USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 127 SER OG : rot -21:sc= 0.914 USER MOD Set 1.2: A 129 THR OG1 : rot -62:sc= 1.61 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -102:sc= 0.101 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.816) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -130:sc= -0.897 USER MOD Single : A 84 GLN : amide:sc= -3.88! C(o=-3.9!,f=-8.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 153:sc= -0.129 (180deg=-1.01) USER MOD Single : A 92 SER OG : rot 94:sc= 0.229 USER MOD Single : A 94 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0518 K(o=-0.052,f=-2!) USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.0395 (180deg=-0.498) USER MOD Single : A 117 SER OG : rot -32:sc= 0.246 USER MOD Single : A 119 ASN : amide:sc= -0.0275 K(o=-0.028,f=-1.8!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -57:sc= -0.0796 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -8:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 14.364 -22.376 11.976 1.00 0.00 N ATOM 2 CA GLY A -4 13.876 -23.280 13.054 1.00 0.00 C ATOM 3 C GLY A -4 14.685 -24.575 13.046 1.00 0.00 C ATOM 4 O GLY A -4 15.391 -24.876 12.079 1.00 0.00 O ATOM 0 H1 GLY A -4 14.968 -21.637 12.389 1.00 0.00 H new ATOM 0 H2 GLY A -4 14.913 -22.925 11.285 1.00 0.00 H new ATOM 0 H3 GLY A -4 13.552 -21.933 11.500 1.00 0.00 H new ATOM 0 HA2 GLY A -4 13.968 -22.789 14.023 1.00 0.00 H new ATOM 0 HA3 GLY A -4 12.819 -23.500 12.907 1.00 0.00 H new ATOM 10 N PRO A -3 14.586 -25.344 14.100 1.00 0.00 N ATOM 11 CA PRO A -3 15.320 -26.640 14.234 1.00 0.00 C ATOM 12 C PRO A -3 14.926 -27.631 13.139 1.00 0.00 C ATOM 13 O PRO A -3 15.605 -28.636 12.926 1.00 0.00 O ATOM 14 CB PRO A -3 14.924 -27.146 15.638 1.00 0.00 C ATOM 15 CG PRO A -3 13.653 -26.427 15.962 1.00 0.00 C ATOM 16 CD PRO A -3 13.761 -25.065 15.287 1.00 0.00 C ATOM 0 HA PRO A -3 16.398 -26.523 14.123 1.00 0.00 H new ATOM 0 HB2 PRO A -3 14.779 -28.226 15.642 1.00 0.00 H new ATOM 0 HB3 PRO A -3 15.700 -26.926 16.371 1.00 0.00 H new ATOM 0 HG2 PRO A -3 12.788 -26.978 15.594 1.00 0.00 H new ATOM 0 HG3 PRO A -3 13.528 -26.320 17.040 1.00 0.00 H new ATOM 0 HD2 PRO A -3 12.782 -24.672 15.014 1.00 0.00 H new ATOM 0 HD3 PRO A -3 14.230 -24.328 15.939 1.00 0.00 H new ATOM 24 N LEU A -2 13.830 -27.339 12.451 1.00 0.00 N ATOM 25 CA LEU A -2 13.360 -28.211 11.384 1.00 0.00 C ATOM 26 C LEU A -2 14.425 -28.341 10.302 1.00 0.00 C ATOM 27 O LEU A -2 14.658 -29.430 9.777 1.00 0.00 O ATOM 28 CB LEU A -2 12.068 -27.650 10.777 1.00 0.00 C ATOM 29 CG LEU A -2 11.565 -28.562 9.643 1.00 0.00 C ATOM 30 CD1 LEU A -2 11.270 -29.972 10.188 1.00 0.00 C ATOM 31 CD2 LEU A -2 10.285 -27.962 9.051 1.00 0.00 C ATOM 0 H LEU A -2 13.254 -26.512 12.611 1.00 0.00 H new ATOM 0 HA LEU A -2 13.159 -29.197 11.802 1.00 0.00 H new ATOM 0 HB2 LEU A -2 11.304 -27.565 11.549 1.00 0.00 H new ATOM 0 HB3 LEU A -2 12.246 -26.646 10.392 1.00 0.00 H new ATOM 0 HG LEU A -2 12.332 -28.637 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A -2 10.915 -30.608 9.377 1.00 0.00 H new ATOM 0 HD12 LEU A -2 12.181 -30.397 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A -2 10.505 -29.910 10.962 1.00 0.00 H new ATOM 0 HD21 LEU A -2 9.922 -28.602 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A -2 9.524 -27.889 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A -2 10.498 -26.968 8.656 1.00 0.00 H new ATOM 43 N GLY A -1 15.069 -27.221 9.969 1.00 0.00 N ATOM 44 CA GLY A -1 16.112 -27.211 8.935 1.00 0.00 C ATOM 45 C GLY A -1 15.737 -26.269 7.797 1.00 0.00 C ATOM 46 O GLY A -1 14.888 -26.585 6.963 1.00 0.00 O ATOM 0 H GLY A -1 14.890 -26.312 10.396 1.00 0.00 H new ATOM 0 HA2 GLY A -1 17.061 -26.901 9.372 1.00 0.00 H new ATOM 0 HA3 GLY A -1 16.255 -28.219 8.546 1.00 0.00 H new ATOM 50 N SER A 0 16.380 -25.110 7.770 1.00 0.00 N ATOM 51 CA SER A 0 16.110 -24.120 6.733 1.00 0.00 C ATOM 52 C SER A 0 16.626 -24.600 5.382 1.00 0.00 C ATOM 53 O SER A 0 16.259 -24.063 4.337 1.00 0.00 O ATOM 54 CB SER A 0 16.774 -22.793 7.096 1.00 0.00 C ATOM 55 OG SER A 0 16.198 -22.291 8.293 1.00 0.00 O ATOM 0 H SER A 0 17.088 -24.832 8.449 1.00 0.00 H new ATOM 0 HA SER A 0 15.031 -23.979 6.663 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.847 -22.934 7.227 1.00 0.00 H new ATOM 0 HB3 SER A 0 16.643 -22.075 6.287 1.00 0.00 H new ATOM 0 HG SER A 0 16.624 -21.440 8.529 1.00 0.00 H new ATOM 61 N ARG A 74 17.474 -25.618 5.410 1.00 0.00 N ATOM 62 CA ARG A 74 18.036 -26.167 4.185 1.00 0.00 C ATOM 63 C ARG A 74 16.932 -26.722 3.291 1.00 0.00 C ATOM 64 O ARG A 74 17.095 -26.806 2.075 1.00 0.00 O ATOM 65 CB ARG A 74 19.051 -27.266 4.514 1.00 0.00 C ATOM 66 CG ARG A 74 19.683 -27.779 3.218 1.00 0.00 C ATOM 67 CD ARG A 74 20.880 -28.673 3.550 1.00 0.00 C ATOM 68 NE ARG A 74 21.423 -29.265 2.331 1.00 0.00 N ATOM 69 CZ ARG A 74 22.666 -29.733 2.285 1.00 0.00 C ATOM 70 NH1 ARG A 74 23.441 -29.629 3.330 1.00 0.00 N ATOM 71 NH2 ARG A 74 23.116 -30.286 1.193 1.00 0.00 N ATOM 0 H ARG A 74 17.787 -26.079 6.264 1.00 0.00 H new ATOM 0 HA ARG A 74 18.545 -25.366 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 74 19.822 -26.877 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 74 18.560 -28.084 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.948 -28.338 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.003 -26.940 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 74 21.650 -28.089 4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 74 20.575 -29.460 4.240 1.00 0.00 H new ATOM 0 HE ARG A 74 20.837 -29.321 1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 74 23.093 -29.189 4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 74 24.395 -29.988 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.514 -30.360 0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 74 24.070 -30.645 1.159 1.00 0.00 H new ATOM 85 N LYS A 75 15.813 -27.113 3.899 1.00 0.00 N ATOM 86 CA LYS A 75 14.695 -27.673 3.137 1.00 0.00 C ATOM 87 C LYS A 75 13.802 -26.575 2.579 1.00 0.00 C ATOM 88 O LYS A 75 12.847 -26.843 1.850 1.00 0.00 O ATOM 89 CB LYS A 75 13.856 -28.589 4.029 1.00 0.00 C ATOM 90 CG LYS A 75 14.706 -29.774 4.496 1.00 0.00 C ATOM 91 CD LYS A 75 13.817 -30.835 5.159 1.00 0.00 C ATOM 92 CE LYS A 75 13.267 -30.322 6.495 1.00 0.00 C ATOM 93 NZ LYS A 75 12.537 -31.425 7.180 1.00 0.00 N ATOM 0 H LYS A 75 15.656 -27.054 4.905 1.00 0.00 H new ATOM 0 HA LYS A 75 15.114 -28.242 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.485 -28.034 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.985 -28.948 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.233 -30.210 3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.464 -29.432 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.992 -31.092 4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.391 -31.747 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.082 -29.964 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.599 -29.477 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.564 -31.121 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.514 -32.262 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.022 -31.663 8.068 1.00 0.00 H new ATOM 107 N ILE A 76 14.124 -25.341 2.922 1.00 0.00 N ATOM 108 CA ILE A 76 13.353 -24.192 2.444 1.00 0.00 C ATOM 109 C ILE A 76 13.865 -23.738 1.081 1.00 0.00 C ATOM 110 O ILE A 76 15.069 -23.586 0.879 1.00 0.00 O ATOM 111 CB ILE A 76 13.446 -23.031 3.437 1.00 0.00 C ATOM 112 CG1 ILE A 76 12.871 -23.470 4.788 1.00 0.00 C ATOM 113 CG2 ILE A 76 12.640 -21.844 2.902 1.00 0.00 C ATOM 114 CD1 ILE A 76 13.136 -22.392 5.843 1.00 0.00 C ATOM 0 H ILE A 76 14.910 -25.102 3.527 1.00 0.00 H new ATOM 0 HA ILE A 76 12.311 -24.498 2.352 1.00 0.00 H new ATOM 0 HB ILE A 76 14.488 -22.739 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.799 -23.646 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 76 13.324 -24.412 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.703 -21.014 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.045 -21.534 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 76 11.597 -22.138 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.724 -22.711 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.210 -22.237 5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.662 -21.459 5.537 1.00 0.00 H new ATOM 126 N ALA A 77 12.942 -23.529 0.147 1.00 0.00 N ATOM 127 CA ALA A 77 13.316 -23.096 -1.195 1.00 0.00 C ATOM 128 C ALA A 77 13.976 -21.724 -1.147 1.00 0.00 C ATOM 129 O ALA A 77 13.603 -20.872 -0.340 1.00 0.00 O ATOM 130 CB ALA A 77 12.074 -23.035 -2.085 1.00 0.00 C ATOM 0 H ALA A 77 11.940 -23.651 0.292 1.00 0.00 H new ATOM 0 HA ALA A 77 14.025 -23.814 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.359 -22.711 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.617 -24.023 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.359 -22.327 -1.665 1.00 0.00 H new ATOM 136 N GLN A 78 14.963 -21.516 -2.014 1.00 0.00 N ATOM 137 CA GLN A 78 15.670 -20.241 -2.055 1.00 0.00 C ATOM 138 C GLN A 78 14.746 -19.133 -2.551 1.00 0.00 C ATOM 139 O GLN A 78 13.963 -19.329 -3.480 1.00 0.00 O ATOM 140 CB GLN A 78 16.886 -20.348 -2.978 1.00 0.00 C ATOM 141 CG GLN A 78 17.881 -21.354 -2.400 1.00 0.00 C ATOM 142 CD GLN A 78 19.076 -21.505 -3.336 1.00 0.00 C ATOM 143 OE1 GLN A 78 19.059 -20.915 -4.499 1.00 0.00 O flip ATOM 144 NE2 GLN A 78 20.050 -22.180 -2.999 1.00 0.00 N flip ATOM 0 H GLN A 78 15.288 -22.206 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 78 16.002 -19.997 -1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.573 -20.662 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.361 -19.373 -3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 78 18.218 -21.021 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 78 17.394 -22.319 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 78 20.061 -22.640 -2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.845 -22.278 -3.630 1.00 0.00 H new ATOM 153 N MET A 79 14.843 -17.969 -1.917 1.00 0.00 N ATOM 154 CA MET A 79 14.015 -16.830 -2.294 1.00 0.00 C ATOM 155 C MET A 79 14.568 -16.152 -3.543 1.00 0.00 C ATOM 156 O MET A 79 15.771 -16.194 -3.800 1.00 0.00 O ATOM 157 CB MET A 79 13.956 -15.820 -1.142 1.00 0.00 C ATOM 158 CG MET A 79 15.354 -15.633 -0.528 1.00 0.00 C ATOM 159 SD MET A 79 15.645 -16.911 0.720 1.00 0.00 S ATOM 160 CE MET A 79 17.001 -16.076 1.581 1.00 0.00 C ATOM 0 H MET A 79 15.484 -17.790 -1.144 1.00 0.00 H new ATOM 0 HA MET A 79 13.010 -17.193 -2.509 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.580 -14.864 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 79 13.259 -16.167 -0.379 1.00 0.00 H new ATOM 0 HG2 MET A 79 16.115 -15.691 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 79 15.435 -14.644 -0.076 1.00 0.00 H new ATOM 0 HE1 MET A 79 17.345 -16.698 2.408 1.00 0.00 H new ATOM 0 HE2 MET A 79 17.824 -15.908 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 79 16.652 -15.119 1.968 1.00 0.00 H new ATOM 170 N THR A 80 13.684 -15.521 -4.314 1.00 0.00 N ATOM 171 CA THR A 80 14.104 -14.832 -5.527 1.00 0.00 C ATOM 172 C THR A 80 14.662 -13.457 -5.186 1.00 0.00 C ATOM 173 O THR A 80 14.493 -12.969 -4.069 1.00 0.00 O ATOM 174 CB THR A 80 12.924 -14.696 -6.492 1.00 0.00 C ATOM 175 OG1 THR A 80 11.906 -13.917 -5.888 1.00 0.00 O ATOM 176 CG2 THR A 80 12.379 -16.085 -6.826 1.00 0.00 C ATOM 0 H THR A 80 12.684 -15.474 -4.121 1.00 0.00 H new ATOM 0 HA THR A 80 14.887 -15.418 -6.008 1.00 0.00 H new ATOM 0 HB THR A 80 13.256 -14.207 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.047 -14.383 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.538 -15.990 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.163 -16.681 -7.292 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.046 -16.575 -5.911 1.00 0.00 H new ATOM 184 N GLU A 82 15.334 -12.842 -6.149 1.00 0.00 N ATOM 185 CA GLU A 82 15.921 -11.527 -5.932 1.00 0.00 C ATOM 186 C GLU A 82 14.836 -10.501 -5.624 1.00 0.00 C ATOM 187 O GLU A 82 15.002 -9.654 -4.746 1.00 0.00 O ATOM 188 CB GLU A 82 16.688 -11.093 -7.185 1.00 0.00 C ATOM 189 CG GLU A 82 17.932 -11.971 -7.363 1.00 0.00 C ATOM 190 CD GLU A 82 17.540 -13.334 -7.932 1.00 0.00 C ATOM 191 OE1 GLU A 82 16.411 -13.470 -8.375 1.00 0.00 O ATOM 192 OE2 GLU A 82 18.372 -14.224 -7.911 1.00 0.00 O ATOM 0 H GLU A 82 15.486 -13.228 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 82 16.602 -11.586 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.046 -11.174 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.980 -10.046 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.640 -11.480 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.435 -12.100 -6.405 1.00 0.00 H new ATOM 199 N GLU A 83 13.722 -10.584 -6.347 1.00 0.00 N ATOM 200 CA GLU A 83 12.621 -9.653 -6.136 1.00 0.00 C ATOM 201 C GLU A 83 11.927 -9.923 -4.804 1.00 0.00 C ATOM 202 O GLU A 83 11.544 -8.990 -4.098 1.00 0.00 O ATOM 203 CB GLU A 83 11.611 -9.769 -7.287 1.00 0.00 C ATOM 204 CG GLU A 83 10.995 -11.178 -7.315 1.00 0.00 C ATOM 205 CD GLU A 83 9.853 -11.292 -6.303 1.00 0.00 C ATOM 206 OE1 GLU A 83 9.373 -10.264 -5.853 1.00 0.00 O ATOM 207 OE2 GLU A 83 9.474 -12.410 -5.991 1.00 0.00 O ATOM 0 H GLU A 83 13.560 -11.279 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 83 13.026 -8.641 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.825 -9.023 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.105 -9.562 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.623 -11.397 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.762 -11.919 -7.090 1.00 0.00 H new ATOM 214 N GLN A 84 11.763 -11.202 -4.465 1.00 0.00 N ATOM 215 CA GLN A 84 11.112 -11.565 -3.226 1.00 0.00 C ATOM 216 C GLN A 84 11.942 -11.110 -2.033 1.00 0.00 C ATOM 217 O GLN A 84 11.405 -10.634 -1.033 1.00 0.00 O ATOM 218 CB GLN A 84 10.929 -13.082 -3.174 1.00 0.00 C ATOM 219 CG GLN A 84 9.998 -13.450 -2.025 1.00 0.00 C ATOM 220 CD GLN A 84 10.726 -13.333 -0.689 1.00 0.00 C ATOM 221 OE1 GLN A 84 11.939 -13.512 -0.622 1.00 0.00 O ATOM 222 NE2 GLN A 84 10.050 -13.033 0.387 1.00 0.00 N ATOM 0 H GLN A 84 12.072 -11.991 -5.032 1.00 0.00 H new ATOM 0 HA GLN A 84 10.140 -11.074 -3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.517 -13.440 -4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.895 -13.570 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.127 -12.794 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.631 -14.468 -2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.042 -12.884 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.529 -12.947 1.283 1.00 0.00 H new ATOM 231 N PHE A 85 13.256 -11.271 -2.141 1.00 0.00 N ATOM 232 CA PHE A 85 14.154 -10.886 -1.062 1.00 0.00 C ATOM 233 C PHE A 85 14.055 -9.391 -0.781 1.00 0.00 C ATOM 234 O PHE A 85 13.936 -8.975 0.369 1.00 0.00 O ATOM 235 CB PHE A 85 15.594 -11.244 -1.425 1.00 0.00 C ATOM 236 CG PHE A 85 16.511 -10.841 -0.296 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.629 -11.661 0.832 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.246 -9.651 -0.376 1.00 0.00 C ATOM 239 CE1 PHE A 85 17.477 -11.291 1.883 1.00 0.00 C ATOM 240 CE2 PHE A 85 18.094 -9.281 0.673 1.00 0.00 C ATOM 241 CZ PHE A 85 18.210 -10.100 1.803 1.00 0.00 C ATOM 0 H PHE A 85 13.720 -11.663 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 85 13.859 -11.430 -0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.678 -12.315 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.886 -10.736 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 85 16.065 -12.580 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.158 -9.019 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 85 17.566 -11.923 2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.660 -8.363 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.865 -9.813 2.613 1.00 0.00 H new ATOM 251 N ALA A 86 14.113 -8.586 -1.838 1.00 0.00 N ATOM 252 CA ALA A 86 14.043 -7.139 -1.677 1.00 0.00 C ATOM 253 C ALA A 86 12.727 -6.731 -1.027 1.00 0.00 C ATOM 254 O ALA A 86 12.702 -5.877 -0.144 1.00 0.00 O ATOM 255 CB ALA A 86 14.169 -6.461 -3.042 1.00 0.00 C ATOM 0 H ALA A 86 14.207 -8.906 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 86 14.863 -6.824 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.116 -5.379 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.124 -6.728 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.356 -6.792 -3.689 1.00 0.00 H new ATOM 261 N LEU A 87 11.639 -7.354 -1.457 1.00 0.00 N ATOM 262 CA LEU A 87 10.330 -7.048 -0.901 1.00 0.00 C ATOM 263 C LEU A 87 10.272 -7.421 0.572 1.00 0.00 C ATOM 264 O LEU A 87 9.652 -6.724 1.375 1.00 0.00 O ATOM 265 CB LEU A 87 9.242 -7.797 -1.670 1.00 0.00 C ATOM 266 CG LEU A 87 9.117 -7.219 -3.089 1.00 0.00 C ATOM 267 CD1 LEU A 87 8.187 -8.116 -3.913 1.00 0.00 C ATOM 268 CD2 LEU A 87 8.549 -5.782 -3.041 1.00 0.00 C ATOM 0 H LEU A 87 11.637 -8.069 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 87 10.160 -5.975 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.484 -8.859 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.289 -7.711 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 87 10.104 -7.184 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.093 -7.713 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.602 -9.123 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.204 -8.151 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.468 -5.389 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.563 -5.796 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.216 -5.147 -2.458 1.00 0.00 H new ATOM 280 N ALA A 88 10.913 -8.532 0.921 1.00 0.00 N ATOM 281 CA ALA A 88 10.914 -8.999 2.302 1.00 0.00 C ATOM 282 C ALA A 88 11.535 -7.960 3.231 1.00 0.00 C ATOM 283 O ALA A 88 11.017 -7.710 4.317 1.00 0.00 O ATOM 284 CB ALA A 88 11.709 -10.303 2.402 1.00 0.00 C ATOM 0 H ALA A 88 11.434 -9.121 0.272 1.00 0.00 H new ATOM 0 HA ALA A 88 9.881 -9.166 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.709 -10.651 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.250 -11.059 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.735 -10.129 2.078 1.00 0.00 H new ATOM 290 N LEU A 89 12.639 -7.353 2.805 1.00 0.00 N ATOM 291 CA LEU A 89 13.302 -6.344 3.630 1.00 0.00 C ATOM 292 C LEU A 89 12.430 -5.094 3.768 1.00 0.00 C ATOM 293 O LEU A 89 12.248 -4.574 4.868 1.00 0.00 O ATOM 294 CB LEU A 89 14.660 -5.966 3.000 1.00 0.00 C ATOM 295 CG LEU A 89 15.771 -6.873 3.535 1.00 0.00 C ATOM 296 CD1 LEU A 89 15.471 -8.328 3.177 1.00 0.00 C ATOM 297 CD2 LEU A 89 17.102 -6.461 2.904 1.00 0.00 C ATOM 0 H LEU A 89 13.089 -7.537 1.908 1.00 0.00 H new ATOM 0 HA LEU A 89 13.464 -6.763 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.601 -6.054 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.894 -4.925 3.223 1.00 0.00 H new ATOM 0 HG LEU A 89 15.827 -6.775 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.265 -8.968 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.520 -8.623 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.413 -8.432 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 89 17.898 -7.103 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.037 -6.561 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 89 17.321 -5.424 3.160 1.00 0.00 H new ATOM 309 N LYS A 90 11.885 -4.622 2.653 1.00 0.00 N ATOM 310 CA LYS A 90 11.040 -3.434 2.683 1.00 0.00 C ATOM 311 C LYS A 90 9.749 -3.709 3.448 1.00 0.00 C ATOM 312 O LYS A 90 9.289 -2.873 4.224 1.00 0.00 O ATOM 313 CB LYS A 90 10.726 -2.972 1.245 1.00 0.00 C ATOM 314 CG LYS A 90 11.822 -2.021 0.739 1.00 0.00 C ATOM 315 CD LYS A 90 13.171 -2.740 0.718 1.00 0.00 C ATOM 316 CE LYS A 90 14.241 -1.803 0.158 1.00 0.00 C ATOM 317 NZ LYS A 90 15.553 -2.510 0.128 1.00 0.00 N ATOM 0 H LYS A 90 12.010 -5.036 1.729 1.00 0.00 H new ATOM 0 HA LYS A 90 11.578 -2.639 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.653 -3.837 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.759 -2.469 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.574 -1.667 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.879 -1.143 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.442 -3.057 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.105 -3.640 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.967 -1.479 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.313 -0.906 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.282 -1.873 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.814 -2.798 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.479 -3.353 -0.477 1.00 0.00 H new ATOM 331 N MET A 91 9.173 -4.881 3.225 1.00 0.00 N ATOM 332 CA MET A 91 7.935 -5.243 3.898 1.00 0.00 C ATOM 333 C MET A 91 8.153 -5.340 5.403 1.00 0.00 C ATOM 334 O MET A 91 7.326 -4.880 6.191 1.00 0.00 O ATOM 335 CB MET A 91 7.420 -6.581 3.356 1.00 0.00 C ATOM 336 CG MET A 91 6.055 -6.917 3.970 1.00 0.00 C ATOM 337 SD MET A 91 4.836 -5.671 3.470 1.00 0.00 S ATOM 338 CE MET A 91 4.731 -6.117 1.716 1.00 0.00 C ATOM 0 H MET A 91 9.538 -5.591 2.590 1.00 0.00 H new ATOM 0 HA MET A 91 7.193 -4.468 3.705 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.335 -6.533 2.270 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.134 -7.372 3.585 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.733 -7.906 3.645 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.132 -6.949 5.057 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.751 -5.839 1.328 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.505 -5.589 1.159 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.874 -7.192 1.605 1.00 0.00 H new ATOM 348 N SER A 92 9.268 -5.946 5.800 1.00 0.00 N ATOM 349 CA SER A 92 9.570 -6.100 7.216 1.00 0.00 C ATOM 350 C SER A 92 9.745 -4.740 7.880 1.00 0.00 C ATOM 351 O SER A 92 9.274 -4.524 8.997 1.00 0.00 O ATOM 352 CB SER A 92 10.844 -6.926 7.389 1.00 0.00 C ATOM 353 OG SER A 92 11.936 -6.233 6.798 1.00 0.00 O ATOM 0 H SER A 92 9.969 -6.334 5.168 1.00 0.00 H new ATOM 0 HA SER A 92 8.736 -6.615 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.038 -7.099 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.724 -7.904 6.923 1.00 0.00 H new ATOM 0 HG SER A 92 12.389 -5.694 7.480 1.00 0.00 H new ATOM 359 N GLU A 93 10.408 -3.816 7.187 1.00 0.00 N ATOM 360 CA GLU A 93 10.614 -2.479 7.733 1.00 0.00 C ATOM 361 C GLU A 93 9.284 -1.734 7.855 1.00 0.00 C ATOM 362 O GLU A 93 9.042 -1.046 8.845 1.00 0.00 O ATOM 363 CB GLU A 93 11.582 -1.688 6.833 1.00 0.00 C ATOM 364 CG GLU A 93 13.035 -2.035 7.180 1.00 0.00 C ATOM 365 CD GLU A 93 13.272 -3.537 7.077 1.00 0.00 C ATOM 366 OE1 GLU A 93 12.682 -4.263 7.858 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.054 -3.936 6.230 1.00 0.00 O ATOM 0 H GLU A 93 10.806 -3.966 6.260 1.00 0.00 H new ATOM 0 HA GLU A 93 11.047 -2.574 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.386 -1.918 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.416 -0.618 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.710 -1.509 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.264 -1.695 8.190 1.00 0.00 H new ATOM 374 N GLN A 94 8.420 -1.890 6.859 1.00 0.00 N ATOM 375 CA GLN A 94 7.123 -1.223 6.886 1.00 0.00 C ATOM 376 C GLN A 94 6.277 -1.748 8.037 1.00 0.00 C ATOM 377 O GLN A 94 5.562 -0.986 8.690 1.00 0.00 O ATOM 378 CB GLN A 94 6.393 -1.443 5.557 1.00 0.00 C ATOM 379 CG GLN A 94 7.071 -0.630 4.450 1.00 0.00 C ATOM 380 CD GLN A 94 6.870 0.862 4.699 1.00 0.00 C ATOM 381 OE1 GLN A 94 7.833 1.586 4.949 1.00 0.00 O ATOM 382 NE2 GLN A 94 5.668 1.365 4.646 1.00 0.00 N ATOM 0 H GLN A 94 8.590 -2.464 6.033 1.00 0.00 H new ATOM 0 HA GLN A 94 7.285 -0.155 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.400 -2.502 5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.349 -1.145 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.136 -0.861 4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.656 -0.904 3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.872 0.762 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.524 2.361 4.812 1.00 0.00 H new ATOM 391 N GLU A 95 6.369 -3.047 8.288 1.00 0.00 N ATOM 392 CA GLU A 95 5.615 -3.663 9.372 1.00 0.00 C ATOM 393 C GLU A 95 6.394 -3.574 10.681 1.00 0.00 C ATOM 394 O GLU A 95 5.862 -3.876 11.749 1.00 0.00 O ATOM 395 CB GLU A 95 5.331 -5.130 9.038 1.00 0.00 C ATOM 396 CG GLU A 95 4.489 -5.208 7.763 1.00 0.00 C ATOM 397 CD GLU A 95 3.104 -4.622 8.016 1.00 0.00 C ATOM 398 OE1 GLU A 95 2.724 -4.529 9.172 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.445 -4.274 7.051 1.00 0.00 O ATOM 0 H GLU A 95 6.955 -3.692 7.759 1.00 0.00 H new ATOM 0 HA GLU A 95 4.672 -3.129 9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.267 -5.671 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.804 -5.607 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.982 -4.663 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.401 -6.245 7.439 1.00 0.00 H new ATOM 406 N ALA A 96 7.656 -3.154 10.591 1.00 0.00 N ATOM 407 CA ALA A 96 8.495 -3.025 11.779 1.00 0.00 C ATOM 408 C ALA A 96 8.816 -4.400 12.363 1.00 0.00 C ATOM 409 O ALA A 96 9.104 -4.529 13.552 1.00 0.00 O ATOM 410 CB ALA A 96 7.788 -2.163 12.830 1.00 0.00 C ATOM 0 H ALA A 96 8.115 -2.900 9.716 1.00 0.00 H new ATOM 0 HA ALA A 96 9.429 -2.543 11.491 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.421 -2.073 13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.596 -1.172 12.418 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.843 -2.630 13.108 1.00 0.00 H new ATOM 416 N ARG A 97 8.755 -5.422 11.518 1.00 0.00 N ATOM 417 CA ARG A 97 9.032 -6.787 11.958 1.00 0.00 C ATOM 418 C ARG A 97 10.535 -7.039 12.025 1.00 0.00 C ATOM 419 O ARG A 97 11.201 -6.614 12.968 1.00 0.00 O ATOM 420 CB ARG A 97 8.388 -7.780 10.990 1.00 0.00 C ATOM 421 CG ARG A 97 6.864 -7.668 11.073 1.00 0.00 C ATOM 422 CD ARG A 97 6.247 -8.505 9.955 1.00 0.00 C ATOM 423 NE ARG A 97 6.522 -9.922 10.186 1.00 0.00 N ATOM 424 CZ ARG A 97 7.556 -10.537 9.613 1.00 0.00 C ATOM 425 NH1 ARG A 97 8.395 -9.863 8.874 1.00 0.00 N ATOM 426 NH2 ARG A 97 7.739 -11.812 9.808 1.00 0.00 N ATOM 0 H ARG A 97 8.518 -5.334 10.530 1.00 0.00 H new ATOM 0 HA ARG A 97 8.613 -6.921 12.955 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.722 -7.579 9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.701 -8.795 11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.512 -8.017 12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.556 -6.627 10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.171 -8.336 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.655 -8.199 8.992 1.00 0.00 H new ATOM 0 HE ARG A 97 5.907 -10.454 10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.260 -8.862 8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.185 -10.338 8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.092 -12.336 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.529 -12.286 9.371 1.00 0.00 H new ATOM 440 N GLU A 98 11.065 -7.732 11.018 1.00 0.00 N ATOM 441 CA GLU A 98 12.494 -8.030 10.982 1.00 0.00 C ATOM 442 C GLU A 98 13.276 -6.823 10.485 1.00 0.00 C ATOM 443 O GLU A 98 13.550 -6.695 9.291 1.00 0.00 O ATOM 444 CB GLU A 98 12.762 -9.221 10.059 1.00 0.00 C ATOM 445 CG GLU A 98 12.175 -10.490 10.674 1.00 0.00 C ATOM 446 CD GLU A 98 12.425 -11.676 9.749 1.00 0.00 C ATOM 447 OE1 GLU A 98 12.888 -11.450 8.643 1.00 0.00 O ATOM 448 OE2 GLU A 98 12.151 -12.791 10.160 1.00 0.00 O ATOM 0 H GLU A 98 10.533 -8.093 10.226 1.00 0.00 H new ATOM 0 HA GLU A 98 12.818 -8.275 11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.319 -9.041 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.835 -9.341 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.627 -10.676 11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.105 -10.364 10.838 1.00 0.00 H new ATOM 455 N VAL A 99 13.627 -5.935 11.409 1.00 0.00 N ATOM 456 CA VAL A 99 14.377 -4.731 11.061 1.00 0.00 C ATOM 457 C VAL A 99 15.875 -4.994 11.130 1.00 0.00 C ATOM 458 O VAL A 99 16.340 -5.769 11.964 1.00 0.00 O ATOM 459 CB VAL A 99 14.036 -3.596 12.038 1.00 0.00 C ATOM 460 CG1 VAL A 99 14.200 -2.242 11.344 1.00 0.00 C ATOM 461 CG2 VAL A 99 12.590 -3.747 12.514 1.00 0.00 C ATOM 0 H VAL A 99 13.406 -6.024 12.401 1.00 0.00 H new ATOM 0 HA VAL A 99 14.103 -4.446 10.045 1.00 0.00 H new ATOM 0 HB VAL A 99 14.712 -3.648 12.892 1.00 0.00 H new ATOM 0 HG11 VAL A 99 13.956 -1.443 12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.230 -2.128 11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.530 -2.190 10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.349 -2.941 13.207 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.918 -3.701 11.657 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.471 -4.706 13.018 1.00 0.00 H new ATOM 471 N ASN A 100 16.626 -4.319 10.276 1.00 0.00 N ATOM 472 CA ASN A 100 18.067 -4.467 10.286 1.00 0.00 C ATOM 473 C ASN A 100 18.648 -3.687 11.460 1.00 0.00 C ATOM 474 O ASN A 100 18.190 -2.594 11.785 1.00 0.00 O ATOM 475 CB ASN A 100 18.669 -3.957 8.975 1.00 0.00 C ATOM 476 CG ASN A 100 18.115 -4.760 7.804 1.00 0.00 C ATOM 477 OD1 ASN A 100 18.043 -5.986 7.871 1.00 0.00 O ATOM 478 ND2 ASN A 100 17.714 -4.137 6.733 1.00 0.00 N ATOM 0 H ASN A 100 16.265 -3.671 9.576 1.00 0.00 H new ATOM 0 HA ASN A 100 18.313 -5.524 10.390 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.437 -2.900 8.845 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.755 -4.043 9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.339 -4.666 5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.775 -3.120 6.681 1.00 0.00 H new ATOM 485 N SER A 101 19.654 -4.263 12.086 1.00 0.00 N ATOM 486 CA SER A 101 20.307 -3.637 13.234 1.00 0.00 C ATOM 487 C SER A 101 20.715 -2.209 12.894 1.00 0.00 C ATOM 488 O SER A 101 20.600 -1.308 13.724 1.00 0.00 O ATOM 489 CB SER A 101 21.552 -4.437 13.623 1.00 0.00 C ATOM 490 OG SER A 101 22.169 -3.834 14.753 1.00 0.00 O ATOM 0 H SER A 101 20.044 -5.168 11.823 1.00 0.00 H new ATOM 0 HA SER A 101 19.605 -3.622 14.068 1.00 0.00 H new ATOM 0 HB2 SER A 101 21.279 -5.467 13.851 1.00 0.00 H new ATOM 0 HB3 SER A 101 22.252 -4.470 12.788 1.00 0.00 H new ATOM 0 HG SER A 101 22.966 -4.347 15.003 1.00 0.00 H new ATOM 496 N GLN A 102 21.187 -1.996 11.676 1.00 0.00 N ATOM 497 CA GLN A 102 21.585 -0.657 11.265 1.00 0.00 C ATOM 498 C GLN A 102 20.345 0.233 11.109 1.00 0.00 C ATOM 499 O GLN A 102 20.337 1.377 11.544 1.00 0.00 O ATOM 500 CB GLN A 102 22.356 -0.735 9.943 1.00 0.00 C ATOM 501 CG GLN A 102 21.393 -1.082 8.805 1.00 0.00 C ATOM 502 CD GLN A 102 22.171 -1.522 7.569 1.00 0.00 C ATOM 503 OE1 GLN A 102 23.381 -1.735 7.639 1.00 0.00 O ATOM 504 NE2 GLN A 102 21.542 -1.674 6.436 1.00 0.00 N ATOM 0 H GLN A 102 21.303 -2.718 10.965 1.00 0.00 H new ATOM 0 HA GLN A 102 22.231 -0.221 12.027 1.00 0.00 H new ATOM 0 HB2 GLN A 102 22.846 0.217 9.740 1.00 0.00 H new ATOM 0 HB3 GLN A 102 23.140 -1.489 10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 102 20.718 -1.878 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 102 20.775 -0.216 8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.539 -1.497 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 102 22.053 -1.970 5.605 1.00 0.00 H new ATOM 513 N GLU A 103 19.294 -0.324 10.508 1.00 0.00 N ATOM 514 CA GLU A 103 18.030 0.400 10.305 1.00 0.00 C ATOM 515 C GLU A 103 17.348 0.725 11.630 1.00 0.00 C ATOM 516 O GLU A 103 16.551 1.660 11.720 1.00 0.00 O ATOM 517 CB GLU A 103 17.079 -0.409 9.426 1.00 0.00 C ATOM 518 CG GLU A 103 17.611 -0.469 7.993 1.00 0.00 C ATOM 519 CD GLU A 103 17.502 0.902 7.337 1.00 0.00 C ATOM 520 OE1 GLU A 103 16.813 1.746 7.885 1.00 0.00 O ATOM 521 OE2 GLU A 103 18.110 1.089 6.296 1.00 0.00 O ATOM 0 H GLU A 103 19.289 -1.279 10.150 1.00 0.00 H new ATOM 0 HA GLU A 103 18.274 1.338 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.972 -1.418 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 103 16.088 0.045 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 103 18.650 -0.798 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 103 17.046 -1.202 7.417 1.00 0.00 H new ATOM 528 N GLU A 104 17.635 -0.069 12.648 1.00 0.00 N ATOM 529 CA GLU A 104 17.018 0.130 13.954 1.00 0.00 C ATOM 530 C GLU A 104 17.342 1.520 14.487 1.00 0.00 C ATOM 531 O GLU A 104 16.556 2.096 15.234 1.00 0.00 O ATOM 532 CB GLU A 104 17.519 -0.929 14.948 1.00 0.00 C ATOM 533 CG GLU A 104 16.821 -2.266 14.681 1.00 0.00 C ATOM 534 CD GLU A 104 15.406 -2.239 15.248 1.00 0.00 C ATOM 535 OE1 GLU A 104 15.257 -2.499 16.431 1.00 0.00 O ATOM 536 OE2 GLU A 104 14.493 -1.950 14.495 1.00 0.00 O ATOM 0 H GLU A 104 18.286 -0.853 12.599 1.00 0.00 H new ATOM 0 HA GLU A 104 15.938 0.033 13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.598 -1.047 14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.322 -0.604 15.969 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.788 -2.461 13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.388 -3.079 15.135 1.00 0.00 H new ATOM 543 N GLU A 105 18.498 2.060 14.110 1.00 0.00 N ATOM 544 CA GLU A 105 18.869 3.384 14.589 1.00 0.00 C ATOM 545 C GLU A 105 17.833 4.417 14.134 1.00 0.00 C ATOM 546 O GLU A 105 17.399 5.255 14.921 1.00 0.00 O ATOM 547 CB GLU A 105 20.261 3.761 14.051 1.00 0.00 C ATOM 548 CG GLU A 105 20.193 4.053 12.536 1.00 0.00 C ATOM 549 CD GLU A 105 19.761 5.496 12.281 1.00 0.00 C ATOM 550 OE1 GLU A 105 19.589 6.224 13.243 1.00 0.00 O ATOM 551 OE2 GLU A 105 19.612 5.853 11.122 1.00 0.00 O ATOM 0 H GLU A 105 19.176 1.615 13.492 1.00 0.00 H new ATOM 0 HA GLU A 105 18.899 3.373 15.679 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.637 4.637 14.580 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.963 2.949 14.240 1.00 0.00 H new ATOM 0 HG2 GLU A 105 21.168 3.875 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.490 3.369 12.060 1.00 0.00 H new ATOM 558 N GLU A 106 17.429 4.329 12.870 1.00 0.00 N ATOM 559 CA GLU A 106 16.427 5.234 12.318 1.00 0.00 C ATOM 560 C GLU A 106 15.043 4.913 12.878 1.00 0.00 C ATOM 561 O GLU A 106 14.207 5.798 13.056 1.00 0.00 O ATOM 562 CB GLU A 106 16.405 5.133 10.794 1.00 0.00 C ATOM 563 CG GLU A 106 15.439 6.177 10.228 1.00 0.00 C ATOM 564 CD GLU A 106 15.461 6.139 8.706 1.00 0.00 C ATOM 565 OE1 GLU A 106 16.192 5.326 8.164 1.00 0.00 O ATOM 566 OE2 GLU A 106 14.750 6.926 8.102 1.00 0.00 O ATOM 0 H GLU A 106 17.782 3.638 12.208 1.00 0.00 H new ATOM 0 HA GLU A 106 16.692 6.252 12.605 1.00 0.00 H new ATOM 0 HB2 GLU A 106 17.406 5.293 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 106 16.096 4.133 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.429 5.983 10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.718 7.170 10.579 1.00 0.00 H new ATOM 573 N GLU A 107 14.803 3.628 13.115 1.00 0.00 N ATOM 574 CA GLU A 107 13.509 3.172 13.610 1.00 0.00 C ATOM 575 C GLU A 107 13.183 3.837 14.944 1.00 0.00 C ATOM 576 O GLU A 107 12.028 4.153 15.217 1.00 0.00 O ATOM 577 CB GLU A 107 13.524 1.651 13.787 1.00 0.00 C ATOM 578 CG GLU A 107 12.095 1.142 13.991 1.00 0.00 C ATOM 579 CD GLU A 107 11.327 1.218 12.676 1.00 0.00 C ATOM 580 OE1 GLU A 107 11.963 1.384 11.647 1.00 0.00 O ATOM 581 OE2 GLU A 107 10.112 1.108 12.714 1.00 0.00 O ATOM 0 H GLU A 107 15.487 2.884 12.973 1.00 0.00 H new ATOM 0 HA GLU A 107 12.745 3.446 12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.968 1.178 12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 107 14.142 1.381 14.643 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.114 0.114 14.353 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.592 1.739 14.752 1.00 0.00 H new ATOM 588 N GLU A 108 14.199 4.042 15.775 1.00 0.00 N ATOM 589 CA GLU A 108 13.986 4.664 17.079 1.00 0.00 C ATOM 590 C GLU A 108 13.424 6.077 16.917 1.00 0.00 C ATOM 591 O GLU A 108 12.516 6.486 17.649 1.00 0.00 O ATOM 592 CB GLU A 108 15.312 4.731 17.844 1.00 0.00 C ATOM 593 CG GLU A 108 15.741 3.323 18.261 1.00 0.00 C ATOM 594 CD GLU A 108 17.116 3.372 18.922 1.00 0.00 C ATOM 595 OE1 GLU A 108 17.747 4.415 18.855 1.00 0.00 O ATOM 596 OE2 GLU A 108 17.516 2.367 19.486 1.00 0.00 O ATOM 0 H GLU A 108 15.167 3.791 15.574 1.00 0.00 H new ATOM 0 HA GLU A 108 13.269 4.061 17.636 1.00 0.00 H new ATOM 0 HB2 GLU A 108 16.081 5.185 17.219 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.203 5.364 18.725 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.011 2.901 18.952 1.00 0.00 H new ATOM 0 HG3 GLU A 108 15.770 2.669 17.389 1.00 0.00 H new ATOM 603 N LEU A 109 13.952 6.817 15.947 1.00 0.00 N ATOM 604 CA LEU A 109 13.477 8.174 15.696 1.00 0.00 C ATOM 605 C LEU A 109 12.012 8.150 15.262 1.00 0.00 C ATOM 606 O LEU A 109 11.219 9.000 15.668 1.00 0.00 O ATOM 607 CB LEU A 109 14.336 8.839 14.611 1.00 0.00 C ATOM 608 CG LEU A 109 15.647 9.340 15.223 1.00 0.00 C ATOM 609 CD1 LEU A 109 16.376 8.180 15.900 1.00 0.00 C ATOM 610 CD2 LEU A 109 16.532 9.927 14.121 1.00 0.00 C ATOM 0 H LEU A 109 14.700 6.505 15.328 1.00 0.00 H new ATOM 0 HA LEU A 109 13.560 8.751 16.617 1.00 0.00 H new ATOM 0 HB2 LEU A 109 14.545 8.127 13.813 1.00 0.00 H new ATOM 0 HB3 LEU A 109 13.792 9.670 14.162 1.00 0.00 H new ATOM 0 HG LEU A 109 15.429 10.109 15.964 1.00 0.00 H new ATOM 0 HD11 LEU A 109 17.309 8.540 16.334 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.746 7.764 16.686 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.594 7.407 15.163 1.00 0.00 H new ATOM 0 HD21 LEU A 109 17.466 10.284 14.556 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.748 9.158 13.379 1.00 0.00 H new ATOM 0 HD23 LEU A 109 16.014 10.758 13.642 1.00 0.00 H new ATOM 622 N LEU A 110 11.660 7.165 14.440 1.00 0.00 N ATOM 623 CA LEU A 110 10.288 7.033 13.960 1.00 0.00 C ATOM 624 C LEU A 110 9.323 6.792 15.115 1.00 0.00 C ATOM 625 O LEU A 110 8.237 7.369 15.150 1.00 0.00 O ATOM 626 CB LEU A 110 10.204 5.870 12.959 1.00 0.00 C ATOM 627 CG LEU A 110 10.785 6.293 11.590 1.00 0.00 C ATOM 628 CD1 LEU A 110 11.242 5.045 10.806 1.00 0.00 C ATOM 629 CD2 LEU A 110 9.704 7.022 10.769 1.00 0.00 C ATOM 0 H LEU A 110 12.301 6.451 14.094 1.00 0.00 H new ATOM 0 HA LEU A 110 10.003 7.963 13.469 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.753 5.010 13.344 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.166 5.559 12.840 1.00 0.00 H new ATOM 0 HG LEU A 110 11.634 6.955 11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.650 5.350 9.842 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.009 4.519 11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.390 4.384 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.117 7.318 9.805 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.856 6.356 10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.373 7.909 11.310 1.00 0.00 H new ATOM 641 N ARG A 111 9.719 5.953 16.064 1.00 0.00 N ATOM 642 CA ARG A 111 8.854 5.667 17.205 1.00 0.00 C ATOM 643 C ARG A 111 8.558 6.950 17.970 1.00 0.00 C ATOM 644 O ARG A 111 7.419 7.192 18.367 1.00 0.00 O ATOM 645 CB ARG A 111 9.525 4.637 18.144 1.00 0.00 C ATOM 646 CG ARG A 111 9.135 3.201 17.761 1.00 0.00 C ATOM 647 CD ARG A 111 9.891 2.777 16.506 1.00 0.00 C ATOM 648 NE ARG A 111 9.464 1.445 16.091 1.00 0.00 N ATOM 649 CZ ARG A 111 9.973 0.356 16.657 1.00 0.00 C ATOM 650 NH1 ARG A 111 10.880 0.469 17.586 1.00 0.00 N ATOM 651 NH2 ARG A 111 9.565 -0.826 16.281 1.00 0.00 N ATOM 0 H ARG A 111 10.615 5.466 16.070 1.00 0.00 H new ATOM 0 HA ARG A 111 7.918 5.248 16.836 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.608 4.748 18.095 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.230 4.834 19.175 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.364 2.521 18.582 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.061 3.140 17.587 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.710 3.492 15.704 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.964 2.780 16.699 1.00 0.00 H new ATOM 0 HE ARG A 111 8.764 1.348 15.355 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.199 1.393 17.878 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.271 -0.366 18.021 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.856 -0.913 15.553 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.955 -1.662 16.715 1.00 0.00 H new ATOM 665 N LYS A 112 9.580 7.770 18.177 1.00 0.00 N ATOM 666 CA LYS A 112 9.386 9.015 18.907 1.00 0.00 C ATOM 667 C LYS A 112 8.429 9.934 18.154 1.00 0.00 C ATOM 668 O LYS A 112 7.568 10.575 18.757 1.00 0.00 O ATOM 669 CB LYS A 112 10.726 9.722 19.099 1.00 0.00 C ATOM 670 CG LYS A 112 11.590 8.905 20.057 1.00 0.00 C ATOM 671 CD LYS A 112 12.922 9.621 20.277 1.00 0.00 C ATOM 672 CE LYS A 112 13.817 8.763 21.171 1.00 0.00 C ATOM 673 NZ LYS A 112 13.156 8.559 22.490 1.00 0.00 N ATOM 0 H LYS A 112 10.534 7.601 17.857 1.00 0.00 H new ATOM 0 HA LYS A 112 8.957 8.779 19.881 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.232 9.835 18.140 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.568 10.725 19.497 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.074 8.774 21.008 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.763 7.909 19.649 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.412 9.803 19.321 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.753 10.594 20.739 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.008 7.801 20.696 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.783 9.248 21.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.865 8.268 23.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.710 9.447 22.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.430 7.819 22.404 1.00 0.00 H new ATOM 687 N ALA A 113 8.584 9.994 16.831 1.00 0.00 N ATOM 688 CA ALA A 113 7.725 10.842 16.006 1.00 0.00 C ATOM 689 C ALA A 113 6.265 10.400 16.091 1.00 0.00 C ATOM 690 O ALA A 113 5.361 11.227 16.209 1.00 0.00 O ATOM 691 CB ALA A 113 8.190 10.780 14.550 1.00 0.00 C ATOM 0 H ALA A 113 9.289 9.471 16.312 1.00 0.00 H new ATOM 0 HA ALA A 113 7.797 11.864 16.379 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.549 11.413 13.936 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.219 11.132 14.482 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.134 9.752 14.193 1.00 0.00 H new ATOM 697 N ILE A 114 6.044 9.093 16.040 1.00 0.00 N ATOM 698 CA ILE A 114 4.691 8.547 16.118 1.00 0.00 C ATOM 699 C ILE A 114 4.125 8.725 17.526 1.00 0.00 C ATOM 700 O ILE A 114 2.945 9.029 17.691 1.00 0.00 O ATOM 701 CB ILE A 114 4.688 7.051 15.701 1.00 0.00 C ATOM 702 CG1 ILE A 114 4.622 6.909 14.163 1.00 0.00 C ATOM 703 CG2 ILE A 114 3.482 6.323 16.319 1.00 0.00 C ATOM 704 CD1 ILE A 114 5.980 7.209 13.526 1.00 0.00 C ATOM 0 H ILE A 114 6.779 8.392 15.945 1.00 0.00 H new ATOM 0 HA ILE A 114 4.051 9.094 15.425 1.00 0.00 H new ATOM 0 HB ILE A 114 5.613 6.604 16.065 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.309 5.899 13.901 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.870 7.590 13.763 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.495 5.276 16.017 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.536 6.388 17.406 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.559 6.789 15.973 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.906 7.102 12.444 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.279 8.228 13.770 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.724 6.511 13.910 1.00 0.00 H new ATOM 716 N ALA A 115 4.962 8.522 18.533 1.00 0.00 N ATOM 717 CA ALA A 115 4.507 8.649 19.910 1.00 0.00 C ATOM 718 C ALA A 115 3.998 10.064 20.170 1.00 0.00 C ATOM 719 O ALA A 115 2.957 10.257 20.800 1.00 0.00 O ATOM 720 CB ALA A 115 5.663 8.332 20.864 1.00 0.00 C ATOM 0 H ALA A 115 5.945 8.272 18.426 1.00 0.00 H new ATOM 0 HA ALA A 115 3.692 7.946 20.080 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.321 8.428 21.895 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.010 7.313 20.690 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.482 9.029 20.688 1.00 0.00 H new ATOM 726 N GLU A 116 4.724 11.052 19.663 1.00 0.00 N ATOM 727 CA GLU A 116 4.320 12.439 19.835 1.00 0.00 C ATOM 728 C GLU A 116 3.020 12.715 19.087 1.00 0.00 C ATOM 729 O GLU A 116 2.143 13.425 19.581 1.00 0.00 O ATOM 730 CB GLU A 116 5.421 13.366 19.323 1.00 0.00 C ATOM 731 CG GLU A 116 6.613 13.305 20.278 1.00 0.00 C ATOM 732 CD GLU A 116 7.805 14.037 19.673 1.00 0.00 C ATOM 733 OE1 GLU A 116 7.793 14.255 18.473 1.00 0.00 O ATOM 734 OE2 GLU A 116 8.710 14.373 20.419 1.00 0.00 O ATOM 0 H GLU A 116 5.587 10.920 19.135 1.00 0.00 H new ATOM 0 HA GLU A 116 4.156 12.625 20.896 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.727 13.068 18.320 1.00 0.00 H new ATOM 0 HB3 GLU A 116 5.049 14.388 19.252 1.00 0.00 H new ATOM 0 HG2 GLU A 116 6.347 13.755 21.234 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.877 12.266 20.477 1.00 0.00 H new ATOM 741 N SER A 117 2.898 12.151 17.888 1.00 0.00 N ATOM 742 CA SER A 117 1.698 12.349 17.081 1.00 0.00 C ATOM 743 C SER A 117 0.472 11.758 17.770 1.00 0.00 C ATOM 744 O SER A 117 -0.614 12.335 17.728 1.00 0.00 O ATOM 745 CB SER A 117 1.875 11.693 15.712 1.00 0.00 C ATOM 746 OG SER A 117 2.032 10.290 15.879 1.00 0.00 O ATOM 0 H SER A 117 3.608 11.559 17.457 1.00 0.00 H new ATOM 0 HA SER A 117 1.547 13.421 16.958 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.010 11.901 15.082 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.746 12.110 15.206 1.00 0.00 H new ATOM 0 HG SER A 117 2.490 10.111 16.726 1.00 0.00 H new ATOM 752 N LEU A 118 0.654 10.607 18.408 1.00 0.00 N ATOM 753 CA LEU A 118 -0.445 9.949 19.105 1.00 0.00 C ATOM 754 C LEU A 118 -0.929 10.798 20.273 1.00 0.00 C ATOM 755 O LEU A 118 -2.129 10.864 20.546 1.00 0.00 O ATOM 756 CB LEU A 118 0.013 8.580 19.617 1.00 0.00 C ATOM 757 CG LEU A 118 0.211 7.614 18.438 1.00 0.00 C ATOM 758 CD1 LEU A 118 0.953 6.369 18.934 1.00 0.00 C ATOM 759 CD2 LEU A 118 -1.154 7.195 17.844 1.00 0.00 C ATOM 0 H LEU A 118 1.545 10.113 18.457 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.270 9.820 18.405 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.945 8.684 20.172 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.726 8.176 20.308 1.00 0.00 H new ATOM 0 HG LEU A 118 0.790 8.114 17.662 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.098 5.677 18.104 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.923 6.660 19.338 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.367 5.882 19.714 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -0.994 6.511 17.010 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.748 6.699 18.612 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -1.684 8.080 17.491 1.00 0.00 H new ATOM 771 N ASN A 119 0.003 11.448 20.963 1.00 0.00 N ATOM 772 CA ASN A 119 -0.357 12.290 22.100 1.00 0.00 C ATOM 773 C ASN A 119 -0.865 13.649 21.622 1.00 0.00 C ATOM 774 O ASN A 119 -1.517 14.379 22.370 1.00 0.00 O ATOM 775 CB ASN A 119 0.863 12.488 23.000 1.00 0.00 C ATOM 776 CG ASN A 119 1.206 11.180 23.704 1.00 0.00 C ATOM 777 OD1 ASN A 119 0.356 10.298 23.826 1.00 0.00 O ATOM 778 ND2 ASN A 119 2.410 10.999 24.173 1.00 0.00 N ATOM 0 H ASN A 119 1.002 11.410 20.759 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.151 11.797 22.661 1.00 0.00 H new ATOM 0 HB2 ASN A 119 1.713 12.825 22.406 1.00 0.00 H new ATOM 0 HB3 ASN A 119 0.660 13.265 23.737 1.00 0.00 H new ATOM 0 HD21 ASN A 119 2.649 10.125 24.642 1.00 0.00 H new ATOM 0 HD22 ASN A 119 3.113 11.731 24.071 1.00 0.00 H new ATOM 785 N SER A 120 -0.565 13.977 20.370 1.00 0.00 N ATOM 786 CA SER A 120 -0.995 15.246 19.786 1.00 0.00 C ATOM 787 C SER A 120 -2.394 15.112 19.188 1.00 0.00 C ATOM 788 O SER A 120 -2.803 14.023 18.789 1.00 0.00 O ATOM 789 CB SER A 120 -0.008 15.688 18.705 1.00 0.00 C ATOM 790 OG SER A 120 -0.460 16.905 18.125 1.00 0.00 O ATOM 0 H SER A 120 -0.026 13.384 19.739 1.00 0.00 H new ATOM 0 HA SER A 120 -1.022 15.998 20.574 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.984 15.824 19.136 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.080 14.917 17.939 1.00 0.00 H new ATOM 0 HG SER A 120 0.172 17.192 17.433 1.00 0.00 H new ATOM 796 N CYS A 121 -3.117 16.225 19.122 1.00 0.00 N ATOM 797 CA CYS A 121 -4.465 16.218 18.562 1.00 0.00 C ATOM 798 C CYS A 121 -4.395 16.086 17.047 1.00 0.00 C ATOM 799 O CYS A 121 -3.519 16.667 16.410 1.00 0.00 O ATOM 800 CB CYS A 121 -5.193 17.513 18.929 1.00 0.00 C ATOM 801 SG CYS A 121 -6.850 17.498 18.201 1.00 0.00 S ATOM 0 H CYS A 121 -2.796 17.137 19.446 1.00 0.00 H new ATOM 0 HA CYS A 121 -5.012 15.370 18.974 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -5.261 17.611 20.013 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -4.632 18.374 18.566 1.00 0.00 H new ATOM 0 HG CYS A 121 -6.757 17.344 16.914 1.00 0.00 H new ATOM 807 N ARG A 122 -5.305 15.303 16.473 1.00 0.00 N ATOM 808 CA ARG A 122 -5.300 15.099 15.033 1.00 0.00 C ATOM 809 C ARG A 122 -5.609 16.412 14.286 1.00 0.00 C ATOM 810 O ARG A 122 -6.611 17.061 14.585 1.00 0.00 O ATOM 811 CB ARG A 122 -6.341 14.036 14.661 1.00 0.00 C ATOM 812 CG ARG A 122 -5.896 12.678 15.214 1.00 0.00 C ATOM 813 CD ARG A 122 -6.794 11.574 14.653 1.00 0.00 C ATOM 814 NE ARG A 122 -8.148 11.716 15.173 1.00 0.00 N ATOM 815 CZ ARG A 122 -8.500 11.175 16.336 1.00 0.00 C ATOM 816 NH1 ARG A 122 -7.625 10.503 17.034 1.00 0.00 N ATOM 817 NH2 ARG A 122 -9.718 11.317 16.778 1.00 0.00 N ATOM 0 H ARG A 122 -6.042 14.808 16.975 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.306 14.763 14.737 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -7.315 14.306 15.068 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -6.452 13.982 13.578 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.857 12.487 14.944 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -5.947 12.683 16.303 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -6.807 11.624 13.564 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -6.393 10.597 14.923 1.00 0.00 H new ATOM 0 HE ARG A 122 -8.838 12.240 14.635 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -6.672 10.393 16.687 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -7.894 10.088 17.926 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -10.401 11.843 16.232 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -9.989 10.902 17.670 1.00 0.00 H new ATOM 831 N PRO A 123 -4.805 16.815 13.312 1.00 0.00 N ATOM 832 CA PRO A 123 -5.066 18.073 12.532 1.00 0.00 C ATOM 833 C PRO A 123 -6.459 18.089 11.896 1.00 0.00 C ATOM 834 O PRO A 123 -6.980 17.050 11.495 1.00 0.00 O ATOM 835 CB PRO A 123 -3.988 18.058 11.434 1.00 0.00 C ATOM 836 CG PRO A 123 -2.885 17.213 11.975 1.00 0.00 C ATOM 837 CD PRO A 123 -3.555 16.161 12.856 1.00 0.00 C ATOM 0 HA PRO A 123 -5.029 18.953 13.174 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.380 17.645 10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.638 19.066 11.213 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.321 16.745 11.169 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.180 17.813 12.551 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.763 15.248 12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.921 15.883 13.698 1.00 0.00 H new ATOM 845 N SER A 124 -7.044 19.281 11.794 1.00 0.00 N ATOM 846 CA SER A 124 -8.364 19.425 11.189 1.00 0.00 C ATOM 847 C SER A 124 -8.309 19.051 9.709 1.00 0.00 C ATOM 848 O SER A 124 -7.359 19.402 9.007 1.00 0.00 O ATOM 849 CB SER A 124 -8.849 20.867 11.330 1.00 0.00 C ATOM 850 OG SER A 124 -10.096 21.010 10.662 1.00 0.00 O ATOM 0 H SER A 124 -6.628 20.153 12.120 1.00 0.00 H new ATOM 0 HA SER A 124 -9.057 18.758 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 124 -8.956 21.126 12.383 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.115 21.553 10.906 1.00 0.00 H new ATOM 0 HG SER A 124 -10.411 21.934 10.752 1.00 0.00 H new ATOM 856 N ASP A 125 -9.330 18.340 9.239 1.00 0.00 N ATOM 857 CA ASP A 125 -9.379 17.928 7.837 1.00 0.00 C ATOM 858 C ASP A 125 -9.890 19.066 6.957 1.00 0.00 C ATOM 859 O ASP A 125 -10.709 19.879 7.384 1.00 0.00 O ATOM 860 CB ASP A 125 -10.298 16.716 7.687 1.00 0.00 C ATOM 861 CG ASP A 125 -11.632 16.984 8.376 1.00 0.00 C ATOM 862 OD1 ASP A 125 -11.609 17.473 9.494 1.00 0.00 O ATOM 863 OD2 ASP A 125 -12.654 16.699 7.777 1.00 0.00 O ATOM 0 H ASP A 125 -10.127 18.039 9.800 1.00 0.00 H new ATOM 0 HA ASP A 125 -8.370 17.666 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -10.461 16.502 6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.825 15.835 8.121 1.00 0.00 H new ATOM 868 N ALA A 126 -9.408 19.109 5.719 1.00 0.00 N ATOM 869 CA ALA A 126 -9.825 20.144 4.780 1.00 0.00 C ATOM 870 C ALA A 126 -11.271 19.926 4.348 1.00 0.00 C ATOM 871 O ALA A 126 -11.928 20.847 3.861 1.00 0.00 O ATOM 872 CB ALA A 126 -8.917 20.136 3.550 1.00 0.00 C ATOM 0 H ALA A 126 -8.732 18.443 5.344 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.748 21.110 5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.238 20.913 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.888 20.325 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.977 19.164 3.060 1.00 0.00 H new ATOM 878 N SER A 127 -11.759 18.703 4.523 1.00 0.00 N ATOM 879 CA SER A 127 -13.126 18.378 4.136 1.00 0.00 C ATOM 880 C SER A 127 -14.120 18.938 5.147 1.00 0.00 C ATOM 881 O SER A 127 -15.315 19.025 4.868 1.00 0.00 O ATOM 882 CB SER A 127 -13.291 16.860 4.042 1.00 0.00 C ATOM 883 OG SER A 127 -13.158 16.291 5.338 1.00 0.00 O ATOM 0 H SER A 127 -11.234 17.927 4.926 1.00 0.00 H new ATOM 0 HA SER A 127 -13.326 18.829 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 127 -14.267 16.614 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.541 16.442 3.370 1.00 0.00 H new ATOM 0 HG SER A 127 -12.669 16.911 5.919 1.00 0.00 H new ATOM 889 N ALA A 128 -13.617 19.322 6.316 1.00 0.00 N ATOM 890 CA ALA A 128 -14.466 19.884 7.363 1.00 0.00 C ATOM 891 C ALA A 128 -15.249 18.781 8.068 1.00 0.00 C ATOM 892 O ALA A 128 -16.121 19.054 8.893 1.00 0.00 O ATOM 893 CB ALA A 128 -15.431 20.921 6.762 1.00 0.00 C ATOM 0 H ALA A 128 -12.630 19.255 6.563 1.00 0.00 H new ATOM 0 HA ALA A 128 -13.830 20.378 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.059 21.334 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -14.859 21.724 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -16.059 20.441 6.012 1.00 0.00 H new ATOM 899 N THR A 129 -14.931 17.532 7.738 1.00 0.00 N ATOM 900 CA THR A 129 -15.614 16.396 8.342 1.00 0.00 C ATOM 901 C THR A 129 -15.064 16.123 9.738 1.00 0.00 C ATOM 902 O THR A 129 -13.929 16.480 10.049 1.00 0.00 O ATOM 903 CB THR A 129 -15.437 15.153 7.467 1.00 0.00 C ATOM 904 OG1 THR A 129 -14.059 14.818 7.391 1.00 0.00 O ATOM 905 CG2 THR A 129 -15.973 15.438 6.063 1.00 0.00 C ATOM 0 H THR A 129 -14.210 17.284 7.061 1.00 0.00 H new ATOM 0 HA THR A 129 -16.675 16.633 8.422 1.00 0.00 H new ATOM 0 HB THR A 129 -15.988 14.320 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 129 -13.566 15.553 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 129 -15.847 14.553 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 129 -17.031 15.693 6.122 1.00 0.00 H new ATOM 0 HG23 THR A 129 -15.423 16.271 5.626 1.00 0.00 H new ATOM 913 N ARG A 130 -15.877 15.485 10.572 1.00 0.00 N ATOM 914 CA ARG A 130 -15.463 15.163 11.931 1.00 0.00 C ATOM 915 C ARG A 130 -14.503 13.976 11.929 1.00 0.00 C ATOM 916 O ARG A 130 -14.619 13.074 11.099 1.00 0.00 O ATOM 917 CB ARG A 130 -16.700 14.841 12.795 1.00 0.00 C ATOM 918 CG ARG A 130 -17.761 14.095 11.949 1.00 0.00 C ATOM 919 CD ARG A 130 -18.754 15.096 11.345 1.00 0.00 C ATOM 920 NE ARG A 130 -19.505 14.476 10.260 1.00 0.00 N ATOM 921 CZ ARG A 130 -20.397 15.169 9.561 1.00 0.00 C ATOM 922 NH1 ARG A 130 -20.605 16.428 9.837 1.00 0.00 N ATOM 923 NH2 ARG A 130 -21.063 14.595 8.596 1.00 0.00 N ATOM 0 H ARG A 130 -16.821 15.182 10.332 1.00 0.00 H new ATOM 0 HA ARG A 130 -14.948 16.026 12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -16.408 14.229 13.648 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -17.124 15.762 13.194 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -17.273 13.531 11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -18.292 13.375 12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -19.440 15.448 12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -18.219 15.969 10.972 1.00 0.00 H new ATOM 0 HE ARG A 130 -19.343 13.495 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -20.083 16.878 10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -21.290 16.961 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -20.899 13.612 8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -21.747 15.129 8.061 1.00 0.00 H new ATOM 937 N SER A 131 -13.561 13.981 12.866 1.00 0.00 N ATOM 938 CA SER A 131 -12.593 12.896 12.964 1.00 0.00 C ATOM 939 C SER A 131 -11.940 12.632 11.611 1.00 0.00 C ATOM 940 O SER A 131 -11.516 11.510 11.387 1.00 0.00 O ATOM 941 CB SER A 131 -13.287 11.626 13.455 1.00 0.00 C ATOM 942 OG SER A 131 -14.055 11.074 12.393 1.00 0.00 O ATOM 943 OXT SER A 131 -11.876 13.556 10.816 1.00 0.00 O ATOM 0 H SER A 131 -13.448 14.718 13.563 1.00 0.00 H new ATOM 0 HA SER A 131 -11.819 13.187 13.674 1.00 0.00 H new ATOM 0 HB2 SER A 131 -12.548 10.903 13.799 1.00 0.00 H new ATOM 0 HB3 SER A 131 -13.930 11.854 14.305 1.00 0.00 H new ATOM 0 HG SER A 131 -14.064 11.698 11.637 1.00 0.00 H new TER 949 SER A 131