB ASP A 23 -4.699 4.471 -14.875 1.00 3.52 C ATOM 345 CG ASP A 23 -3.569 4.520 -13.864 1.00 54.25 C ATOM 346 OD1 ASP A 23 -3.035 5.623 -13.625 1.00 50.04 O ATOM 347 OD2 ASP A 23 -3.219 3.455 -13.313 1.00 54.35 O ATOM 0 H ASP A 23 -6.987 5.166 -16.230 1.00 11.32 H new ATOM 0 HA ASP A 23 -5.302 6.389 -14.119 1.00 53.43 H new ATOM 0 HB2 ASP A 23 -5.436 3.733 -14.557 1.00 3.52 H new ATOM 0 HB3 ASP A 23 -4.308 4.138 -15.836 1.00 3.52 H new ATOM 352 N HIS A 24 -3.521 7.162 -15.845 1.00 72.14 N ATOM 353 CA HIS A 24 -2.760 7.945 -16.813 1.00 33.41 C ATOM 354 C HIS A 24 -2.429 7.110 -18.047 1.00 13.33 C ATOM 355 O HIS A 24 -2.085 7.649 -19.098 1.00 52.31 O ATOM 356 CB HIS A 24 -1.472 8.469 -16.177 1.00 35.33 C ATOM 357 CG HIS A 24 -1.255 9.936 -16.386 1.00 20.31 C ATOM 358 ND1 HIS A 24 -0.191 10.444 -17.100 1.00 50.44 N ATOM 359 CD2 HIS A 24 -1.973 11.005 -15.971 1.00 13.21 C ATOM 360 CE1 HIS A 24 -0.263 11.763 -17.114 1.00 54.44 C ATOM 361 NE2 HIS A 24 -1.336 12.129 -16.436 1.00 52.14 N ATOM 0 H HIS A 24 -3.076 7.073 -14.931 1.00 72.14 H new ATOM 0 HA HIS A 24 -3.374 8.791 -17.122 1.00 33.41 H new ATOM 0 HB2 HIS A 24 -1.495 8.262 -15.107 1.00 35.33 H new ATOM 0 HB3 HIS A 24 -0.624 7.922 -16.590 1.00 35.33 H new ATOM 0 HD2 HIS A 24 -2.879 10.979 -15.383 1.00 13.21 H new ATOM 0 HE1 HIS A 24 0.436 12.429 -17.598 1.00 54.44 H new ATOM 0 HE2 HIS A 24 -1.642 13.090 -16.283 1.00 52.14 H new ATOM 369 N ALA A 25 -2.535 5.793 -17.910 1.00 31.32 N ATOM 370 CA ALA A 25 -2.248 4.885 -19.013 1.00 72.43 C ATOM 371 C ALA A 25 -3.505 4.594 -19.826 1.00 34.10 C ATOM 372 O ALA A 25 -3.491 3.762 -20.733 1.00 61.13 O ATOM 373 CB ALA A 25 -1.646 3.590 -18.488 1.00 63.23 C ATOM 0 H ALA A 25 -2.818 5.331 -17.046 1.00 31.32 H new ATOM 0 HA ALA A 25 -1.525 5.369 -19.670 1.00 72.43 H new ATOM 0 HB1 ALA A 25 -1.437 2.921 -19.323 1.00 63.23 H new ATOM 0 HB2 ALA A 25 -0.719 3.808 -17.957 1.00 63.23 H new ATOM 0 HB3 ALA A 25 -2.350 3.111 -17.807 1.00 63.23 H new ATOM 379 N ASP A 26 -4.591 5.284 -19.494 1.00 71.24 N ATOM 380 CA ASP A 26 -5.857 5.100 -20.194 1.00 73.31 C ATOM 381 C ASP A 26 -6.209 6.337 -21.015 1.00 35.43 C ATOM 382 O ASP A 26 -6.357 7.433 -20.474 1.00 2.21 O ATOM 383 CB ASP A 26 -6.977 4.799 -19.196 1.00 63.44 C ATOM 384 CG ASP A 26 -6.751 3.500 -18.447 1.00 42.13 C ATOM 385 OD1 ASP A 26 -6.078 3.531 -17.396 1.00 0.40 O ATOM 386 OD2 ASP A 26 -7.246 2.452 -18.913 1.00 12.22 O ATOM 0 H ASP A 26 -4.620 5.976 -18.745 1.00 71.24 H new ATOM 0 HA ASP A 26 -5.749 4.254 -20.873 1.00 73.31 H new ATOM 0 HB2 ASP A 26 -7.053 5.619 -18.481 1.00 63.44 H new ATOM 0 HB3 ASP A 26 -7.928 4.749 -19.726 1.00 63.44 H new ATOM 391 N THR A 27 -6.342 6.153 -22.325 1.00 13.42 N ATOM 392 CA THR A 27 -6.675 7.254 -23.221 1.00 23.14 C ATOM 393 C THR A 27 -8.175 7.522 -23.229 1.00 74.43 C ATOM 394 O THR A 27 -8.961 6.728 -22.711 1.00 2.25 O ATOM 395 CB THR A 27 -6.207 6.967 -24.660 1.00 55.21 C ATOM 396 OG1 THR A 27 -6.289 5.564 -24.931 1.00 75.44 O ATOM 397 CG2 THR A 27 -4.779 7.447 -24.871 1.00 54.11 C ATOM 0 H THR A 27 -6.224 5.252 -22.789 1.00 13.42 H new ATOM 0 HA THR A 27 -6.154 8.135 -22.847 1.00 23.14 H new ATOM 0 HB THR A 27 -6.860 7.508 -25.345 1.00 55.21 H new ATOM 0 HG1 THR A 27 -5.991 5.390 -25.848 1.00 75.44 H new ATOM 0 HG21 THR A 27 -4.471 7.233 -25.894 1.00 54.11 H new ATOM 0 HG22 THR A 27 -4.726 8.521 -24.693 1.00 54.11 H new ATOM 0 HG23 THR A 27 -4.115 6.931 -24.177 1.00 54.11 H new ATOM 405 N VAL A 28 -8.568 8.644 -23.823 1.00 11.53 N ATOM 406 CA VAL A 28 -9.976 9.016 -23.901 1.00 22.03 C ATOM 407 C VAL A 28 -10.809 7.891 -24.504 1.00 24.50 C ATOM 408 O VAL A 28 -11.861 7.532 -23.977 1.00 61.23 O ATOM 409 CB VAL A 28 -10.174 10.293 -24.739 1.00 63.43 C ATOM 410 CG1 VAL A 28 -11.568 10.862 -24.524 1.00 43.15 C ATOM 411 CG2 VAL A 28 -9.109 11.324 -24.398 1.00 40.20 C ATOM 0 H VAL A 28 -7.931 9.312 -24.258 1.00 11.53 H new ATOM 0 HA VAL A 28 -10.310 9.205 -22.881 1.00 22.03 H new ATOM 0 HB VAL A 28 -10.072 10.035 -25.793 1.00 63.43 H new ATOM 0 HG11 VAL A 28 -11.689 11.764 -25.124 1.00 43.15 H new ATOM 0 HG12 VAL A 28 -12.312 10.124 -24.823 1.00 43.15 H new ATOM 0 HG13 VAL A 28 -11.703 11.106 -23.470 1.00 43.15 H new ATOM 0 HG21 VAL A 28 -9.264 12.220 -24.999 1.00 40.20 H new ATOM 0 HG22 VAL A 28 -9.176 11.581 -23.341 1.00 40.20 H new ATOM 0 HG23 VAL A 28 -8.122 10.912 -24.609 1.00 40.20 H new ATOM 421 N GLY A 29 -10.329 7.336 -25.613 1.00 51.04 N ATOM 422 CA GLY A 29 -11.042 6.256 -26.271 1.00 3.14 C ATOM 423 C GLY A 29 -11.509 5.192 -25.297 1.00 2.52 C ATOM 424 O GLY A 29 -12.671 4.787 -25.320 1.00 4.51 O ATOM 0 H GLY A 29 -9.459 7.615 -26.067 1.00 51.04 H new ATOM 0 HA2 GLY A 29 -11.904 6.663 -26.800 1.00 3.14 H new ATOM 0 HA3 GLY A 29 -10.394 5.800 -27.020 1.00 3.14 H new ATOM 428 N ALA A 30 -10.601 4.738 -24.439 1.00 62.45 N ATOM 429 CA ALA A 30 -10.926 3.715 -23.453 1.00 72.13 C ATOM 430 C ALA A 30 -11.993 4.209 -22.482 1.00 24.25 C ATOM 431 O ALA A 30 -12.853 3.443 -22.047 1.00 10.24 O ATOM 432 CB ALA A 30 -9.675 3.294 -22.697 1.00 61.42 C ATOM 0 H ALA A 30 -9.635 5.063 -24.407 1.00 62.45 H new ATOM 0 HA ALA A 30 -11.325 2.849 -23.981 1.00 72.13 H new ATOM 0 HB1 ALA A 30 -9.933 2.530 -21.964 1.00 61.42 H new ATOM 0 HB2 ALA A 30 -8.944 2.892 -23.399 1.00 61.42 H new ATOM 0 HB3 ALA A 30 -9.251 4.158 -22.186 1.00 61.42 H new ATOM 438 N VAL A 31 -11.930 5.493 -22.144 1.00 21.01 N ATOM 439 CA VAL A 31 -12.891 6.089 -21.223 1.00 44.24 C ATOM 440 C VAL A 31 -14.295 6.084 -21.816 1.00 13.22 C ATOM 441 O VAL A 31 -15.264 5.729 -21.144 1.00 24.43 O ATOM 442 CB VAL A 31 -12.502 7.536 -20.865 1.00 65.14 C ATOM 443 CG1 VAL A 31 -13.589 8.189 -20.026 1.00 5.14 C ATOM 444 CG2 VAL A 31 -11.166 7.563 -20.138 1.00 44.43 C ATOM 0 H VAL A 31 -11.224 6.140 -22.494 1.00 21.01 H new ATOM 0 HA VAL A 31 -12.880 5.483 -20.317 1.00 44.24 H new ATOM 0 HB VAL A 31 -12.399 8.106 -21.788 1.00 65.14 H new ATOM 0 HG11 VAL A 31 -13.297 9.210 -19.783 1.00 5.14 H new ATOM 0 HG12 VAL A 31 -14.523 8.203 -20.588 1.00 5.14 H new ATOM 0 HG13 VAL A 31 -13.728 7.622 -19.105 1.00 5.14 H new ATOM 0 HG21 VAL A 31 -10.906 8.593 -19.892 1.00 44.43 H new ATOM 0 HG22 VAL A 31 -11.239 6.979 -19.221 1.00 44.43 H new ATOM 0 HG23 VAL A 31 -10.394 7.137 -20.779 1.00 44.43 H new ATOM 454 N LYS A 32 -14.400 6.481 -23.080 1.00 22.23 N ATOM 455 CA LYS A 32 -15.686 6.521 -23.766 1.00 21.14 C ATOM 456 C LYS A 32 -16.367 5.157 -23.725 1.00 61.31 C ATOM 457 O LYS A 32 -17.570 5.060 -23.485 1.00 1.13 O ATOM 458 CB LYS A 32 -15.499 6.966 -25.218 1.00 1.53 C ATOM 459 CG LYS A 32 -16.170 8.291 -25.539 1.00 31.42 C ATOM 460 CD LYS A 32 -15.159 9.422 -25.625 1.00 72.22 C ATOM 461 CE LYS A 32 -14.915 9.842 -27.066 1.00 52.44 C ATOM 462 NZ LYS A 32 -16.108 10.508 -27.659 1.00 41.43 N ATOM 0 H LYS A 32 -13.609 6.780 -23.650 1.00 22.23 H new ATOM 0 HA LYS A 32 -16.322 7.241 -23.251 1.00 21.14 H new ATOM 0 HB2 LYS A 32 -14.433 7.047 -25.430 1.00 1.53 H new ATOM 0 HB3 LYS A 32 -15.898 6.197 -25.879 1.00 1.53 H new ATOM 0 HG2 LYS A 32 -16.706 8.209 -26.484 1.00 31.42 H new ATOM 0 HG3 LYS A 32 -16.910 8.521 -24.772 1.00 31.42 H new ATOM 0 HD2 LYS A 32 -15.518 10.277 -25.051 1.00 72.22 H new ATOM 0 HD3 LYS A 32 -14.219 9.106 -25.173 1.00 72.22 H new ATOM 0 HE2 LYS A 32 -14.063 10.520 -27.107 1.00 52.44 H new ATOM 0 HE3 LYS A 32 -14.655 8.966 -27.661 1.00 52.44 H new ATOM 0 HZ1 LYS A 32 -15.806 11.341 -28.204 1.00 41.43 H new ATOM 0 HZ2 LYS A 32 -16.600 9.842 -28.289 1.00 41.43 H new ATOM 0 HZ3 LYS A 32 -16.752 10.807 -26.899 1.00 41.43 H new ATOM 476 N ALA A 33 -15.589 4.105 -23.960 1.00 73.14 N ATOM 477 CA ALA A 33 -16.117 2.746 -23.947 1.00 52.31 C ATOM 478 C ALA A 33 -16.633 2.371 -22.562 1.00 3.22 C ATOM 479 O ALA A 33 -17.661 1.707 -22.429 1.00 50.22 O ATOM 480 CB ALA A 33 -15.050 1.761 -24.400 1.00 20.11 C ATOM 0 H ALA A 33 -14.591 4.168 -24.162 1.00 73.14 H new ATOM 0 HA ALA A 33 -16.955 2.701 -24.642 1.00 52.31 H new ATOM 0 HB1 ALA A 33 -15.458 0.750 -24.385 1.00 20.11 H new ATOM 0 HB2 ALA A 33 -14.732 2.009 -25.413 1.00 20.11 H new ATOM 0 HB3 ALA A 33 -14.194 1.817 -23.727 1.00 20.11 H new ATOM 486 N LYS A 34 -15.912 2.800 -21.531 1.00 62.13 N ATOM 487 CA LYS A 34 -16.296 2.510 -20.155 1.00 22.01 C ATOM 488 C LYS A 34 -17.675 3.083 -19.843 1.00 24.34 C ATOM 489 O LYS A 34 -18.501 2.425 -19.210 1.00 11.14 O ATOM 490 CB LYS A 34 -15.262 3.084 -19.184 1.00 23.54 C ATOM 491 CG LYS A 34 -15.529 2.729 -17.731 1.00 71.21 C ATOM 492 CD LYS A 34 -15.352 1.241 -17.479 1.00 24.13 C ATOM 493 CE LYS A 34 -13.887 0.836 -17.539 1.00 3.20 C ATOM 494 NZ LYS A 34 -13.662 -0.520 -16.967 1.00 71.43 N ATOM 0 H LYS A 34 -15.058 3.350 -21.623 1.00 62.13 H new ATOM 0 HA LYS A 34 -16.336 1.427 -20.035 1.00 22.01 H new ATOM 0 HB2 LYS A 34 -14.273 2.720 -19.462 1.00 23.54 H new ATOM 0 HB3 LYS A 34 -15.243 4.169 -19.287 1.00 23.54 H new ATOM 0 HG2 LYS A 34 -14.852 3.291 -17.088 1.00 71.21 H new ATOM 0 HG3 LYS A 34 -16.543 3.026 -17.463 1.00 71.21 H new ATOM 0 HD2 LYS A 34 -15.762 0.985 -16.502 1.00 24.13 H new ATOM 0 HD3 LYS A 34 -15.918 0.676 -18.220 1.00 24.13 H new ATOM 0 HE2 LYS A 34 -13.547 0.854 -18.575 1.00 3.20 H new ATOM 0 HE3 LYS A 34 -13.286 1.564 -16.994 1.00 3.20 H new ATOM 0 HZ1 LYS A 34 -12.652 -0.759 -17.027 1.00 71.43 H new ATOM 0 HZ2 LYS A 34 -13.962 -0.531 -15.971 1.00 71.43 H new ATOM 0 HZ3 LYS A 34 -14.215 -1.219 -17.503 1.00 71.43 H new ATOM 508 N ILE A 35 -17.916 4.310 -20.291 1.00 70.25 N ATOM 509 CA ILE A 35 -19.196 4.969 -20.062 1.00 23.33 C ATOM 510 C ILE A 35 -20.314 4.285 -20.841 1.00 20.11 C ATOM 511 O ILE A 35 -21.449 4.199 -20.372 1.00 30.34 O ATOM 512 CB ILE A 35 -19.143 6.456 -20.460 1.00 21.42 C ATOM 513 CG1 ILE A 35 -17.971 7.151 -19.764 1.00 21.00 C ATOM 514 CG2 ILE A 35 -20.455 7.143 -20.114 1.00 10.51 C ATOM 515 CD1 ILE A 35 -18.034 7.077 -18.254 1.00 54.15 C ATOM 0 H ILE A 35 -17.242 4.868 -20.815 1.00 70.25 H new ATOM 0 HA ILE A 35 -19.403 4.894 -18.994 1.00 23.33 H new ATOM 0 HB ILE A 35 -18.993 6.524 -21.537 1.00 21.42 H new ATOM 0 HG12 ILE A 35 -17.038 6.700 -20.103 1.00 21.00 H new ATOM 0 HG13 ILE A 35 -17.948 8.198 -20.068 1.00 21.00 H new ATOM 0 HG21 ILE A 35 -20.403 8.193 -20.401 1.00 10.51 H new ATOM 0 HG22 ILE A 35 -21.271 6.660 -20.651 1.00 10.51 H new ATOM 0 HG23 ILE A 35 -20.633 7.069 -19.041 1.00 10.51 H new ATOM 0 HD11 ILE A 35 -17.172 7.590 -17.828 1.00 54.15 H new ATOM 0 HD12 ILE A 35 -18.949 7.554 -17.904 1.00 54.15 H new ATOM 0 HD13 ILE A 35 -18.026 6.033 -17.940 1.00 54.15 H new ATOM 527 N TYR A 36 -19.985 3.798 -22.032 1.00 53.54 N ATOM 528 CA TYR A 36 -20.962 3.122 -22.878 1.00 1.12 C ATOM 529 C TYR A 36 -21.590 1.940 -22.146 1.00 21.10 C ATOM 530 O TYR A 36 -22.807 1.756 -22.171 1.00 21.44 O ATOM 531 CB TYR A 36 -20.302 2.643 -24.172 1.00 54.01 C ATOM 532 CG TYR A 36 -20.678 1.230 -24.556 1.00 31.41 C ATOM 533 CD1 TYR A 36 -21.949 0.932 -25.032 1.00 42.45 C ATOM 534 CD2 TYR A 36 -19.761 0.191 -24.443 1.00 14.41 C ATOM 535 CE1 TYR A 36 -22.296 -0.358 -25.384 1.00 14.45 C ATOM 536 CE2 TYR A 36 -20.100 -1.101 -24.793 1.00 62.51 C ATOM 537 CZ TYR A 36 -21.369 -1.371 -25.262 1.00 45.13 C ATOM 538 OH TYR A 36 -21.710 -2.657 -25.612 1.00 75.13 O ATOM 0 H TYR A 36 -19.049 3.859 -22.434 1.00 53.54 H new ATOM 0 HA TYR A 36 -21.749 3.835 -23.122 1.00 1.12 H new ATOM 0 HB2 TYR A 36 -20.579 3.317 -24.983 1.00 54.01 H new ATOM 0 HB3 TYR A 36 -19.219 2.705 -24.062 1.00 54.01 H new ATOM 0 HD1 TYR A 36 -22.678 1.723 -25.128 1.00 42.45 H new ATOM 0 HD2 TYR A 36 -18.767 0.398 -24.075 1.00 14.41 H new ATOM 0 HE1 TYR A 36 -23.288 -0.572 -25.753 1.00 14.45 H new ATOM 0 HE2 TYR A 36 -19.375 -1.896 -24.700 1.00 62.51 H new ATOM 0 HH TYR A 36 -20.943 -3.250 -25.467 1.00 75.13 H new ATOM 548 N ASP A 37 -20.751 1.142 -21.495 1.00 4.32 N ATOM 549 CA ASP A 37 -21.222 -0.022 -20.754 1.00 3.14 C ATOM 550 C ASP A 37 -21.886 0.399 -19.446 1.00 63.42 C ATOM 551 O ASP A 37 -22.812 -0.257 -18.968 1.00 63.34 O ATOM 552 CB ASP A 37 -20.060 -0.975 -20.467 1.00 12.22 C ATOM 553 CG ASP A 37 -20.407 -2.419 -20.772 1.00 40.35 C ATOM 554 OD1 ASP A 37 -21.364 -2.941 -20.163 1.00 61.21 O ATOM 555 OD2 ASP A 37 -19.722 -3.026 -21.622 1.00 10.13 O ATOM 0 H ASP A 37 -19.741 1.280 -21.465 1.00 4.32 H new ATOM 0 HA ASP A 37 -21.962 -0.538 -21.367 1.00 3.14 H new ATOM 0 HB2 ASP A 37 -19.196 -0.679 -21.061 1.00 12.22 H new ATOM 0 HB3 ASP A 37 -19.772 -0.887 -19.419 1.00 12.22 H new ATOM 560 N LYS A 38 -21.406 1.496 -18.871 1.00 42.01 N ATOM 561 CA LYS A 38 -21.952 2.005 -17.619 1.00 1.43 C ATOM 562 C LYS A 38 -23.457 2.228 -17.732 1.00 4.20 C ATOM 563 O LYS A 38 -24.219 1.831 -16.852 1.00 13.53 O ATOM 564 CB LYS A 38 -21.260 3.314 -17.232 1.00 4.24 C ATOM 565 CG LYS A 38 -20.428 3.211 -15.965 1.00 65.41 C ATOM 566 CD LYS A 38 -18.959 2.980 -16.280 1.00 40.20 C ATOM 567 CE LYS A 38 -18.649 1.500 -16.442 1.00 73.04 C ATOM 568 NZ LYS A 38 -18.084 0.912 -15.197 1.00 31.35 N ATOM 0 H LYS A 38 -20.639 2.050 -19.253 1.00 42.01 H new ATOM 0 HA LYS A 38 -21.770 1.261 -16.843 1.00 1.43 H new ATOM 0 HB2 LYS A 38 -20.618 3.632 -18.053 1.00 4.24 H new ATOM 0 HB3 LYS A 38 -22.015 4.089 -17.099 1.00 4.24 H new ATOM 0 HG2 LYS A 38 -20.537 4.125 -15.382 1.00 65.41 H new ATOM 0 HG3 LYS A 38 -20.802 2.394 -15.348 1.00 65.41 H new ATOM 0 HD2 LYS A 38 -18.694 3.510 -17.195 1.00 40.20 H new ATOM 0 HD3 LYS A 38 -18.345 3.396 -15.481 1.00 40.20 H new ATOM 0 HE2 LYS A 38 -19.559 0.966 -16.715 1.00 73.04 H new ATOM 0 HE3 LYS A 38 -17.942 1.365 -17.261 1.00 73.04 H new ATOM 0 HZ1 LYS A 38 -17.870 -0.094 -15.354 1.00 31.35 H new ATOM 0 HZ2 LYS A 38 -17.211 1.415 -14.940 1.00 31.35 H new ATOM 0 HZ3 LYS A 38 -18.775 1.003 -14.425 1.00 31.35 H new ATOM 582 N GLU A 39 -23.876 2.864 -18.822 1.00 20.33 N ATOM 583 CA GLU A 39 -25.290 3.138 -19.049 1.00 31.32 C ATOM 584 C GLU A 39 -25.827 2.301 -20.206 1.00 73.13 C ATOM 585 O GLU A 39 -26.813 1.579 -20.060 1.00 24.13 O ATOM 586 CB GLU A 39 -25.504 4.625 -19.338 1.00 32.11 C ATOM 587 CG GLU A 39 -24.358 5.268 -20.100 1.00 4.24 C ATOM 588 CD GLU A 39 -24.532 6.766 -20.261 1.00 21.11 C ATOM 589 OE1 GLU A 39 -25.658 7.202 -20.577 1.00 73.02 O ATOM 590 OE2 GLU A 39 -23.541 7.502 -20.070 1.00 61.33 O ATOM 0 H GLU A 39 -23.257 3.199 -19.561 1.00 20.33 H new ATOM 0 HA GLU A 39 -25.836 2.869 -18.145 1.00 31.32 H new ATOM 0 HB2 GLU A 39 -26.423 4.746 -19.911 1.00 32.11 H new ATOM 0 HB3 GLU A 39 -25.644 5.153 -18.395 1.00 32.11 H new ATOM 0 HG2 GLU A 39 -23.422 5.069 -19.578 1.00 4.24 H new ATOM 0 HG3 GLU A 39 -24.278 4.807 -21.085 1.00 4.24 H new ATOM 597 N GLY A 40 -25.172 2.405 -21.358 1.00 64.44 N ATOM 598 CA GLY A 40 -25.598 1.653 -22.525 1.00 4.24 C ATOM 599 C GLY A 40 -25.921 2.548 -23.705 1.00 1.15 C ATOM 600 O GLY A 40 -26.988 2.430 -24.307 1.00 71.04 O ATOM 0 H GLY A 40 -24.354 2.996 -21.505 1.00 64.44 H new ATOM 0 HA2 GLY A 40 -24.813 0.952 -22.809 1.00 4.24 H new ATOM 0 HA3 GLY A 40 -26.477 1.061 -22.271 1.00 4.24 H new ATOM 604 N ILE A 41 -24.999 3.446 -24.034 1.00 2.30 N ATOM 605 CA ILE A 41 -25.192 4.365 -25.149 1.00 61.11 C ATOM 606 C ILE A 41 -24.006 4.323 -26.107 1.00 55.04 C ATOM 607 O ILE A 41 -22.905 3.901 -25.754 1.00 11.41 O ATOM 608 CB ILE A 41 -25.391 5.811 -24.659 1.00 4.30 C ATOM 609 CG1 ILE A 41 -24.516 6.082 -23.433 1.00 42.32 C ATOM 610 CG2 ILE A 41 -26.856 6.065 -24.337 1.00 42.04 C ATOM 611 CD1 ILE A 41 -23.984 7.497 -23.371 1.00 64.14 C ATOM 0 H ILE A 41 -24.111 3.557 -23.545 1.00 2.30 H new ATOM 0 HA ILE A 41 -26.091 4.041 -25.673 1.00 61.11 H new ATOM 0 HB ILE A 41 -25.091 6.493 -25.455 1.00 4.30 H new ATOM 0 HG12 ILE A 41 -25.095 5.880 -22.532 1.00 42.32 H new ATOM 0 HG13 ILE A 41 -23.677 5.387 -23.435 1.00 42.32 H new ATOM 0 HG21 ILE A 41 -26.980 7.091 -23.992 1.00 42.04 H new ATOM 0 HG22 ILE A 41 -27.458 5.908 -25.232 1.00 42.04 H new ATOM 0 HG23 ILE A 41 -27.181 5.378 -23.556 1.00 42.04 H new ATOM 0 HD11 ILE A 41 -23.373 7.617 -22.477 1.00 64.14 H new ATOM 0 HD12 ILE A 41 -23.378 7.697 -24.254 1.00 64.14 H new ATOM 0 HD13 ILE A 41 -24.818 8.198 -23.337 1.00 64.14 H new ATOM 623 N PRO A 42 -24.235 4.772 -27.351 1.00 5.35 N ATOM 624 CA PRO A 42 -23.197 4.799 -28.385 1.00 64.14 C ATOM 625 C PRO A 42 -22.121 5.841 -28.101 1.00 3.23 C ATOM 626 O PRO A 42 -22.367 7.047 -28.132 1.00 42.12 O ATOM 627 CB PRO A 42 -23.971 5.162 -29.655 1.00 2.51 C ATOM 628 CG PRO A 42 -25.170 5.901 -29.169 1.00 1.01 C ATOM 629 CD PRO A 42 -25.523 5.290 -27.841 1.00 61.53 C ATOM 0 HA PRO A 42 -22.663 3.851 -28.451 1.00 64.14 H new ATOM 0 HB2 PRO A 42 -23.369 5.779 -30.323 1.00 2.51 H new ATOM 0 HB3 PRO A 42 -24.255 4.270 -30.214 1.00 2.51 H new ATOM 0 HG2 PRO A 42 -24.957 6.965 -29.065 1.00 1.01 H new ATOM 0 HG3 PRO A 42 -25.997 5.809 -29.873 1.00 1.01 H new ATOM 0 HD2 PRO A 42 -25.945 6.028 -27.159 1.00 61.53 H new ATOM 0 HD3 PRO A 42 -26.261 4.495 -27.948 1.00 61.53 H new ATOM 637 N PRO A 43 -20.898 5.368 -27.816 1.00 51.44 N ATOM 638 CA PRO A 43 -19.760 6.244 -27.522 1.00 23.33 C ATOM 639 C PRO A 43 -19.284 7.010 -28.751 1.00 54.31 C ATOM 640 O PRO A 43 -18.796 8.135 -28.642 1.00 52.35 O ATOM 641 CB PRO A 43 -18.678 5.271 -27.047 1.00 23.50 C ATOM 642 CG PRO A 43 -19.031 3.971 -27.684 1.00 34.15 C ATOM 643 CD PRO A 43 -20.533 3.943 -27.761 1.00 62.04 C ATOM 0 HA PRO A 43 -20.015 7.011 -26.791 1.00 23.33 H new ATOM 0 HB2 PRO A 43 -17.685 5.604 -27.350 1.00 23.50 H new ATOM 0 HB3 PRO A 43 -18.668 5.190 -25.960 1.00 23.50 H new ATOM 0 HG2 PRO A 43 -18.588 3.889 -28.676 1.00 34.15 H new ATOM 0 HG3 PRO A 43 -18.654 3.133 -27.097 1.00 34.15 H new ATOM 0 HD2 PRO A 43 -20.880 3.405 -28.643 1.00 62.04 H new ATOM 0 HD3 PRO A 43 -20.971 3.449 -26.893 1.00 62.04 H new ATOM 651 N ASP A 44 -19.431 6.395 -29.919 1.00 64.03 N ATOM 652 CA ASP A 44 -19.017 7.021 -31.170 1.00 74.31 C ATOM 653 C ASP A 44 -19.978 8.140 -31.561 1.00 63.41 C ATOM 654 O ASP A 44 -19.655 8.983 -32.397 1.00 63.34 O ATOM 655 CB ASP A 44 -18.947 5.979 -32.287 1.00 62.44 C ATOM 656 CG ASP A 44 -18.062 6.421 -33.436 1.00 63.42 C ATOM 657 OD1 ASP A 44 -16.840 6.173 -33.372 1.00 63.55 O ATOM 658 OD2 ASP A 44 -18.591 7.015 -34.399 1.00 0.54 O ATOM 0 H ASP A 44 -19.834 5.464 -30.026 1.00 64.03 H new ATOM 0 HA ASP A 44 -18.027 7.452 -31.023 1.00 74.31 H new ATOM 0 HB2 ASP A 44 -18.569 5.040 -31.881 1.00 62.44 H new ATOM 0 HB3 ASP A 44 -19.952 5.783 -32.661 1.00 62.44 H new ATOM 663 N GLN A 45 -21.159 8.139 -30.951 1.00 45.31 N ATOM 664 CA GLN A 45 -22.166 9.154 -31.237 1.00 70.34 C ATOM 665 C GLN A 45 -22.061 10.317 -30.257 1.00 43.43 C ATOM 666 O GLN A 45 -22.663 11.370 -30.463 1.00 54.34 O ATOM 667 CB GLN A 45 -23.567 8.543 -31.174 1.00 52.20 C ATOM 668 CG GLN A 45 -24.028 7.939 -32.491 1.00 24.23 C ATOM 669 CD GLN A 45 -25.001 6.793 -32.298 1.00 14.10 C ATOM 670 OE1 GLN A 45 -26.134 6.993 -31.857 1.00 63.12 O ATOM 671 NE2 GLN A 45 -24.565 5.583 -32.628 1.00 52.13 N ATOM 0 H GLN A 45 -21.442 7.448 -30.256 1.00 45.31 H new ATOM 0 HA GLN A 45 -21.987 9.534 -32.243 1.00 70.34 H new ATOM 0 HB2 GLN A 45 -23.583 7.771 -30.405 1.00 52.20 H new ATOM 0 HB3 GLN A 45 -24.276 9.312 -30.869 1.00 52.20 H new ATOM 0 HG2 GLN A 45 -24.500 8.713 -33.096 1.00 24.23 H new ATOM 0 HG3 GLN A 45 -23.160 7.584 -33.047 1.00 24.23 H new ATOM 0 HE21 GLN A 45 -23.619 5.463 -32.990 1.00 52.13 H new ATOM 0 HE22 GLN A 45 -25.176 4.774 -32.520 1.00 52.13 H new ATOM 680 N GLN A 46 -21.292 10.119 -29.191 1.00 41.24 N ATOM 681 CA GLN A 46 -21.109 11.153 -28.179 1.00 72.40 C ATOM 682 C GLN A 46 -19.665 11.643 -28.156 1.00 72.20 C ATOM 683 O GLN A 46 -18.744 10.908 -28.512 1.00 31.52 O ATOM 684 CB GLN A 46 -21.502 10.620 -26.800 1.00 5.12 C ATOM 685 CG GLN A 46 -20.742 9.368 -26.392 1.00 44.13 C ATOM 686 CD GLN A 46 -20.699 9.174 -24.889 1.00 54.33 C ATOM 687 OE1 GLN A 46 -21.738 9.109 -24.231 1.00 1.12 O ATOM 688 NE2 GLN A 46 -19.495 9.081 -24.338 1.00 31.22 N ATOM 0 H GLN A 46 -20.786 9.253 -29.006 1.00 41.24 H new ATOM 0 HA GLN A 46 -21.754 11.994 -28.433 1.00 72.40 H new ATOM 0 HB2 GLN A 46 -21.330 11.398 -26.056 1.00 5.12 H new ATOM 0 HB3 GLN A 46 -22.570 10.404 -26.794 1.00 5.12 H new ATOM 0 HG2 GLN A 46 -21.209 8.498 -26.853 1.00 44.13 H new ATOM 0 HG3 GLN A 46 -19.724 9.425 -26.776 1.00 44.13 H new ATOM 0 HE21 GLN A 46 -18.661 9.140 -24.922 1.00 31.22 H new ATOM 0 HE22 GLN A 46 -19.404 8.950 -23.331 1.00 31.22 H new ATOM 697 N ARG A 47 -19.475 12.889 -27.736 1.00 13.23 N ATOM 698 CA ARG A 47 -18.143 13.478 -27.668 1.00 13.11 C ATOM 699 C ARG A 47 -17.946 14.226 -26.353 1.00 23.14 C ATOM 700 O ARG A 47 -18.910 14.538 -25.652 1.00 61.43 O ATOM 701 CB ARG A 47 -17.922 14.429 -28.846 1.00 14.13 C ATOM 702 CG ARG A 47 -17.348 13.749 -30.078 1.00 14.30 C ATOM 703 CD ARG A 47 -17.619 14.558 -31.337 1.00 73.42 C ATOM 704 NE ARG A 47 -16.727 14.182 -32.431 1.00 54.21 N ATOM 705 CZ ARG A 47 -16.885 14.597 -33.683 1.00 73.32 C ATOM 706 NH1 ARG A 47 -17.895 15.396 -33.998 1.00 50.21 N ATOM 707 NH2 ARG A 47 -16.032 14.212 -34.623 1.00 63.24 N ATOM 0 H ARG A 47 -20.227 13.511 -27.438 1.00 13.23 H new ATOM 0 HA ARG A 47 -17.413 12.670 -27.720 1.00 13.11 H new ATOM 0 HB2 ARG A 47 -18.871 14.896 -29.108 1.00 14.13 H new ATOM 0 HB3 ARG A 47 -17.249 15.228 -28.536 1.00 14.13 H new ATOM 0 HG2 ARG A 47 -16.273 13.616 -29.954 1.00 14.30 H new ATOM 0 HG3 ARG A 47 -17.783 12.755 -30.182 1.00 14.30 H new ATOM 0 HD2 ARG A 47 -18.654 14.412 -31.646 1.00 73.42 H new ATOM 0 HD3 ARG A 47 -17.498 15.619 -31.119 1.00 73.42 H new ATOM 0 HE ARG A 47 -15.940 13.567 -32.222 1.00 54.21 H new ATOM 0 HH11 ARG A 47 -18.553 15.694 -33.278 1.00 50.21 H new ATOM 0 HH12 ARG A 47 -18.014 15.713 -34.960 1.00 50.21 H new ATOM 0 HH21 ARG A 47 -15.254 13.597 -34.385 1.00 63.24 H new ATOM 0 HH22 ARG A 47 -16.154 14.531 -35.584 1.00 63.24 H new ATOM 721 N LEU A 48 -16.691 14.510 -26.023 1.00 2.24 N ATOM 722 CA LEU A 48 -16.366 15.221 -24.791 1.00 1.12 C ATOM 723 C LEU A 48 -16.012 16.677 -25.079 1.00 74.42 C ATOM 724 O LEU A 48 -15.464 16.995 -26.135 1.00 23.23 O ATOM 725 CB LEU A 48 -15.202 14.534 -24.074 1.00 51.21 C ATOM 726 CG LEU A 48 -15.157 13.009 -24.177 1.00 3.21 C ATOM 727 CD1 LEU A 48 -16.555 12.424 -24.054 1.00 0.03 C ATOM 728 CD2 LEU A 48 -14.511 12.582 -25.487 1.00 53.01 C ATOM 0 H LEU A 48 -15.882 14.259 -26.591 1.00 2.24 H new ATOM 0 HA LEU A 48 -17.245 15.201 -24.147 1.00 1.12 H new ATOM 0 HB2 LEU A 48 -14.269 14.933 -24.473 1.00 51.21 H new ATOM 0 HB3 LEU A 48 -15.240 14.806 -23.019 1.00 51.21 H new ATOM 0 HG LEU A 48 -14.552 12.626 -23.355 1.00 3.21 H new ATOM 0 HD11 LEU A 48 -16.503 11.338 -24.130 1.00 0.03 H new ATOM 0 HD12 LEU A 48 -16.982 12.701 -23.090 1.00 0.03 H new ATOM 0 HD13 LEU A 48 -17.184 12.814 -24.854 1.00 0.03 H new ATOM 0 HD21 LEU A 48 -14.487 11.494 -25.543 1.00 53.01 H new ATOM 0 HD22 LEU A 48 -15.089 12.976 -26.323 1.00 53.01 H new ATOM 0 HD23 LEU A 48 -13.493 12.970 -25.534 1.00 53.01 H new ATOM 740 N ILE A 49 -16.329 17.555 -24.134 1.00 5.20 N ATOM 741 CA ILE A 49 -16.041 18.976 -24.286 1.00 11.24 C ATOM 742 C ILE A 49 -15.541 19.578 -22.977 1.00 42.50 C ATOM 743 O ILE A 49 -16.186 19.453 -21.936 1.00 75.33 O ATOM 744 CB ILE A 49 -17.284 19.755 -24.754 1.00 14.20 C ATOM 745 CG1 ILE A 49 -17.398 19.708 -26.279 1.00 73.50 C ATOM 746 CG2 ILE A 49 -17.222 21.195 -24.267 1.00 2.12 C ATOM 747 CD1 ILE A 49 -18.579 18.900 -26.772 1.00 1.32 C ATOM 0 H ILE A 49 -16.785 17.308 -23.256 1.00 5.20 H new ATOM 0 HA ILE A 49 -15.262 19.061 -25.044 1.00 11.24 H new ATOM 0 HB ILE A 49 -18.170 19.285 -24.327 1.00 14.20 H new ATOM 0 HG12 ILE A 49 -17.480 20.726 -26.661 1.00 73.50 H new ATOM 0 HG13 ILE A 49 -16.482 19.285 -26.691 1.00 73.50 H new ATOM 0 HG21 ILE A 49 -18.108 21.732 -24.606 1.00 2.12 H new ATOM 0 HG22 ILE A 49 -17.184 21.209 -23.178 1.00 2.12 H new ATOM 0 HG23 ILE A 49 -16.330 21.677 -24.668 1.00 2.12 H new ATOM 0 HD11 ILE A 49 -18.597 18.910 -27.862 1.00 1.32 H new ATOM 0 HD12 ILE A 49 -18.489 17.872 -26.420 1.00 1.32 H new ATOM 0 HD13 ILE A 49 -19.502 19.335 -26.390 1.00 1.32 H new ATOM 759 N PHE A 50 -14.387 20.235 -23.037 1.00 61.03 N ATOM 760 CA PHE A 50 -13.800 20.858 -21.857 1.00 44.41 C ATOM 761 C PHE A 50 -13.666 22.366 -22.048 1.00 52.41 C ATOM 762 O PHE A 50 -12.835 22.834 -22.825 1.00 63.30 O ATOM 763 CB PHE A 50 -12.429 20.247 -21.560 1.00 44.33 C ATOM 764 CG PHE A 50 -11.893 20.608 -20.204 1.00 65.52 C ATOM 765 CD1 PHE A 50 -12.451 20.066 -19.058 1.00 21.13 C ATOM 766 CD2 PHE A 50 -10.831 21.488 -20.076 1.00 44.31 C ATOM 767 CE1 PHE A 50 -11.960 20.395 -17.808 1.00 62.13 C ATOM 768 CE2 PHE A 50 -10.335 21.821 -18.829 1.00 70.35 C ATOM 769 CZ PHE A 50 -10.901 21.274 -17.694 1.00 51.31 C ATOM 0 H PHE A 50 -13.840 20.349 -23.890 1.00 61.03 H new ATOM 0 HA PHE A 50 -14.463 20.674 -21.012 1.00 44.41 H new ATOM 0 HB2 PHE A 50 -12.499 19.162 -21.637 1.00 44.33 H new ATOM 0 HB3 PHE A 50 -11.721 20.575 -22.321 1.00 44.33 H new ATOM 0 HD1 PHE A 50 -13.279 19.378 -19.142 1.00 21.13 H new ATOM 0 HD2 PHE A 50 -10.385 21.919 -20.960 1.00 44.31 H new ATOM 0 HE1 PHE A 50 -12.404 19.965 -16.922 1.00 62.13 H new ATOM 0 HE2 PHE A 50 -9.506 22.508 -18.743 1.00 70.35 H new ATOM 0 HZ PHE A 50 -10.516 21.533 -16.719 1.00 51.31 H new ATOM 779 N GLY A 51 -14.493 23.123 -21.333 1.00 12.12 N ATOM 780 CA GLY A 51 -14.453 24.570 -21.438 1.00 22.03 C ATOM 781 C GLY A 51 -15.044 25.074 -22.739 1.00 71.43 C ATOM 782 O GLY A 51 -15.134 26.280 -22.963 1.00 11.14 O ATOM 0 H GLY A 51 -15.190 22.760 -20.683 1.00 12.12 H new ATOM 0 HA2 GLY A 51 -14.998 25.007 -20.602 1.00 22.03 H new ATOM 0 HA3 GLY A 51 -13.420 24.909 -21.357 1.00 22.03 H new ATOM 786 N GLY A 52 -15.447 24.146 -23.603 1.00 13.23 N ATOM 787 CA GLY A 52 -16.026 24.523 -24.879 1.00 71.52 C ATOM 788 C GLY A 52 -15.383 23.796 -26.044 1.00 11.20 C ATOM 789 O GLY A 52 -16.000 23.624 -27.095 1.00 74.52 O ATOM 0 H GLY A 52 -15.383 23.141 -23.442 1.00 13.23 H new ATOM 0 HA2 GLY A 52 -17.095 24.310 -24.867 1.00 71.52 H new ATOM 0 HA3 GLY A 52 -15.917 25.598 -25.021 1.00 71.52 H new ATOM 793 N LYS A 53 -14.138 23.370 -25.859 1.00 52.30 N ATOM 794 CA LYS A 53 -13.409 22.659 -26.902 1.00 75.25 C ATOM 795 C LYS A 53 -13.578 21.150 -26.752 1.00 2.33 C ATOM 796 O LYS A 53 -13.666 20.636 -25.637 1.00 61.54 O ATOM 797 CB LYS A 53 -11.924 23.024 -26.856 1.00 11.14 C ATOM 798 CG LYS A 53 -11.262 22.710 -25.525 1.00 72.01 C ATOM 799 CD LYS A 53 -10.633 21.327 -25.528 1.00 44.12 C ATOM 800 CE LYS A 53 -9.496 21.234 -26.535 1.00 53.30 C ATOM 801 NZ LYS A 53 -8.188 20.974 -25.873 1.00 32.13 N ATOM 0 H LYS A 53 -13.613 23.505 -24.995 1.00 52.30 H new ATOM 0 HA LYS A 53 -13.820 22.959 -27.866 1.00 75.25 H new ATOM 0 HB2 LYS A 53 -11.402 22.487 -27.648 1.00 11.14 H new ATOM 0 HB3 LYS A 53 -11.813 24.088 -27.066 1.00 11.14 H new ATOM 0 HG2 LYS A 53 -10.498 23.458 -25.312 1.00 72.01 H new ATOM 0 HG3 LYS A 53 -12.001 22.773 -24.726 1.00 72.01 H new ATOM 0 HD2 LYS A 53 -10.258 21.095 -24.531 1.00 44.12 H new ATOM 0 HD3 LYS A 53 -11.392 20.581 -25.765 1.00 44.12 H new ATOM 0 HE2 LYS A 53 -9.707 20.437 -27.248 1.00 53.30 H new ATOM 0 HE3 LYS A 53 -9.437 22.162 -27.103 1.00 53.30 H new ATOM 0 HZ1 LYS A 53 -7.600 20.377 -26.489 1.00 32.13 H new ATOM 0 HZ2 LYS A 53 -7.702 21.877 -25.699 1.00 32.13 H new ATOM 0 HZ3 LYS A 53 -8.348 20.486 -24.968 1.00 32.13 H new ATOM 815 N GLN A 54 -13.620 20.448 -27.880 1.00 12.54 N ATOM 816 CA GLN A 54 -13.777 18.999 -27.871 1.00 71.13 C ATOM 817 C GLN A 54 -12.493 18.315 -27.415 1.00 23.13 C ATOM 818 O GLN A 54 -11.420 18.920 -27.417 1.00 42.15 O ATOM 819 CB GLN A 54 -14.168 18.499 -29.263 1.00 50.11 C ATOM 820 CG GLN A 54 -15.381 17.583 -29.262 1.00 55.41 C ATOM 821 CD GLN A 54 -15.005 16.116 -29.308 1.00 30.44 C ATOM 822 OE1 GLN A 54 -14.949 15.445 -28.276 1.00 70.04 O ATOM 823 NE2 GLN A 54 -14.745 15.608 -30.507 1.00 25.24 N ATOM 0 H GLN A 54 -13.548 20.859 -28.811 1.00 12.54 H new ATOM 0 HA GLN A 54 -14.570 18.749 -27.166 1.00 71.13 H new ATOM 0 HB2 GLN A 54 -14.371 19.357 -29.904 1.00 50.11 H new ATOM 0 HB3 GLN A 54 -13.322 17.968 -29.700 1.00 50.11 H new ATOM 0 HG2 GLN A 54 -15.975 17.774 -28.368 1.00 55.41 H new ATOM 0 HG3 GLN A 54 -16.011 17.820 -30.120 1.00 55.41 H new ATOM 0 HE21 GLN A 54 -14.804 16.200 -31.335 1.00 25.24 H new ATOM 0 HE22 GLN A 54 -14.487 14.626 -30.600 1.00 25.24 H new ATOM 832 N LEU A 55 -12.609 17.051 -27.023 1.00 4.15 N ATOM 833 CA LEU A 55 -11.456 16.284 -26.562 1.00 72.04 C ATOM 834 C LEU A 55 -11.183 15.103 -27.489 1.00 1.33 C ATOM 835 O LEU A 55 -12.068 14.290 -27.750 1.00 34.22 O ATOM 836 CB LEU A 55 -11.688 15.784 -25.135 1.00 52.24 C ATOM 837 CG LEU A 55 -12.159 16.832 -24.126 1.00 25.35 C ATOM 838 CD1 LEU A 55 -12.184 16.246 -22.722 1.00 53.41 C ATOM 839 CD2 LEU A 55 -11.263 18.061 -24.176 1.00 52.12 C ATOM 0 H LEU A 55 -13.489 16.535 -27.015 1.00 4.15 H new ATOM 0 HA LEU A 55 -10.586 16.940 -26.573 1.00 72.04 H new ATOM 0 HB2 LEU A 55 -12.426 14.982 -25.168 1.00 52.24 H new ATOM 0 HB3 LEU A 55 -10.759 15.347 -24.769 1.00 52.24 H new ATOM 0 HG LEU A 55 -13.172 17.135 -24.391 1.00 25.35 H new ATOM 0 HD11 LEU A 55 -12.521 17.005 -22.017 1.00 53.41 H new ATOM 0 HD12 LEU A 55 -12.866 15.396 -22.694 1.00 53.41 H new ATOM 0 HD13 LEU A 55 -11.182 15.916 -22.448 1.00 53.41 H new ATOM 0 HD21 LEU A 55 -11.613 18.796 -23.451 1.00 52.12 H new ATOM 0 HD22 LEU A 55 -10.239 17.775 -23.937 1.00 52.12 H new ATOM 0 HD23 LEU A 55 -11.294 18.494 -25.176 1.00 52.12 H new ATOM 851 N GLU A 56 -9.951 15.016 -27.980 1.00 42.11 N ATOM 852 CA GLU A 56 -9.561 13.934 -28.876 1.00 74.51 C ATOM 853 C GLU A 56 -9.496 12.605 -28.128 1.00 75.02 C ATOM 854 O GLU A 56 -9.843 12.526 -26.949 1.00 52.45 O ATOM 855 CB GLU A 56 -8.206 14.236 -29.519 1.00 12.22 C ATOM 856 CG GLU A 56 -8.231 14.199 -31.038 1.00 21.44 C ATOM 857 CD GLU A 56 -7.542 15.396 -31.662 1.00 42.31 C ATOM 858 OE1 GLU A 56 -7.759 16.526 -31.177 1.00 10.10 O ATOM 859 OE2 GLU A 56 -6.785 15.203 -32.636 1.00 63.15 O ATOM 0 H GLU A 56 -9.206 15.681 -27.773 1.00 42.11 H new ATOM 0 HA GLU A 56 -10.316 13.855 -29.658 1.00 74.51 H new ATOM 0 HB2 GLU A 56 -7.870 15.221 -29.193 1.00 12.22 H new ATOM 0 HB3 GLU A 56 -7.473 13.514 -29.158 1.00 12.22 H new ATOM 0 HG2 GLU A 56 -7.747 13.285 -31.383 1.00 21.44 H new ATOM 0 HG3 GLU A 56 -9.265 14.161 -31.380 1.00 21.44 H new ATOM 866 N ASP A 57 -9.051 11.564 -28.822 1.00 62.40 N ATOM 867 CA ASP A 57 -8.940 10.238 -28.225 1.00 25.13 C ATOM 868 C ASP A 57 -7.794 10.190 -27.218 1.00 71.43 C ATOM 869 O ASP A 57 -7.765 9.331 -26.337 1.00 64.31 O ATOM 870 CB ASP A 57 -8.726 9.182 -29.311 1.00 3.25 C ATOM 871 CG ASP A 57 -9.517 9.478 -30.569 1.00 70.14 C ATOM 872 OD1 ASP A 57 -10.674 9.932 -30.449 1.00 41.15 O ATOM 873 OD2 ASP A 57 -8.980 9.254 -31.675 1.00 2.34 O ATOM 0 H ASP A 57 -8.761 11.612 -29.799 1.00 62.40 H new ATOM 0 HA ASP A 57 -9.871 10.024 -27.700 1.00 25.13 H new ATOM 0 HB2 ASP A 57 -7.665 9.127 -29.557 1.00 3.25 H new ATOM 0 HB3 ASP A 57 -9.015 8.204 -28.925 1.00 3.25 H new ATOM 878 N SER A 58 -6.852 11.117 -27.357 1.00 0.12 N ATOM 879 CA SER A 58 -5.701 11.177 -26.463 1.00 15.41 C ATOM 880 C SER A 58 -5.776 12.407 -25.563 1.00 53.55 C ATOM 881 O SER A 58 -4.859 12.682 -24.791 1.00 61.41 O ATOM 882 CB SER A 58 -4.402 11.200 -27.270 1.00 52.23 C ATOM 883 OG SER A 58 -3.280 10.971 -26.437 1.00 25.15 O ATOM 0 H SER A 58 -6.863 11.837 -28.080 1.00 0.12 H new ATOM 0 HA SER A 58 -5.714 10.287 -25.834 1.00 15.41 H new ATOM 0 HB2 SER A 58 -4.441 10.439 -28.050 1.00 52.23 H new ATOM 0 HB3 SER A 58 -4.298 12.163 -27.769 1.00 52.23 H new ATOM 0 HG SER A 58 -3.341 11.541 -25.642 1.00 25.15 H new ATOM 889 N ASN A 59 -6.877 13.145 -25.671 1.00 3.13 N ATOM 890 CA ASN A 59 -7.073 14.347 -24.868 1.00 65.10 C ATOM 891 C ASN A 59 -7.594 13.994 -23.478 1.00 62.13 C ATOM 892 O ASN A 59 -8.772 14.187 -23.179 1.00 23.43 O ATOM 893 CB ASN A 59 -8.048 15.297 -25.565 1.00 13.32 C ATOM 894 CG ASN A 59 -8.159 16.634 -24.856 1.00 60.34 C ATOM 895 OD1 ASN A 59 -8.675 16.717 -23.742 1.00 54.10 O ATOM 896 ND2 ASN A 59 -7.673 17.687 -25.502 1.00 52.42 N ATOM 0 H ASN A 59 -7.646 12.932 -26.306 1.00 3.13 H new ATOM 0 HA ASN A 59 -6.108 14.843 -24.759 1.00 65.10 H new ATOM 0 HB2 ASN A 59 -7.721 15.459 -26.592 1.00 13.32 H new ATOM 0 HB3 ASN A 59 -9.032 14.832 -25.614 1.00 13.32 H new ATOM 0 HD21 ASN A 59 -7.719 18.613 -25.076 1.00 52.42 H new ATOM 0 HD22 ASN A 59 -7.254 17.570 -26.425 1.00 52.42 H new ATOM 903 N ALA A 60 -6.708 13.477 -22.634 1.00 23.43 N ATOM 904 CA ALA A 60 -7.077 13.099 -21.275 1.00 52.31 C ATOM 905 C ALA A 60 -5.840 12.853 -20.418 1.00 72.42 C ATOM 906 O ALA A 60 -5.336 13.764 -19.763 1.00 32.04 O ATOM 907 CB ALA A 60 -7.964 11.863 -21.293 1.00 51.04 C ATOM 0 H ALA A 60 -5.729 13.310 -22.867 1.00 23.43 H new ATOM 0 HA ALA A 60 -7.634 13.925 -20.833 1.00 52.31 H new ATOM 0 HB1 ALA A 60 -8.232 11.592 -20.272 1.00 51.04 H new ATOM 0 HB2 ALA A 60 -8.870 12.073 -21.862 1.00 51.04 H new ATOM 0 HB3 ALA A 60 -7.427 11.037 -21.758 1.00 51.04 H new ATOM 913 N MET A 61 -5.357 11.615 -20.428 1.00 23.32 N ATOM 914 CA MET A 61 -4.178 11.249 -19.651 1.00 43.21 C ATOM 915 C MET A 61 -3.027 12.212 -19.925 1.00 24.14 C ATOM 916 O MET A 61 -2.408 12.734 -18.997 1.00 54.52 O ATOM 917 CB MET A 61 -3.749 9.817 -19.978 1.00 12.41 C ATOM 918 CG MET A 61 -4.044 9.407 -21.411 1.00 40.05 C ATOM 919 SD MET A 61 -2.828 8.248 -22.066 1.00 60.22 S ATOM 920 CE MET A 61 -1.469 9.355 -22.435 1.00 72.21 C ATOM 0 H MET A 61 -5.763 10.849 -20.965 1.00 23.32 H new ATOM 0 HA MET A 61 -4.437 11.310 -18.594 1.00 43.21 H new ATOM 0 HB2 MET A 61 -2.680 9.715 -19.792 1.00 12.41 H new ATOM 0 HB3 MET A 61 -4.257 9.131 -19.300 1.00 12.41 H new ATOM 0 HG2 MET A 61 -5.034 8.954 -21.459 1.00 40.05 H new ATOM 0 HG3 MET A 61 -4.069 10.296 -22.041 1.00 40.05 H new ATOM 0 HE1 MET A 61 -0.665 8.797 -22.915 1.00 72.21 H new ATOM 0 HE2 MET A 61 -1.813 10.143 -23.105 1.00 72.21 H new ATOM 0 HE3 MET A 61 -1.101 9.800 -21.511 1.00 72.21 H new ATOM 930 N SER A 62 -2.744 12.442 -21.203 1.00 20.41 N ATOM 931 CA SER A 62 -1.664 13.338 -21.598 1.00 11.41 C ATOM 932 C SER A 62 -2.081 14.797 -21.431 1.00 63.44 C ATOM 933 O SER A 62 -1.257 15.658 -21.121 1.00 71.53 O ATOM 934 CB SER A 62 -1.259 13.075 -23.049 1.00 63.53 C ATOM 935 OG SER A 62 0.000 12.427 -23.118 1.00 32.25 O ATOM 0 H SER A 62 -3.248 12.020 -21.983 1.00 20.41 H new ATOM 0 HA SER A 62 -0.809 13.145 -20.950 1.00 11.41 H new ATOM 0 HB2 SER A 62 -2.016 12.459 -23.535 1.00 63.53 H new ATOM 0 HB3 SER A 62 -1.217 14.018 -23.595 1.00 63.53 H new ATOM 0 HG SER A 62 0.235 12.269 -24.056 1.00 32.25 H new ATOM 941 N ASP A 63 -3.365 15.066 -21.640 1.00 22.21 N ATOM 942 CA ASP A 63 -3.893 16.419 -21.512 1.00 42.13 C ATOM 943 C ASP A 63 -3.606 16.986 -20.125 1.00 74.32 C ATOM 944 O ASP A 63 -3.520 18.201 -19.945 1.00 70.35 O ATOM 945 CB ASP A 63 -5.399 16.429 -21.780 1.00 4.30 C ATOM 946 CG ASP A 63 -5.914 17.809 -22.139 1.00 4.34 C ATOM 947 OD1 ASP A 63 -5.201 18.540 -22.858 1.00 24.24 O ATOM 948 OD2 ASP A 63 -7.029 18.159 -21.699 1.00 54.35 O ATOM 0 H ASP A 63 -4.059 14.365 -21.899 1.00 22.21 H new ATOM 0 HA ASP A 63 -3.396 17.048 -22.251 1.00 42.13 H new ATOM 0 HB2 ASP A 63 -5.625 15.737 -22.592 1.00 4.30 H new ATOM 0 HB3 ASP A 63 -5.925 16.067 -20.897 1.00 4.30 H new ATOM 953 N TYR A 64 -3.461 16.098 -19.148 1.00 12.02 N ATOM 954 CA TYR A 64 -3.188 16.510 -17.776 1.00 32.41 C ATOM 955 C TYR A 64 -4.438 17.090 -17.122 1.00 54.43 C ATOM 956 O TYR A 64 -4.355 17.805 -16.124 1.00 55.04 O ATOM 957 CB TYR A 64 -2.058 17.540 -17.746 1.00 21.34 C ATOM 958 CG TYR A 64 -0.929 17.173 -16.809 1.00 61.43 C ATOM 959 CD1 TYR A 64 -1.186 16.750 -15.511 1.00 11.51 C ATOM 960 CD2 TYR A 64 0.395 17.247 -17.224 1.00 24.03 C ATOM 961 CE1 TYR A 64 -0.158 16.415 -14.652 1.00 25.11 C ATOM 962 CE2 TYR A 64 1.430 16.912 -16.372 1.00 62.11 C ATOM 963 CZ TYR A 64 1.149 16.497 -15.087 1.00 53.01 C ATOM 964 OH TYR A 64 2.176 16.162 -14.235 1.00 0.20 O ATOM 0 H TYR A 64 -3.528 15.089 -19.280 1.00 12.02 H new ATOM 0 HA TYR A 64 -2.882 15.628 -17.213 1.00 32.41 H new ATOM 0 HB2 TYR A 64 -1.659 17.659 -18.753 1.00 21.34 H new ATOM 0 HB3 TYR A 64 -2.466 18.506 -17.449 1.00 21.34 H new ATOM 0 HD1 TYR A 64 -2.208 16.682 -15.168 1.00 11.51 H new ATOM 0 HD2 TYR A 64 0.619 17.572 -18.229 1.00 24.03 H new ATOM 0 HE1 TYR A 64 -0.376 16.091 -13.645 1.00 25.11 H new ATOM 0 HE2 TYR A 64 2.454 16.975 -16.711 1.00 62.11 H new ATOM 0 HH TYR A 64 3.033 16.273 -14.696 1.00 0.20 H new ATOM 974 N ASN A 65 -5.597 16.777 -17.693 1.00 62.53 N ATOM 975 CA ASN A 65 -6.866 17.266 -17.167 1.00 43.42 C ATOM 976 C ASN A 65 -7.664 16.133 -16.529 1.00 41.44 C ATOM 977 O ASN A 65 -8.843 16.292 -16.212 1.00 61.13 O ATOM 978 CB ASN A 65 -7.686 17.919 -18.282 1.00 71.50 C ATOM 979 CG ASN A 65 -8.661 16.951 -18.924 1.00 72.31 C ATOM 980 OD1 ASN A 65 -8.138 15.862 -19.475 1.00 1.42 O flip ATOM 981 ND2 ASN A 65 -9.871 17.179 -18.924 1.00 44.15 N flip ATOM 0 H ASN A 65 -5.683 16.187 -18.520 1.00 62.53 H new ATOM 0 HA ASN A 65 -6.651 18.010 -16.400 1.00 43.42 H new ATOM 0 HB2 ASN A 65 -8.235 18.768 -17.876 1.00 71.50 H new ATOM 0 HB3 ASN A 65 -7.012 18.310 -19.044 1.00 71.50 H new ATOM 0 HD21 ASN A 65 -10.230 18.029 -18.489 1.00 44.15 H new ATOM 0 HD22 ASN A 65 -10.515 16.518 -19.359 1.00 44.15 H new ATOM 988 N VAL A 66 -7.013 14.990 -16.344 1.00 24.44 N ATOM 989 CA VAL A 66 -7.660 13.830 -15.742 1.00 12.10 C ATOM 990 C VAL A 66 -7.218 13.643 -14.295 1.00 70.31 C ATOM 991 O VAL A 66 -6.287 12.889 -14.014 1.00 4.33 O ATOM 992 CB VAL A 66 -7.354 12.544 -16.532 1.00 21.44 C ATOM 993 CG1 VAL A 66 -5.857 12.400 -16.759 1.00 42.43 C ATOM 994 CG2 VAL A 66 -7.910 11.328 -15.805 1.00 43.02 C ATOM 0 H VAL A 66 -6.037 14.842 -16.602 1.00 24.44 H new ATOM 0 HA VAL A 66 -8.734 14.017 -15.769 1.00 12.10 H new ATOM 0 HB VAL A 66 -7.840 12.612 -17.505 1.00 21.44 H new ATOM 0 HG11 VAL A 66 -5.660 11.486 -17.319 1.00 42.43 H new ATOM 0 HG12 VAL A 66 -5.491 13.257 -17.324 1.00 42.43 H new ATOM 0 HG13 VAL A 66 -5.346 12.354 -15.797 1.00 42.43 H new ATOM 0 HG21 VAL A 66 -7.685 10.428 -16.377 1.00 43.02 H new ATOM 0 HG22 VAL A 66 -7.454 11.254 -14.818 1.00 43.02 H new ATOM 0 HG23 VAL A 66 -8.990 11.430 -15.699 1.00 43.02 H new ATOM 1004 N GLN A 67 -7.893 14.333 -13.382 1.00 11.03 N ATOM 1005 CA GLN A 67 -7.569 14.242 -11.963 1.00 11.51 C ATOM 1006 C GLN A 67 -8.491 13.254 -11.256 1.00 41.20 C ATOM 1007 O GLN A 67 -9.339 12.621 -11.885 1.00 22.52 O ATOM 1008 CB GLN A 67 -7.677 15.619 -11.305 1.00 2.03 C ATOM 1009 CG GLN A 67 -9.014 16.302 -11.538 1.00 55.25 C ATOM 1010 CD GLN A 67 -9.208 17.523 -10.661 1.00 4.12 C ATOM 1011 OE1 GLN A 67 -9.081 17.449 -9.438 1.00 53.32 O ATOM 1012 NE2 GLN A 67 -9.515 18.656 -11.281 1.00 74.04 N ATOM 0 H GLN A 67 -8.667 14.961 -13.599 1.00 11.03 H new ATOM 0 HA GLN A 67 -6.544 13.883 -11.872 1.00 11.51 H new ATOM 0 HB2 GLN A 67 -7.515 15.513 -10.232 1.00 2.03 H new ATOM 0 HB3 GLN A 67 -6.881 16.258 -11.687 1.00 2.03 H new ATOM 0 HG2 GLN A 67 -9.090 16.596 -12.585 1.00 55.25 H new ATOM 0 HG3 GLN A 67 -9.818 15.591 -11.348 1.00 55.25 H new ATOM 0 HE21 GLN A 67 -9.610 18.672 -12.296 1.00 74.04 H new ATOM 0 HE22 GLN A 67 -9.655 19.510 -10.742 1.00 74.04 H new ATOM 1021 N LYS A 68 -8.319 13.127 -9.945 1.00 34.14 N ATOM 1022 CA LYS A 68 -9.136 12.217 -9.151 1.00 21.55 C ATOM 1023 C LYS A 68 -10.621 12.496 -9.358 1.00 60.12 C ATOM 1024 O LYS A 68 -11.450 11.591 -9.267 1.00 10.31 O ATOM 1025 CB LYS A 68 -8.784 12.346 -7.667 1.00 34.13 C ATOM 1026 CG LYS A 68 -9.449 11.298 -6.791 1.00 10.24 C ATOM 1027 CD LYS A 68 -8.880 9.913 -7.048 1.00 42.24 C ATOM 1028 CE LYS A 68 -7.652 9.647 -6.191 1.00 62.13 C ATOM 1029 NZ LYS A 68 -7.967 9.705 -4.737 1.00 71.31 N ATOM 0 H LYS A 68 -7.621 13.643 -9.409 1.00 34.14 H new ATOM 0 HA LYS A 68 -8.927 11.200 -9.481 1.00 21.55 H new ATOM 0 HB2 LYS A 68 -7.703 12.272 -7.551 1.00 34.13 H new ATOM 0 HB3 LYS A 68 -9.075 13.337 -7.318 1.00 34.13 H new ATOM 0 HG2 LYS A 68 -9.312 11.560 -5.742 1.00 10.24 H new ATOM 0 HG3 LYS A 68 -10.522 11.292 -6.980 1.00 10.24 H new ATOM 0 HD2 LYS A 68 -9.641 9.161 -6.838 1.00 42.24 H new ATOM 0 HD3 LYS A 68 -8.618 9.816 -8.102 1.00 42.24 H new ATOM 0 HE2 LYS A 68 -7.244 8.666 -6.435 1.00 62.13 H new ATOM 0 HE3 LYS A 68 -6.880 10.380 -6.425 1.00 62.13 H new ATOM 0 HZ1 LYS A 68 -7.299 9.105 -4.213 1.00 71.31 H new ATOM 0 HZ2 LYS A 68 -7.886 10.687 -4.403 1.00 71.31 H new ATOM 0 HZ3 LYS A 68 -8.937 9.364 -4.578 1.00 71.31 H new ATOM 1043 N GLU A 69 -10.948 13.753 -9.639 1.00 54.32 N ATOM 1044 CA GLU A 69 -12.334 14.150 -9.860 1.00 71.14 C ATOM 1045 C GLU A 69 -12.411 15.373 -10.769 1.00 54.51 C ATOM 1046 O GLU A 69 -12.420 16.510 -10.298 1.00 14.55 O ATOM 1047 CB GLU A 69 -13.022 14.447 -8.526 1.00 41.44 C ATOM 1048 CG GLU A 69 -12.201 15.331 -7.602 1.00 70.11 C ATOM 1049 CD GLU A 69 -13.062 16.144 -6.656 1.00 14.34 C ATOM 1050 OE1 GLU A 69 -14.044 15.587 -6.121 1.00 54.43 O ATOM 1051 OE2 GLU A 69 -12.755 17.337 -6.449 1.00 71.23 O ATOM 0 H GLU A 69 -10.273 14.514 -9.719 1.00 54.32 H new ATOM 0 HA GLU A 69 -12.849 13.323 -10.349 1.00 71.14 H new ATOM 0 HB2 GLU A 69 -13.980 14.929 -8.720 1.00 41.44 H new ATOM 0 HB3 GLU A 69 -13.236 13.506 -8.019 1.00 41.44 H new ATOM 0 HG2 GLU A 69 -11.518 14.709 -7.023 1.00 70.11 H new ATOM 0 HG3 GLU A 69 -11.588 16.005 -8.200 1.00 70.11 H new ATOM 1058 N SER A 70 -12.466 15.131 -12.075 1.00 14.02 N ATOM 1059 CA SER A 70 -12.538 16.212 -13.051 1.00 13.24 C ATOM 1060 C SER A 70 -13.928 16.288 -13.675 1.00 51.45 C ATOM 1061 O SER A 70 -14.501 15.273 -14.072 1.00 64.23 O ATOM 1062 CB SER A 70 -11.486 16.013 -14.143 1.00 21.30 C ATOM 1063 OG SER A 70 -10.933 17.252 -14.551 1.00 53.02 O ATOM 0 H SER A 70 -12.462 14.196 -12.482 1.00 14.02 H new ATOM 0 HA SER A 70 -12.339 17.150 -12.533 1.00 13.24 H new ATOM 0 HB2 SER A 70 -10.694 15.361 -13.774 1.00 21.30 H new ATOM 0 HB3 SER A 70 -11.937 15.513 -15.000 1.00 21.30 H new ATOM 0 HG SER A 70 -10.163 17.090 -15.136 1.00 53.02 H new ATOM 1069 N THR A 71 -14.467 17.501 -13.760 1.00 5.10 N ATOM 1070 CA THR A 71 -15.789 17.712 -14.335 1.00 31.32 C ATOM 1071 C THR A 71 -15.695 18.070 -15.813 1.00 72.05 C ATOM 1072 O THR A 71 -15.068 19.063 -16.184 1.00 2.34 O ATOM 1073 CB THR A 71 -16.552 18.827 -13.595 1.00 42.24 C ATOM 1074 OG1 THR A 71 -15.639 19.844 -13.166 1.00 61.44 O ATOM 1075 CG2 THR A 71 -17.297 18.268 -12.393 1.00 73.22 C ATOM 0 H THR A 71 -14.007 18.352 -13.437 1.00 5.10 H new ATOM 0 HA THR A 71 -16.335 16.775 -14.226 1.00 31.32 H new ATOM 0 HB THR A 71 -17.278 19.258 -14.284 1.00 42.24 H new ATOM 0 HG1 THR A 71 -16.132 20.550 -12.698 1.00 61.44 H new ATOM 0 HG21 THR A 71 -17.828 19.074 -11.887 1.00 73.22 H new ATOM 0 HG22 THR A 71 -18.012 17.515 -12.726 1.00 73.22 H new ATOM 0 HG23 THR A 71 -16.586 17.813 -11.704 1.00 73.22 H new ATOM 1083 N LEU A 72 -16.323 17.256 -16.655 1.00 44.34 N ATOM 1084 CA LEU A 72 -16.311 17.488 -18.096 1.00 4.13 C ATOM 1085 C LEU A 72 -17.722 17.417 -18.670 1.00 43.45 C ATOM 1086 O LEU A 72 -18.591 16.735 -18.127 1.00 51.03 O ATOM 1087 CB LEU A 72 -15.413 16.462 -18.790 1.00 2.33 C ATOM 1088 CG LEU A 72 -16.105 15.194 -19.290 1.00 52.23 C ATOM 1089 CD1 LEU A 72 -16.437 15.316 -20.770 1.00 23.54 C ATOM 1090 CD2 LEU A 72 -15.232 13.974 -19.036 1.00 12.02 C ATOM 0 H LEU A 72 -16.847 16.430 -16.365 1.00 44.34 H new ATOM 0 HA LEU A 72 -15.916 18.488 -18.275 1.00 4.13 H new ATOM 0 HB2 LEU A 72 -14.930 16.947 -19.638 1.00 2.33 H new ATOM 0 HB3 LEU A 72 -14.624 16.172 -18.097 1.00 2.33 H new ATOM 0 HG LEU A 72 -17.037 15.070 -18.738 1.00 52.23 H new ATOM 0 HD11 LEU A 72 -16.929 14.404 -21.109 1.00 23.54 H new ATOM 0 HD12 LEU A 72 -17.101 16.166 -20.925 1.00 23.54 H new ATOM 0 HD13 LEU A 72 -15.519 15.465 -21.338 1.00 23.54 H new ATOM 0 HD21 LEU A 72 -15.741 13.081 -19.398 1.00 12.02 H new ATOM 0 HD22 LEU A 72 -14.284 14.090 -19.561 1.00 12.02 H new ATOM 0 HD23 LEU A 72 -15.045 13.877 -17.967 1.00 12.02 H new ATOM 1102 N HIS A 73 -17.942 18.125 -19.774 1.00 1.21 N ATOM 1103 CA HIS A 73 -19.247 18.140 -20.425 1.00 13.45 C ATOM 1104 C HIS A 73 -19.288 17.150 -21.584 1.00 43.05 C ATOM 1105 O HIS A 73 -18.504 17.252 -22.529 1.00 64.20 O ATOM 1106 CB HIS A 73 -19.573 19.547 -20.928 1.00 33.21 C ATOM 1107 CG HIS A 73 -21.032 19.768 -21.184 1.00 73.03 C ATOM 1108 ND1 HIS A 73 -21.879 18.772 -21.622 1.00 20.50 N ATOM 1109 CD2 HIS A 73 -21.794 20.880 -21.060 1.00 74.34 C ATOM 1110 CE1 HIS A 73 -23.098 19.261 -21.758 1.00 14.20 C ATOM 1111 NE2 HIS A 73 -23.074 20.539 -21.423 1.00 72.40 N ATOM 0 H HIS A 73 -17.234 18.695 -20.236 1.00 1.21 H new ATOM 0 HA HIS A 73 -19.995 17.842 -19.691 1.00 13.45 H new ATOM 0 HB2 HIS A 73 -19.227 20.275 -20.195 1.00 33.21 H new ATOM 0 HB3 HIS A 73 -19.019 19.733 -21.848 1.00 33.21 H new ATOM 0 HD2 HIS A 73 -21.458 21.854 -20.736 1.00 74.34 H new ATOM 0 HE1 HIS A 73 -23.967 18.710 -22.087 1.00 14.20 H new ATOM 0 HE2 HIS A 73 -23.876 21.170 -21.432 1.00 72.40 H new ATOM 1119 N LEU A 74 -20.205 16.192 -21.507 1.00 10.45 N ATOM 1120 CA LEU A 74 -20.347 15.183 -22.550 1.00 34.43 C ATOM 1121 C LEU A 74 -21.636 15.393 -23.339 1.00 23.32 C ATOM 1122 O LEU A 74 -22.734 15.309 -22.788 1.00 42.35 O ATOM 1123 CB LEU A 74 -20.335 13.782 -21.936 1.00 24.52 C ATOM 1124 CG LEU A 74 -20.901 12.661 -22.809 1.00 3.02 C ATOM 1125 CD1 LEU A 74 -20.095 12.525 -24.091 1.00 70.14 C ATOM 1126 CD2 LEU A 74 -20.916 11.345 -22.044 1.00 50.42 C ATOM 0 H LEU A 74 -20.861 16.093 -20.733 1.00 10.45 H new ATOM 0 HA LEU A 74 -19.504 15.281 -23.234 1.00 34.43 H new ATOM 0 HB2 LEU A 74 -19.307 13.529 -21.677 1.00 24.52 H new ATOM 0 HB3 LEU A 74 -20.900 13.811 -21.005 1.00 24.52 H new ATOM 0 HG LEU A 74 -21.927 12.916 -23.074 1.00 3.02 H new ATOM 0 HD11 LEU A 74 -20.512 11.723 -24.700 1.00 70.14 H new ATOM 0 HD12 LEU A 74 -20.136 13.461 -24.647 1.00 70.14 H new ATOM 0 HD13 LEU A 74 -19.058 12.293 -23.846 1.00 70.14 H new ATOM 0 HD21 LEU A 74 -21.322 10.559 -22.681 1.00 50.42 H new ATOM 0 HD22 LEU A 74 -19.900 11.084 -21.749 1.00 50.42 H new ATOM 0 HD23 LEU A 74 -21.537 11.448 -21.154 1.00 50.42 H new ATOM 1138 N VAL A 75 -21.494 15.664 -24.632 1.00 62.44 N ATOM 1139 CA VAL A 75 -22.646 15.882 -25.499 1.00 11.24 C ATOM 1140 C VAL A 75 -22.808 14.741 -26.496 1.00 42.15 C ATOM 1141 O VAL A 75 -21.834 14.282 -27.095 1.00 42.30 O ATOM 1142 CB VAL A 75 -22.525 17.210 -26.269 1.00 50.33 C ATOM 1143 CG1 VAL A 75 -22.527 18.388 -25.307 1.00 54.31 C ATOM 1144 CG2 VAL A 75 -21.269 17.215 -27.128 1.00 12.03 C ATOM 0 H VAL A 75 -20.592 15.738 -25.103 1.00 62.44 H new ATOM 0 HA VAL A 75 -23.524 15.923 -24.854 1.00 11.24 H new ATOM 0 HB VAL A 75 -23.388 17.308 -26.927 1.00 50.33 H new ATOM 0 HG11 VAL A 75 -22.441 19.317 -25.870 1.00 54.31 H new ATOM 0 HG12 VAL A 75 -23.457 18.393 -24.739 1.00 54.31 H new ATOM 0 HG13 VAL A 75 -21.684 18.299 -24.621 1.00 54.31 H new ATOM 0 HG21 VAL A 75 -21.199 18.161 -27.665 1.00 12.03 H new ATOM 0 HG22 VAL A 75 -20.392 17.094 -26.492 1.00 12.03 H new ATOM 0 HG23 VAL A 75 -21.314 16.394 -27.843 1.00 12.03 H new ATOM 1154 N LEU A 76 -24.044 14.287 -26.672 1.00 23.21 N ATOM 1155 CA LEU A 76 -24.334 13.198 -27.599 1.00 14.42 C ATOM 1156 C LEU A 76 -25.376 13.624 -28.629 1.00 31.24 C ATOM 1157 O LEU A 76 -26.364 14.278 -28.293 1.00 45.24 O ATOM 1158 CB LEU A 76 -24.829 11.969 -26.834 1.00 41.40 C ATOM 1159 CG LEU A 76 -24.552 11.958 -25.330 1.00 54.52 C ATOM 1160 CD1 LEU A 76 -25.678 12.648 -24.575 1.00 53.04 C ATOM 1161 CD2 LEU A 76 -24.369 10.532 -24.832 1.00 0.30 C ATOM 0 H LEU A 76 -24.861 14.656 -26.185 1.00 23.21 H new ATOM 0 HA LEU A 76 -23.413 12.945 -28.124 1.00 14.42 H new ATOM 0 HB2 LEU A 76 -25.905 11.880 -26.986 1.00 41.40 H new ATOM 0 HB3 LEU A 76 -24.371 11.083 -27.274 1.00 41.40 H new ATOM 0 HG LEU A 76 -23.629 12.507 -25.146 1.00 54.52 H new ATOM 0 HD11 LEU A 76 -25.464 12.631 -23.506 1.00 53.04 H new ATOM 0 HD12 LEU A 76 -25.762 13.681 -24.911 1.00 53.04 H new ATOM 0 HD13 LEU A 76 -26.616 12.127 -24.765 1.00 53.04 H new ATOM 0 HD21 LEU A 76 -24.173 10.543 -23.760 1.00 0.30 H new ATOM 0 HD22 LEU A 76 -25.275 9.959 -25.029 1.00 0.30 H new ATOM 0 HD23 LEU A 76 -23.528 10.071 -25.350 1.00 0.30 H new ATOM 1173 N ARG A 77 -25.150 13.246 -29.882 1.00 62.25 N ATOM 1174 CA ARG A 77 -26.069 13.587 -30.961 1.00 52.32 C ATOM 1175 C ARG A 77 -26.678 12.330 -31.575 1.00 33.12 C ATOM 1176 O ARG A 77 -26.558 12.092 -32.777 1.00 64.13 O ATOM 1177 CB ARG A 77 -25.346 14.395 -32.040 1.00 42.21 C ATOM 1178 CG ARG A 77 -24.049 13.758 -32.511 1.00 43.00 C ATOM 1179 CD ARG A 77 -22.836 14.527 -32.010 1.00 32.01 C ATOM 1180 NE ARG A 77 -22.513 15.661 -32.872 1.00 22.05 N ATOM 1181 CZ ARG A 77 -21.654 16.617 -32.536 1.00 42.23 C ATOM 1182 NH1 ARG A 77 -21.035 16.576 -31.364 1.00 70.04 N ATOM 1183 NH2 ARG A 77 -21.412 17.617 -33.374 1.00 41.04 N ATOM 0 H ARG A 77 -24.338 12.703 -30.176 1.00 62.25 H new ATOM 0 HA ARG A 77 -26.873 14.192 -30.541 1.00 52.32 H new ATOM 0 HB2 ARG A 77 -26.011 14.520 -32.895 1.00 42.21 H new ATOM 0 HB3 ARG A 77 -25.132 15.392 -31.654 1.00 42.21 H new ATOM 0 HG2 ARG A 77 -23.999 12.728 -32.158 1.00 43.00 H new ATOM 0 HG3 ARG A 77 -24.034 13.723 -33.600 1.00 43.00 H new ATOM 0 HD2 ARG A 77 -23.026 14.884 -30.998 1.00 32.01 H new ATOM 0 HD3 ARG A 77 -21.978 13.856 -31.956 1.00 32.01 H new ATOM 0 HE ARG A 77 -22.972 15.722 -33.781 1.00 22.05 H new ATOM 0 HH11 ARG A 77 -21.218 15.809 -30.717 1.00 70.04 H new ATOM 0 HH12 ARG A 77 -20.376 17.312 -31.109 1.00 70.04 H new ATOM 0 HH21 ARG A 77 -21.886 17.652 -34.277 1.00 41.04 H new ATOM 0 HH22 ARG A 77 -20.752 18.351 -33.115 1.00 41.04 H new