USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot -150:sc= -1.54 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.0637 F(o=-1.1,f=-0.064) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.29 F(o=-2.4,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 25:sc= 0.657 USER MOD Single : A 51 SER OG : rot -132:sc= 1.4 USER MOD Single : A 52 SER OG : rot 180:sc= -1.75 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= -2.38! (180deg=-2.64!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -2.23 X(o=-2.2,f=-1.8) USER MOD Single : A 91 TYR OH : rot 78:sc= 1.81 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.39! USER MOD Single : A 94 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.091) USER MOD Single : A 98 LYS NZ :NH3+ -142:sc= -0.39 (180deg=-6.87!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.160 10.164 -6.553 1.00 0.00 N ATOM 28 CA LEU A 23 -6.286 8.753 -6.212 1.00 0.00 C ATOM 29 C LEU A 23 -6.129 8.553 -4.709 1.00 0.00 C ATOM 30 O LEU A 23 -5.238 9.126 -4.091 1.00 0.00 O ATOM 31 CB LEU A 23 -5.248 7.925 -6.979 1.00 0.00 C ATOM 32 CG LEU A 23 -5.320 7.995 -8.518 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.477 6.603 -9.109 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.452 8.897 -8.999 1.00 0.00 C ATOM 0 HA LEU A 23 -7.280 8.412 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.255 8.248 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.352 6.882 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.382 8.429 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.526 6.672 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.624 5.988 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.394 6.149 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.464 8.916 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.404 8.513 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.298 9.907 -8.620 1.00 0.00 H new ATOM 46 N ARG A 24 -7.009 7.745 -4.126 1.00 0.00 N ATOM 47 CA ARG A 24 -6.977 7.474 -2.695 1.00 0.00 C ATOM 48 C ARG A 24 -6.320 6.125 -2.406 1.00 0.00 C ATOM 49 O ARG A 24 -6.735 5.093 -2.933 1.00 0.00 O ATOM 50 CB ARG A 24 -8.403 7.510 -2.125 1.00 0.00 C ATOM 51 CG ARG A 24 -8.593 6.705 -0.845 1.00 0.00 C ATOM 52 CD ARG A 24 -9.528 7.411 0.124 1.00 0.00 C ATOM 53 NE ARG A 24 -10.898 7.468 -0.381 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.963 7.687 0.387 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.820 7.871 1.694 1.00 0.00 N ATOM 56 NH2 ARG A 24 -13.173 7.724 -0.153 1.00 0.00 N ATOM 0 H ARG A 24 -7.757 7.265 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.380 8.247 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.677 8.547 -1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.092 7.134 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.995 5.722 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.626 6.545 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.516 6.892 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.166 8.423 0.305 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.047 7.332 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.891 7.845 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.639 8.038 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.288 7.585 -1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.989 7.892 0.435 1.00 0.00 H new ATOM 70 N LEU A 25 -5.299 6.145 -1.555 1.00 0.00 N ATOM 71 CA LEU A 25 -4.589 4.935 -1.180 1.00 0.00 C ATOM 72 C LEU A 25 -5.248 4.302 0.039 1.00 0.00 C ATOM 73 O LEU A 25 -5.695 5.003 0.946 1.00 0.00 O ATOM 74 CB LEU A 25 -3.127 5.258 -0.874 1.00 0.00 C ATOM 75 CG LEU A 25 -2.158 4.095 -1.054 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.721 4.530 -0.814 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.520 2.953 -0.130 1.00 0.00 C ATOM 0 H LEU A 25 -4.946 6.993 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.628 4.231 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.810 6.078 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.057 5.614 0.154 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.240 3.753 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.055 3.678 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.455 5.315 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.621 4.910 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.817 2.132 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.475 3.294 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.530 2.609 -0.355 1.00 0.00 H new ATOM 89 N SER A 26 -5.317 2.978 0.058 1.00 0.00 N ATOM 90 CA SER A 26 -5.935 2.273 1.179 1.00 0.00 C ATOM 91 C SER A 26 -5.304 0.895 1.379 1.00 0.00 C ATOM 92 O SER A 26 -5.523 -0.011 0.578 1.00 0.00 O ATOM 93 CB SER A 26 -7.440 2.123 0.938 1.00 0.00 C ATOM 94 OG SER A 26 -7.871 2.943 -0.134 1.00 0.00 O ATOM 0 H SER A 26 -4.958 2.373 -0.680 1.00 0.00 H new ATOM 0 HA SER A 26 -5.768 2.861 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.674 1.081 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.984 2.389 1.844 1.00 0.00 H new ATOM 0 HG SER A 26 -8.802 3.212 0.014 1.00 0.00 H new ATOM 100 N VAL A 27 -4.532 0.730 2.453 1.00 0.00 N ATOM 101 CA VAL A 27 -3.894 -0.555 2.732 1.00 0.00 C ATOM 102 C VAL A 27 -4.626 -1.320 3.825 1.00 0.00 C ATOM 103 O VAL A 27 -4.767 -0.845 4.950 1.00 0.00 O ATOM 104 CB VAL A 27 -2.415 -0.400 3.127 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.282 0.093 4.558 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.681 -1.719 2.947 1.00 0.00 C ATOM 0 H VAL A 27 -4.335 1.461 3.137 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.946 -1.121 1.802 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.963 0.345 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.227 0.194 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.773 1.061 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.751 -0.622 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.636 -1.595 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.140 -2.480 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.740 -2.029 1.904 1.00 0.00 H new ATOM 116 N PHE A 28 -5.093 -2.505 3.476 1.00 0.00 N ATOM 117 CA PHE A 28 -5.822 -3.347 4.399 1.00 0.00 C ATOM 118 C PHE A 28 -4.943 -4.402 5.049 1.00 0.00 C ATOM 119 O PHE A 28 -4.043 -4.957 4.423 1.00 0.00 O ATOM 120 CB PHE A 28 -6.976 -4.027 3.679 1.00 0.00 C ATOM 121 CG PHE A 28 -8.209 -4.066 4.522 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.685 -2.898 5.091 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.874 -5.253 4.770 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.803 -2.905 5.889 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.998 -5.272 5.574 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.465 -4.096 6.135 1.00 0.00 C ATOM 0 H PHE A 28 -4.976 -2.908 2.546 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.197 -2.699 5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.187 -3.498 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.688 -5.043 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.170 -1.967 4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.512 -6.172 4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.165 -1.985 6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.511 -6.203 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.344 -4.107 6.763 1.00 0.00 H new ATOM 136 N ARG A 29 -5.238 -4.685 6.312 1.00 0.00 N ATOM 137 CA ARG A 29 -4.507 -5.689 7.065 1.00 0.00 C ATOM 138 C ARG A 29 -5.409 -6.319 8.114 1.00 0.00 C ATOM 139 O ARG A 29 -5.913 -5.637 9.007 1.00 0.00 O ATOM 140 CB ARG A 29 -3.273 -5.069 7.710 1.00 0.00 C ATOM 141 CG ARG A 29 -2.360 -4.408 6.698 1.00 0.00 C ATOM 142 CD ARG A 29 -0.956 -4.230 7.236 1.00 0.00 C ATOM 143 NE ARG A 29 -0.249 -3.170 6.531 1.00 0.00 N ATOM 144 CZ ARG A 29 -0.610 -1.893 6.571 1.00 0.00 C ATOM 145 NH1 ARG A 29 -1.660 -1.516 7.294 1.00 0.00 N ATOM 146 NH2 ARG A 29 0.083 -0.990 5.891 1.00 0.00 N ATOM 0 H ARG A 29 -5.984 -4.228 6.837 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.178 -6.473 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.585 -4.331 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.719 -5.841 8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.327 -5.011 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.768 -3.436 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.999 -3.996 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.405 -5.165 7.137 1.00 0.00 H new ATOM 0 HE ARG A 29 0.569 -3.423 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.192 -2.209 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.934 -0.534 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.891 -1.277 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.192 -0.008 5.920 1.00 0.00 H new ATOM 160 N SER A 30 -5.617 -7.623 7.995 1.00 0.00 N ATOM 161 CA SER A 30 -6.470 -8.344 8.934 1.00 0.00 C ATOM 162 C SER A 30 -5.642 -8.934 10.069 1.00 0.00 C ATOM 163 O SER A 30 -6.082 -8.990 11.217 1.00 0.00 O ATOM 164 CB SER A 30 -7.234 -9.456 8.213 1.00 0.00 C ATOM 165 OG SER A 30 -8.513 -9.010 7.795 1.00 0.00 O ATOM 0 H SER A 30 -5.209 -8.203 7.261 1.00 0.00 H new ATOM 0 HA SER A 30 -7.186 -7.638 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.662 -9.792 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.344 -10.314 8.876 1.00 0.00 H new ATOM 0 HG SER A 30 -8.980 -9.739 7.336 1.00 0.00 H new ATOM 171 N LEU A 31 -4.439 -9.372 9.728 1.00 0.00 N ATOM 172 CA LEU A 31 -3.521 -9.964 10.692 1.00 0.00 C ATOM 173 C LEU A 31 -2.234 -10.363 9.987 1.00 0.00 C ATOM 174 O LEU A 31 -1.159 -9.838 10.277 1.00 0.00 O ATOM 175 CB LEU A 31 -4.159 -11.187 11.357 1.00 0.00 C ATOM 176 CG LEU A 31 -3.761 -11.412 12.816 1.00 0.00 C ATOM 177 CD1 LEU A 31 -4.711 -10.677 13.748 1.00 0.00 C ATOM 178 CD2 LEU A 31 -3.740 -12.899 13.138 1.00 0.00 C ATOM 0 H LEU A 31 -4.072 -9.328 8.778 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.296 -9.230 11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.243 -11.086 11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.892 -12.074 10.783 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.758 -11.013 12.965 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.412 -10.849 14.782 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.677 -9.609 13.533 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.726 -11.046 13.598 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.455 -13.042 14.180 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.731 -13.321 12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.019 -13.401 12.493 1.00 0.00 H new ATOM 190 N LYS A 32 -2.364 -11.283 9.040 1.00 0.00 N ATOM 191 CA LYS A 32 -1.230 -11.750 8.257 1.00 0.00 C ATOM 192 C LYS A 32 -1.448 -11.457 6.772 1.00 0.00 C ATOM 193 O LYS A 32 -0.667 -11.887 5.924 1.00 0.00 O ATOM 194 CB LYS A 32 -1.018 -13.251 8.468 1.00 0.00 C ATOM 195 CG LYS A 32 -0.466 -13.602 9.840 1.00 0.00 C ATOM 196 CD LYS A 32 0.956 -14.133 9.753 1.00 0.00 C ATOM 197 CE LYS A 32 1.265 -15.089 10.894 1.00 0.00 C ATOM 198 NZ LYS A 32 0.826 -16.479 10.590 1.00 0.00 N ATOM 0 H LYS A 32 -3.251 -11.723 8.795 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.340 -11.218 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.967 -13.767 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.335 -13.624 7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.486 -12.718 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.106 -14.349 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.097 -14.644 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.658 -13.300 9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.337 -15.082 11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.770 -14.743 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.055 -17.099 11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.201 -16.491 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.317 -16.820 9.739 1.00 0.00 H new ATOM 212 N HIS A 33 -2.524 -10.729 6.464 1.00 0.00 N ATOM 213 CA HIS A 33 -2.854 -10.388 5.084 1.00 0.00 C ATOM 214 C HIS A 33 -2.787 -8.884 4.850 1.00 0.00 C ATOM 215 O HIS A 33 -3.694 -8.148 5.232 1.00 0.00 O ATOM 216 CB HIS A 33 -4.259 -10.878 4.740 1.00 0.00 C ATOM 217 CG HIS A 33 -4.470 -12.338 4.992 1.00 0.00 C ATOM 218 ND1 HIS A 33 -3.593 -13.318 5.311 1.00 0.00 N flip ATOM 219 CD2 HIS A 33 -5.708 -12.941 4.926 1.00 0.00 C flip ATOM 220 CE1 HIS A 33 -4.310 -14.482 5.431 1.00 0.00 C flip ATOM 221 NE2 HIS A 33 -5.583 -14.229 5.195 1.00 0.00 N flip ATOM 0 H HIS A 33 -3.180 -10.365 7.155 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.120 -10.877 4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.984 -10.310 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.460 -10.668 3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.635 -12.439 4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.898 -15.449 5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.341 -14.911 5.216 1.00 0.00 H new ATOM 230 N ILE A 34 -1.716 -8.439 4.212 1.00 0.00 N ATOM 231 CA ILE A 34 -1.522 -7.042 3.913 1.00 0.00 C ATOM 232 C ILE A 34 -1.915 -6.759 2.463 1.00 0.00 C ATOM 233 O ILE A 34 -1.554 -7.516 1.564 1.00 0.00 O ATOM 234 CB ILE A 34 -0.050 -6.678 4.126 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.196 -5.232 3.751 1.00 0.00 C ATOM 236 CG2 ILE A 34 0.844 -7.607 3.319 1.00 0.00 C ATOM 237 CD1 ILE A 34 1.627 -4.795 3.966 1.00 0.00 C ATOM 0 H ILE A 34 -0.960 -9.043 3.889 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.148 -6.442 4.574 1.00 0.00 H new ATOM 0 HB ILE A 34 0.193 -6.801 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.068 -5.085 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.464 -4.594 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.888 -7.337 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.682 -8.636 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.604 -7.514 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.735 -3.749 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.889 -4.911 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.290 -5.410 3.357 1.00 0.00 H new ATOM 249 N TYR A 35 -2.677 -5.690 2.236 1.00 0.00 N ATOM 250 CA TYR A 35 -3.129 -5.368 0.883 1.00 0.00 C ATOM 251 C TYR A 35 -3.260 -3.864 0.641 1.00 0.00 C ATOM 252 O TYR A 35 -4.179 -3.237 1.149 1.00 0.00 O ATOM 253 CB TYR A 35 -4.490 -6.030 0.638 1.00 0.00 C ATOM 254 CG TYR A 35 -4.392 -7.509 0.339 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.098 -8.423 1.343 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.580 -7.991 -0.951 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.993 -9.773 1.072 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.481 -9.341 -1.230 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.187 -10.227 -0.215 1.00 0.00 C ATOM 260 OH TYR A 35 -4.084 -11.572 -0.489 1.00 0.00 O ATOM 0 H TYR A 35 -2.990 -5.041 2.958 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.374 -5.745 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.120 -5.885 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.984 -5.530 -0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.949 -8.072 2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.807 -7.299 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.760 -10.469 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.633 -9.700 -2.237 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.250 -11.725 -1.443 1.00 0.00 H new ATOM 270 N ALA A 36 -2.382 -3.292 -0.182 1.00 0.00 N ATOM 271 CA ALA A 36 -2.484 -1.872 -0.497 1.00 0.00 C ATOM 272 C ALA A 36 -3.300 -1.697 -1.760 1.00 0.00 C ATOM 273 O ALA A 36 -2.954 -2.220 -2.818 1.00 0.00 O ATOM 274 CB ALA A 36 -1.121 -1.213 -0.667 1.00 0.00 C ATOM 0 H ALA A 36 -1.608 -3.780 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.974 -1.382 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.254 -0.157 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.551 -1.311 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.581 -1.699 -1.480 1.00 0.00 H new ATOM 280 N GLN A 37 -4.386 -0.963 -1.633 1.00 0.00 N ATOM 281 CA GLN A 37 -5.273 -0.712 -2.753 1.00 0.00 C ATOM 282 C GLN A 37 -5.224 0.750 -3.144 1.00 0.00 C ATOM 283 O GLN A 37 -5.667 1.623 -2.397 1.00 0.00 O ATOM 284 CB GLN A 37 -6.709 -1.107 -2.401 1.00 0.00 C ATOM 285 CG GLN A 37 -7.534 -1.539 -3.603 1.00 0.00 C ATOM 286 CD GLN A 37 -7.986 -2.984 -3.514 1.00 0.00 C ATOM 287 OE1 GLN A 37 -8.071 -3.649 -4.659 1.00 0.00 O flip ATOM 288 NE2 GLN A 37 -8.254 -3.496 -2.427 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.678 -0.526 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.939 -1.317 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.686 -1.920 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.201 -0.263 -1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.408 -0.894 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.946 -1.402 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.175 -2.947 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.555 -4.469 -2.382 1.00 0.00 H new ATOM 297 N ILE A 38 -4.697 1.009 -4.325 1.00 0.00 N ATOM 298 CA ILE A 38 -4.605 2.363 -4.827 1.00 0.00 C ATOM 299 C ILE A 38 -5.799 2.636 -5.724 1.00 0.00 C ATOM 300 O ILE A 38 -5.840 2.216 -6.884 1.00 0.00 O ATOM 301 CB ILE A 38 -3.288 2.616 -5.586 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.162 1.701 -5.049 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.913 4.087 -5.474 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.274 2.320 -3.992 1.00 0.00 C ATOM 0 H ILE A 38 -4.326 0.297 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.610 3.046 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.426 2.373 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.615 0.799 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.538 1.390 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.981 4.267 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.705 4.698 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.784 4.351 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.519 1.598 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.785 3.204 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.878 2.604 -3.130 1.00 0.00 H new ATOM 316 N ILE A 39 -6.793 3.296 -5.146 1.00 0.00 N ATOM 317 CA ILE A 39 -8.039 3.592 -5.844 1.00 0.00 C ATOM 318 C ILE A 39 -8.095 5.024 -6.358 1.00 0.00 C ATOM 319 O ILE A 39 -7.310 5.875 -5.951 1.00 0.00 O ATOM 320 CB ILE A 39 -9.246 3.368 -4.905 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.073 2.072 -4.110 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.548 3.345 -5.689 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.517 2.293 -2.721 1.00 0.00 C ATOM 0 H ILE A 39 -6.761 3.640 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.081 2.916 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.289 4.201 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.037 1.570 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.409 1.404 -4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.382 3.186 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.679 4.296 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.519 2.537 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.419 1.334 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.538 2.768 -2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.192 2.936 -2.157 1.00 0.00 H new ATOM 335 N ASP A 40 -9.056 5.280 -7.239 1.00 0.00 N ATOM 336 CA ASP A 40 -9.266 6.604 -7.795 1.00 0.00 C ATOM 337 C ASP A 40 -10.410 7.270 -7.043 1.00 0.00 C ATOM 338 O ASP A 40 -11.564 6.823 -7.134 1.00 0.00 O ATOM 339 CB ASP A 40 -9.594 6.523 -9.289 1.00 0.00 C ATOM 340 CG ASP A 40 -8.902 7.606 -10.094 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.121 8.799 -9.795 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.141 7.261 -11.022 1.00 0.00 O ATOM 0 H ASP A 40 -9.707 4.575 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.354 7.190 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.298 5.546 -9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.672 6.605 -9.426 1.00 0.00 H new ATOM 347 N ASP A 41 -10.068 8.313 -6.281 1.00 0.00 N ATOM 348 CA ASP A 41 -11.034 9.052 -5.463 1.00 0.00 C ATOM 349 C ASP A 41 -11.670 10.215 -6.225 1.00 0.00 C ATOM 350 O ASP A 41 -12.149 11.177 -5.625 1.00 0.00 O ATOM 351 CB ASP A 41 -10.366 9.568 -4.186 1.00 0.00 C ATOM 352 CG ASP A 41 -9.318 10.628 -4.461 1.00 0.00 C ATOM 353 OD1 ASP A 41 -9.671 11.675 -5.045 1.00 0.00 O ATOM 354 OD2 ASP A 41 -8.144 10.411 -4.094 1.00 0.00 O ATOM 0 H ASP A 41 -9.114 8.669 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.831 8.356 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.127 9.979 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.903 8.733 -3.660 1.00 0.00 H new ATOM 359 N GLU A 42 -11.723 10.086 -7.539 1.00 0.00 N ATOM 360 CA GLU A 42 -12.360 11.081 -8.398 1.00 0.00 C ATOM 361 C GLU A 42 -13.609 10.413 -8.919 1.00 0.00 C ATOM 362 O GLU A 42 -14.724 10.927 -8.825 1.00 0.00 O ATOM 363 CB GLU A 42 -11.435 11.493 -9.547 1.00 0.00 C ATOM 364 CG GLU A 42 -12.114 12.360 -10.595 1.00 0.00 C ATOM 365 CD GLU A 42 -11.126 13.018 -11.537 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.067 12.412 -11.805 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.411 14.139 -12.008 1.00 0.00 O ATOM 0 H GLU A 42 -11.328 9.293 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.588 11.998 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.581 12.033 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.045 10.596 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.809 11.749 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.704 13.130 -10.097 1.00 0.00 H new ATOM 374 N LYS A 43 -13.379 9.197 -9.372 1.00 0.00 N ATOM 375 CA LYS A 43 -14.405 8.300 -9.822 1.00 0.00 C ATOM 376 C LYS A 43 -14.053 6.967 -9.194 1.00 0.00 C ATOM 377 O LYS A 43 -12.969 6.444 -9.441 1.00 0.00 O ATOM 378 CB LYS A 43 -14.418 8.195 -11.348 1.00 0.00 C ATOM 379 CG LYS A 43 -15.327 9.210 -12.021 1.00 0.00 C ATOM 380 CD LYS A 43 -14.841 9.549 -13.420 1.00 0.00 C ATOM 381 CE LYS A 43 -15.762 10.549 -14.101 1.00 0.00 C ATOM 382 NZ LYS A 43 -15.508 11.941 -13.638 1.00 0.00 N ATOM 0 H LYS A 43 -12.441 8.801 -9.436 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.400 8.643 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.402 8.326 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.735 7.192 -11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.341 8.814 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.369 10.118 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.832 9.959 -13.367 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.784 8.639 -14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.623 10.494 -15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.800 10.283 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.156 12.593 -14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.665 12.000 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.525 12.205 -13.853 1.00 0.00 H new ATOM 396 N GLY A 44 -14.930 6.441 -8.351 1.00 0.00 N ATOM 397 CA GLY A 44 -14.633 5.190 -7.676 1.00 0.00 C ATOM 398 C GLY A 44 -14.016 4.166 -8.603 1.00 0.00 C ATOM 399 O GLY A 44 -14.729 3.404 -9.256 1.00 0.00 O ATOM 0 H GLY A 44 -15.835 6.852 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.953 5.381 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.550 4.784 -7.250 1.00 0.00 H new ATOM 403 N VAL A 45 -12.686 4.169 -8.693 1.00 0.00 N ATOM 404 CA VAL A 45 -12.005 3.243 -9.596 1.00 0.00 C ATOM 405 C VAL A 45 -10.756 2.613 -8.983 1.00 0.00 C ATOM 406 O VAL A 45 -9.751 3.285 -8.782 1.00 0.00 O ATOM 407 CB VAL A 45 -11.596 3.969 -10.893 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.875 3.023 -11.844 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.814 4.588 -11.568 1.00 0.00 C ATOM 0 H VAL A 45 -12.071 4.787 -8.165 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.718 2.444 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.906 4.770 -10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.598 3.560 -12.751 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.977 2.637 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.534 2.194 -12.101 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.505 5.096 -12.482 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.531 3.805 -11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.278 5.307 -10.893 1.00 0.00 H new ATOM 419 N THR A 46 -10.804 1.305 -8.740 1.00 0.00 N ATOM 420 CA THR A 46 -9.647 0.594 -8.204 1.00 0.00 C ATOM 421 C THR A 46 -8.656 0.341 -9.334 1.00 0.00 C ATOM 422 O THR A 46 -8.992 -0.302 -10.329 1.00 0.00 O ATOM 423 CB THR A 46 -10.068 -0.730 -7.559 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.278 -0.574 -6.839 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.032 -1.287 -6.602 1.00 0.00 C ATOM 0 H THR A 46 -11.624 0.721 -8.904 1.00 0.00 H new ATOM 0 HA THR A 46 -9.178 1.204 -7.432 1.00 0.00 H new ATOM 0 HB THR A 46 -10.188 -1.429 -8.386 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.531 -1.430 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.393 -2.225 -6.181 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.100 -1.465 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.857 -0.572 -5.798 1.00 0.00 H new ATOM 433 N LEU A 47 -7.448 0.873 -9.199 1.00 0.00 N ATOM 434 CA LEU A 47 -6.438 0.721 -10.239 1.00 0.00 C ATOM 435 C LEU A 47 -5.397 -0.326 -9.876 1.00 0.00 C ATOM 436 O LEU A 47 -5.198 -1.293 -10.612 1.00 0.00 O ATOM 437 CB LEU A 47 -5.752 2.057 -10.510 1.00 0.00 C ATOM 438 CG LEU A 47 -6.677 3.267 -10.474 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.829 3.798 -9.057 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.163 4.351 -11.404 1.00 0.00 C ATOM 0 H LEU A 47 -7.145 1.410 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.951 0.383 -11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.961 2.200 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.273 2.012 -11.488 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.663 2.954 -10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.494 4.661 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.249 3.020 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.853 4.094 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.834 5.209 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.165 4.657 -11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.121 3.966 -12.423 1.00 0.00 H new ATOM 452 N VAL A 48 -4.716 -0.126 -8.755 1.00 0.00 N ATOM 453 CA VAL A 48 -3.682 -1.057 -8.332 1.00 0.00 C ATOM 454 C VAL A 48 -3.984 -1.660 -6.965 1.00 0.00 C ATOM 455 O VAL A 48 -4.558 -1.010 -6.092 1.00 0.00 O ATOM 456 CB VAL A 48 -2.296 -0.368 -8.315 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.424 -0.877 -7.174 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.602 -0.568 -9.652 1.00 0.00 C ATOM 0 H VAL A 48 -4.860 0.666 -8.128 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.666 -1.869 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.452 0.698 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.460 -0.368 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.917 -0.677 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.270 -1.950 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.627 -0.080 -9.633 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.471 -1.634 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.209 -0.133 -10.446 1.00 0.00 H new ATOM 468 N SER A 49 -3.573 -2.910 -6.794 1.00 0.00 N ATOM 469 CA SER A 49 -3.768 -3.625 -5.544 1.00 0.00 C ATOM 470 C SER A 49 -2.649 -4.638 -5.347 1.00 0.00 C ATOM 471 O SER A 49 -2.513 -5.588 -6.117 1.00 0.00 O ATOM 472 CB SER A 49 -5.128 -4.320 -5.533 1.00 0.00 C ATOM 473 OG SER A 49 -5.203 -5.318 -6.537 1.00 0.00 O ATOM 0 H SER A 49 -3.098 -3.453 -7.515 1.00 0.00 H new ATOM 0 HA SER A 49 -3.744 -2.910 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.301 -4.770 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.917 -3.584 -5.689 1.00 0.00 H new ATOM 0 HG SER A 49 -4.300 -5.631 -6.756 1.00 0.00 H new ATOM 479 N ALA A 50 -1.841 -4.417 -4.320 1.00 0.00 N ATOM 480 CA ALA A 50 -0.717 -5.301 -4.027 1.00 0.00 C ATOM 481 C ALA A 50 -0.815 -5.884 -2.624 1.00 0.00 C ATOM 482 O ALA A 50 -1.460 -5.312 -1.746 1.00 0.00 O ATOM 483 CB ALA A 50 0.597 -4.553 -4.196 1.00 0.00 C ATOM 0 H ALA A 50 -1.941 -3.634 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.751 -6.130 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.428 -5.223 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.683 -4.195 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.623 -3.704 -3.512 1.00 0.00 H new ATOM 489 N SER A 51 -0.166 -7.025 -2.421 1.00 0.00 N ATOM 490 CA SER A 51 -0.173 -7.690 -1.124 1.00 0.00 C ATOM 491 C SER A 51 1.119 -8.475 -0.909 1.00 0.00 C ATOM 492 O SER A 51 1.502 -9.297 -1.740 1.00 0.00 O ATOM 493 CB SER A 51 -1.377 -8.628 -1.020 1.00 0.00 C ATOM 494 OG SER A 51 -1.894 -8.941 -2.302 1.00 0.00 O ATOM 0 H SER A 51 0.372 -7.509 -3.139 1.00 0.00 H new ATOM 0 HA SER A 51 -0.246 -6.927 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.084 -9.545 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.154 -8.161 -0.415 1.00 0.00 H new ATOM 0 HG SER A 51 -2.867 -8.824 -2.300 1.00 0.00 H new ATOM 500 N SER A 52 1.785 -8.215 0.213 1.00 0.00 N ATOM 501 CA SER A 52 3.034 -8.897 0.537 1.00 0.00 C ATOM 502 C SER A 52 2.846 -10.414 0.554 1.00 0.00 C ATOM 503 O SER A 52 3.520 -11.141 -0.176 1.00 0.00 O ATOM 504 CB SER A 52 3.560 -8.419 1.893 1.00 0.00 C ATOM 505 OG SER A 52 3.040 -9.199 2.954 1.00 0.00 O ATOM 0 H SER A 52 1.481 -7.538 0.912 1.00 0.00 H new ATOM 0 HA SER A 52 3.762 -8.653 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.649 -8.471 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.290 -7.374 2.042 1.00 0.00 H new ATOM 0 HG SER A 52 3.395 -8.871 3.806 1.00 0.00 H new ATOM 679 N GLU A 63 9.658 -6.371 7.276 1.00 0.00 N ATOM 680 CA GLU A 63 10.945 -6.331 6.590 1.00 0.00 C ATOM 681 C GLU A 63 10.760 -6.010 5.111 1.00 0.00 C ATOM 682 O GLU A 63 11.480 -5.184 4.550 1.00 0.00 O ATOM 683 CB GLU A 63 11.672 -7.668 6.748 1.00 0.00 C ATOM 684 CG GLU A 63 13.039 -7.700 6.083 1.00 0.00 C ATOM 685 CD GLU A 63 13.370 -9.057 5.494 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.545 -9.586 4.720 1.00 0.00 O ATOM 687 OE2 GLU A 63 14.455 -9.592 5.807 1.00 0.00 O ATOM 0 HA GLU A 63 11.548 -5.543 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.789 -7.885 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.054 -8.460 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.073 -6.948 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.801 -7.430 6.814 1.00 0.00 H new ATOM 694 N VAL A 64 9.790 -6.669 4.485 1.00 0.00 N ATOM 695 CA VAL A 64 9.511 -6.451 3.072 1.00 0.00 C ATOM 696 C VAL A 64 8.413 -5.412 2.869 1.00 0.00 C ATOM 697 O VAL A 64 8.300 -4.838 1.790 1.00 0.00 O ATOM 698 CB VAL A 64 9.093 -7.757 2.366 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.668 -7.478 0.929 1.00 0.00 C ATOM 700 CG2 VAL A 64 10.225 -8.772 2.408 1.00 0.00 C ATOM 0 H VAL A 64 9.186 -7.357 4.934 1.00 0.00 H new ATOM 0 HA VAL A 64 10.439 -6.085 2.632 1.00 0.00 H new ATOM 0 HB VAL A 64 8.239 -8.177 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.377 -8.412 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.823 -6.790 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.500 -7.033 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.912 -9.687 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.100 -8.362 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.475 -8.995 3.445 1.00 0.00 H new ATOM 710 N ALA A 65 7.597 -5.184 3.900 1.00 0.00 N ATOM 711 CA ALA A 65 6.496 -4.222 3.818 1.00 0.00 C ATOM 712 C ALA A 65 6.832 -3.057 2.898 1.00 0.00 C ATOM 713 O ALA A 65 6.021 -2.645 2.075 1.00 0.00 O ATOM 714 CB ALA A 65 6.143 -3.709 5.197 1.00 0.00 C ATOM 0 H ALA A 65 7.678 -5.653 4.802 1.00 0.00 H new ATOM 0 HA ALA A 65 5.636 -4.742 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.323 -2.995 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.840 -4.544 5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.012 -3.218 5.636 1.00 0.00 H new ATOM 720 N ARG A 66 8.042 -2.545 3.024 1.00 0.00 N ATOM 721 CA ARG A 66 8.480 -1.445 2.182 1.00 0.00 C ATOM 722 C ARG A 66 8.555 -1.909 0.751 1.00 0.00 C ATOM 723 O ARG A 66 7.872 -1.391 -0.129 1.00 0.00 O ATOM 724 CB ARG A 66 9.837 -0.943 2.628 1.00 0.00 C ATOM 725 CG ARG A 66 9.918 0.560 2.630 1.00 0.00 C ATOM 726 CD ARG A 66 10.974 1.053 1.672 1.00 0.00 C ATOM 727 NE ARG A 66 12.311 0.581 2.030 1.00 0.00 N ATOM 728 CZ ARG A 66 13.219 1.318 2.670 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.945 2.564 3.036 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.409 0.803 2.948 1.00 0.00 N ATOM 0 H ARG A 66 8.736 -2.870 3.697 1.00 0.00 H new ATOM 0 HA ARG A 66 7.763 -0.629 2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.049 -1.317 3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.606 -1.345 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.950 0.979 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.144 0.913 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.731 0.719 0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.968 2.143 1.657 1.00 0.00 H new ATOM 0 HE ARG A 66 12.565 -0.373 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.032 2.967 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.648 3.118 3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.627 -0.154 2.672 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.106 1.364 3.438 1.00 0.00 H new ATOM 744 N GLN A 67 9.374 -2.920 0.540 1.00 0.00 N ATOM 745 CA GLN A 67 9.526 -3.510 -0.776 1.00 0.00 C ATOM 746 C GLN A 67 8.149 -3.831 -1.352 1.00 0.00 C ATOM 747 O GLN A 67 7.973 -3.897 -2.569 1.00 0.00 O ATOM 748 CB GLN A 67 10.377 -4.779 -0.699 1.00 0.00 C ATOM 749 CG GLN A 67 11.865 -4.523 -0.877 1.00 0.00 C ATOM 750 CD GLN A 67 12.717 -5.675 -0.381 1.00 0.00 C ATOM 751 OE1 GLN A 67 13.476 -5.534 0.578 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.596 -6.825 -1.034 1.00 0.00 N ATOM 0 H GLN A 67 9.947 -3.352 1.265 1.00 0.00 H new ATOM 0 HA GLN A 67 10.032 -2.799 -1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.212 -5.260 0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.042 -5.478 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.076 -4.347 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.141 -3.615 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.955 -6.898 -1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.144 -7.635 -0.746 1.00 0.00 H new ATOM 761 N VAL A 68 7.158 -4.002 -0.469 1.00 0.00 N ATOM 762 CA VAL A 68 5.806 -4.279 -0.926 1.00 0.00 C ATOM 763 C VAL A 68 5.151 -2.987 -1.391 1.00 0.00 C ATOM 764 O VAL A 68 4.352 -2.982 -2.328 1.00 0.00 O ATOM 765 CB VAL A 68 4.924 -4.991 0.141 1.00 0.00 C ATOM 766 CG1 VAL A 68 4.137 -4.019 1.020 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.968 -5.940 -0.555 1.00 0.00 C ATOM 0 H VAL A 68 7.270 -3.953 0.544 1.00 0.00 H new ATOM 0 HA VAL A 68 5.887 -4.978 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 68 5.597 -5.535 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.543 -4.580 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.830 -3.365 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.476 -3.418 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.348 -6.441 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.332 -5.379 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.536 -6.683 -1.115 1.00 0.00 H new ATOM 777 N GLY A 69 5.521 -1.881 -0.744 1.00 0.00 N ATOM 778 CA GLY A 69 4.982 -0.600 -1.129 1.00 0.00 C ATOM 779 C GLY A 69 5.663 -0.081 -2.368 1.00 0.00 C ATOM 780 O GLY A 69 5.064 0.646 -3.143 1.00 0.00 O ATOM 0 H GLY A 69 6.180 -1.857 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.911 -0.691 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.109 0.112 -0.314 1.00 0.00 H new ATOM 784 N ARG A 70 6.931 -0.452 -2.548 1.00 0.00 N ATOM 785 CA ARG A 70 7.689 -0.012 -3.710 1.00 0.00 C ATOM 786 C ARG A 70 7.167 -0.716 -4.950 1.00 0.00 C ATOM 787 O ARG A 70 7.015 -0.102 -6.004 1.00 0.00 O ATOM 788 CB ARG A 70 9.192 -0.266 -3.517 1.00 0.00 C ATOM 789 CG ARG A 70 9.645 -1.673 -3.876 1.00 0.00 C ATOM 790 CD ARG A 70 9.991 -1.789 -5.352 1.00 0.00 C ATOM 791 NE ARG A 70 11.241 -2.516 -5.565 1.00 0.00 N ATOM 792 CZ ARG A 70 11.398 -3.812 -5.306 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.388 -4.527 -4.825 1.00 0.00 N ATOM 794 NH2 ARG A 70 12.567 -4.396 -5.528 1.00 0.00 N ATOM 0 H ARG A 70 7.449 -1.052 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 70 7.558 1.063 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.749 0.447 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.450 -0.069 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.515 -1.940 -3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.856 -2.384 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.182 -2.298 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.073 -0.792 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 70 12.040 -2.000 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.486 -4.083 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.514 -5.520 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.347 -3.852 -5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.687 -5.389 -5.329 1.00 0.00 H new ATOM 808 N ALA A 71 6.854 -2.000 -4.806 1.00 0.00 N ATOM 809 CA ALA A 71 6.303 -2.765 -5.910 1.00 0.00 C ATOM 810 C ALA A 71 4.928 -2.215 -6.248 1.00 0.00 C ATOM 811 O ALA A 71 4.575 -2.055 -7.415 1.00 0.00 O ATOM 812 CB ALA A 71 6.218 -4.239 -5.554 1.00 0.00 C ATOM 0 H ALA A 71 6.973 -2.526 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 71 6.956 -2.673 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.802 -4.793 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.215 -4.617 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.575 -4.366 -4.683 1.00 0.00 H new ATOM 818 N LEU A 72 4.176 -1.882 -5.201 1.00 0.00 N ATOM 819 CA LEU A 72 2.854 -1.301 -5.350 1.00 0.00 C ATOM 820 C LEU A 72 2.999 0.039 -6.032 1.00 0.00 C ATOM 821 O LEU A 72 2.419 0.300 -7.086 1.00 0.00 O ATOM 822 CB LEU A 72 2.224 -1.115 -3.973 1.00 0.00 C ATOM 823 CG LEU A 72 0.918 -0.318 -3.943 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.276 -1.250 -3.798 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.950 0.698 -2.808 1.00 0.00 C ATOM 0 H LEU A 72 4.469 -2.009 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 72 2.216 -1.955 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.038 -2.099 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.947 -0.617 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 72 0.815 0.218 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.195 -0.664 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.303 -1.940 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.186 -1.815 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.016 1.260 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.073 0.178 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.784 1.384 -2.957 1.00 0.00 H new ATOM 837 N ALA A 73 3.824 0.868 -5.416 1.00 0.00 N ATOM 838 CA ALA A 73 4.125 2.194 -5.942 1.00 0.00 C ATOM 839 C ALA A 73 4.633 2.085 -7.364 1.00 0.00 C ATOM 840 O ALA A 73 4.492 3.012 -8.153 1.00 0.00 O ATOM 841 CB ALA A 73 5.142 2.911 -5.059 1.00 0.00 C ATOM 0 H ALA A 73 4.303 0.646 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 73 3.208 2.784 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.350 3.898 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.739 3.017 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.064 2.331 -5.022 1.00 0.00 H new ATOM 847 N GLU A 74 5.192 0.930 -7.690 1.00 0.00 N ATOM 848 CA GLU A 74 5.686 0.674 -9.020 1.00 0.00 C ATOM 849 C GLU A 74 4.504 0.518 -9.965 1.00 0.00 C ATOM 850 O GLU A 74 4.532 0.973 -11.108 1.00 0.00 O ATOM 851 CB GLU A 74 6.527 -0.593 -9.007 1.00 0.00 C ATOM 852 CG GLU A 74 7.539 -0.657 -10.131 1.00 0.00 C ATOM 853 CD GLU A 74 7.707 -2.055 -10.691 1.00 0.00 C ATOM 854 OE1 GLU A 74 6.765 -2.549 -11.346 1.00 0.00 O ATOM 855 OE2 GLU A 74 8.780 -2.657 -10.474 1.00 0.00 O ATOM 0 H GLU A 74 5.312 0.153 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 74 6.306 1.504 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.050 -0.663 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.867 -1.458 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.229 0.015 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.502 -0.298 -9.768 1.00 0.00 H new ATOM 862 N LYS A 75 3.455 -0.115 -9.450 1.00 0.00 N ATOM 863 CA LYS A 75 2.228 -0.328 -10.205 1.00 0.00 C ATOM 864 C LYS A 75 1.486 0.978 -10.365 1.00 0.00 C ATOM 865 O LYS A 75 1.323 1.490 -11.471 1.00 0.00 O ATOM 866 CB LYS A 75 1.332 -1.313 -9.480 1.00 0.00 C ATOM 867 CG LYS A 75 2.070 -2.518 -8.979 1.00 0.00 C ATOM 868 CD LYS A 75 1.168 -3.415 -8.157 1.00 0.00 C ATOM 869 CE LYS A 75 1.634 -4.861 -8.191 1.00 0.00 C ATOM 870 NZ LYS A 75 1.439 -5.539 -6.880 1.00 0.00 N ATOM 0 H LYS A 75 3.432 -0.492 -8.503 1.00 0.00 H new ATOM 0 HA LYS A 75 2.492 -0.725 -11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.855 -0.810 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.536 -1.635 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.471 -3.078 -9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.920 -2.201 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.147 -3.063 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.148 -3.352 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.086 -5.401 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.689 -4.896 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.722 -6.537 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.022 -5.071 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.437 -5.484 -6.606 1.00 0.00 H new ATOM 884 N ALA A 76 1.047 1.513 -9.232 1.00 0.00 N ATOM 885 CA ALA A 76 0.324 2.784 -9.215 1.00 0.00 C ATOM 886 C ALA A 76 1.034 3.784 -10.110 1.00 0.00 C ATOM 887 O ALA A 76 0.415 4.533 -10.866 1.00 0.00 O ATOM 888 CB ALA A 76 0.228 3.341 -7.803 1.00 0.00 C ATOM 0 H ALA A 76 1.177 1.089 -8.313 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.687 2.609 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.314 4.286 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.301 2.631 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.230 3.505 -7.408 1.00 0.00 H new ATOM 894 N LEU A 77 2.354 3.762 -10.023 1.00 0.00 N ATOM 895 CA LEU A 77 3.189 4.629 -10.824 1.00 0.00 C ATOM 896 C LEU A 77 2.968 4.388 -12.311 1.00 0.00 C ATOM 897 O LEU A 77 2.931 5.326 -13.106 1.00 0.00 O ATOM 898 CB LEU A 77 4.653 4.392 -10.480 1.00 0.00 C ATOM 899 CG LEU A 77 5.242 5.307 -9.411 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.686 4.917 -9.134 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.152 6.763 -9.848 1.00 0.00 C ATOM 0 H LEU A 77 2.871 3.144 -9.397 1.00 0.00 H new ATOM 0 HA LEU A 77 2.919 5.661 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.766 3.359 -10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.243 4.502 -11.390 1.00 0.00 H new ATOM 0 HG LEU A 77 4.667 5.193 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.100 5.575 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.724 3.885 -8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.270 5.011 -10.049 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.577 7.402 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.707 6.899 -10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.108 7.031 -10.007 1.00 0.00 H new ATOM 913 N ALA A 78 2.824 3.121 -12.675 1.00 0.00 N ATOM 914 CA ALA A 78 2.605 2.738 -14.063 1.00 0.00 C ATOM 915 C ALA A 78 1.440 3.514 -14.670 1.00 0.00 C ATOM 916 O ALA A 78 1.377 3.712 -15.884 1.00 0.00 O ATOM 917 CB ALA A 78 2.372 1.243 -14.147 1.00 0.00 C ATOM 0 H ALA A 78 2.855 2.337 -12.024 1.00 0.00 H new ATOM 0 HA ALA A 78 3.494 2.987 -14.642 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.208 0.958 -15.186 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.244 0.716 -13.759 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.496 0.978 -13.556 1.00 0.00 H new ATOM 923 N LEU A 79 0.538 3.982 -13.812 1.00 0.00 N ATOM 924 CA LEU A 79 -0.603 4.771 -14.249 1.00 0.00 C ATOM 925 C LEU A 79 -0.210 6.240 -14.258 1.00 0.00 C ATOM 926 O LEU A 79 -0.757 7.049 -15.008 1.00 0.00 O ATOM 927 CB LEU A 79 -1.796 4.588 -13.301 1.00 0.00 C ATOM 928 CG LEU A 79 -1.819 3.308 -12.461 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.346 3.615 -11.067 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.673 2.244 -13.134 1.00 0.00 C ATOM 0 H LEU A 79 0.578 3.826 -12.805 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.893 4.439 -15.246 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.825 5.440 -12.622 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.710 4.622 -13.894 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.803 2.923 -12.376 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.360 2.701 -10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.699 4.349 -10.587 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.357 4.016 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.678 1.341 -12.523 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.693 2.613 -13.245 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.261 2.015 -14.117 1.00 0.00 H new ATOM 942 N GLY A 80 0.737 6.567 -13.388 1.00 0.00 N ATOM 943 CA GLY A 80 1.211 7.922 -13.252 1.00 0.00 C ATOM 944 C GLY A 80 0.773 8.524 -11.934 1.00 0.00 C ATOM 945 O GLY A 80 0.868 9.734 -11.731 1.00 0.00 O ATOM 0 H GLY A 80 1.190 5.899 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.299 7.938 -13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.832 8.527 -14.075 1.00 0.00 H new ATOM 949 N ILE A 81 0.293 7.667 -11.033 1.00 0.00 N ATOM 950 CA ILE A 81 -0.158 8.108 -9.727 1.00 0.00 C ATOM 951 C ILE A 81 1.009 8.646 -8.925 1.00 0.00 C ATOM 952 O ILE A 81 1.898 7.904 -8.508 1.00 0.00 O ATOM 953 CB ILE A 81 -0.882 6.966 -8.967 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.303 6.752 -9.524 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.946 7.253 -7.470 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.574 7.425 -10.857 1.00 0.00 C ATOM 0 H ILE A 81 0.209 6.663 -11.191 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.880 8.913 -9.867 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.305 6.054 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.478 5.682 -9.632 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.023 7.121 -8.794 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.459 6.435 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.065 7.347 -7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.490 8.182 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.598 7.218 -11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.436 8.501 -10.756 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.883 7.040 -11.606 1.00 0.00 H new ATOM 968 N LYS A 82 1.002 9.955 -8.742 1.00 0.00 N ATOM 969 CA LYS A 82 2.045 10.634 -8.029 1.00 0.00 C ATOM 970 C LYS A 82 1.694 10.801 -6.559 1.00 0.00 C ATOM 971 O LYS A 82 2.437 10.372 -5.679 1.00 0.00 O ATOM 972 CB LYS A 82 2.262 11.992 -8.671 1.00 0.00 C ATOM 973 CG LYS A 82 3.533 12.629 -8.215 1.00 0.00 C ATOM 974 CD LYS A 82 4.111 13.569 -9.262 1.00 0.00 C ATOM 975 CE LYS A 82 5.596 13.321 -9.474 1.00 0.00 C ATOM 976 NZ LYS A 82 6.400 13.716 -8.284 1.00 0.00 N ATOM 0 H LYS A 82 0.266 10.570 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 82 2.957 10.040 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.280 11.882 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.423 12.645 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.350 13.182 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.263 11.854 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.581 13.436 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.954 14.602 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.761 12.265 -9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.937 13.881 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.407 13.531 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.263 14.729 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.092 13.164 -7.458 1.00 0.00 H new ATOM 990 N GLN A 83 0.555 11.426 -6.305 1.00 0.00 N ATOM 991 CA GLN A 83 0.090 11.656 -4.946 1.00 0.00 C ATOM 992 C GLN A 83 -1.166 10.845 -4.675 1.00 0.00 C ATOM 993 O GLN A 83 -1.938 10.559 -5.590 1.00 0.00 O ATOM 994 CB GLN A 83 -0.190 13.144 -4.722 1.00 0.00 C ATOM 995 CG GLN A 83 0.708 13.769 -3.673 1.00 0.00 C ATOM 996 CD GLN A 83 -0.042 14.177 -2.420 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.172 14.661 -2.489 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.587 13.984 -1.266 1.00 0.00 N ATOM 0 H GLN A 83 -0.068 11.785 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 83 0.871 11.339 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.063 13.677 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.230 13.270 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.493 13.061 -3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.199 14.645 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.523 13.580 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.134 14.240 -0.389 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.371 10.471 -3.419 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.545 9.689 -3.060 1.00 0.00 C ATOM 1009 C VAL A 84 -3.214 10.207 -1.796 1.00 0.00 C ATOM 1010 O VAL A 84 -2.604 10.902 -0.984 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.224 8.189 -2.846 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.281 7.322 -3.495 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.854 7.815 -3.377 1.00 0.00 C ATOM 0 H VAL A 84 -0.749 10.693 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.220 9.796 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.222 8.014 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.039 6.271 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.253 7.542 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.313 7.527 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.674 6.754 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.810 8.021 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.092 8.401 -2.863 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.465 9.807 -1.628 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.246 10.156 -0.456 1.00 0.00 C ATOM 1025 C ALA A 85 -5.322 8.923 0.420 1.00 0.00 C ATOM 1026 O ALA A 85 -6.221 8.097 0.273 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.637 10.629 -0.852 1.00 0.00 C ATOM 0 H ALA A 85 -4.966 9.230 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.776 10.977 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.203 10.885 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.554 11.507 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.152 9.834 -1.392 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.334 8.767 1.284 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.254 7.588 2.123 1.00 0.00 C ATOM 1035 C PHE A 86 -5.155 7.658 3.344 1.00 0.00 C ATOM 1036 O PHE A 86 -4.895 8.397 4.293 1.00 0.00 O ATOM 1037 CB PHE A 86 -2.818 7.351 2.556 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.622 5.979 3.094 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -3.012 5.677 4.385 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.074 4.986 2.302 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -2.861 4.405 4.884 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -1.916 3.708 2.800 1.00 0.00 C ATOM 1043 CZ PHE A 86 -2.312 3.421 4.093 1.00 0.00 C ATOM 0 H PHE A 86 -3.580 9.440 1.421 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.607 6.753 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.152 7.507 1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.542 8.082 3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.440 6.448 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.769 5.211 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.172 4.178 5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.484 2.935 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.190 2.422 4.484 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.214 6.858 3.303 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.172 6.785 4.392 1.00 0.00 C ATOM 1055 C ASP A 87 -7.820 5.408 4.447 1.00 0.00 C ATOM 1056 O ASP A 87 -8.765 5.142 3.704 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.247 7.849 4.207 1.00 0.00 C ATOM 1058 CG ASP A 87 -8.211 8.909 5.290 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -7.419 9.866 5.158 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -8.974 8.783 6.271 1.00 0.00 O ATOM 0 H ASP A 87 -6.429 6.246 2.516 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.643 6.960 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.119 8.324 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.227 7.373 4.203 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.337 4.531 5.324 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.931 3.206 5.424 1.00 0.00 C ATOM 1067 C ARG A 88 -9.059 3.176 6.450 1.00 0.00 C ATOM 1068 O ARG A 88 -9.536 2.106 6.830 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.901 2.130 5.757 1.00 0.00 C ATOM 1070 CG ARG A 88 -7.294 0.762 5.215 1.00 0.00 C ATOM 1071 CD ARG A 88 -7.645 0.849 3.736 1.00 0.00 C ATOM 1072 NE ARG A 88 -7.935 -0.453 3.136 1.00 0.00 N ATOM 1073 CZ ARG A 88 -8.923 -0.663 2.262 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -9.701 0.340 1.869 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -9.132 -1.876 1.771 1.00 0.00 N ATOM 0 H ARG A 88 -6.558 4.708 5.958 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.342 2.984 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.934 2.417 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.781 2.068 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.473 0.059 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.146 0.375 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.510 1.500 3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.818 1.313 3.199 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.350 -1.245 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.546 1.279 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.453 0.171 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.538 -2.653 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.887 -2.033 1.104 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.482 4.353 6.898 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.550 4.435 7.877 1.00 0.00 C ATOM 1091 C GLY A 89 -10.030 4.344 9.300 1.00 0.00 C ATOM 1092 O GLY A 89 -9.312 5.237 9.751 1.00 0.00 O ATOM 0 H GLY A 89 -9.104 5.252 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.088 5.374 7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.265 3.631 7.701 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.366 3.272 10.042 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.913 3.089 11.419 1.00 0.00 C ATOM 1098 C PRO A 90 -8.492 2.532 11.488 1.00 0.00 C ATOM 1099 O PRO A 90 -8.213 1.612 12.257 1.00 0.00 O ATOM 1100 CB PRO A 90 -10.914 2.076 12.005 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.864 1.732 10.897 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.208 2.153 9.613 1.00 0.00 C ATOM 0 HA PRO A 90 -9.881 4.033 11.963 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.399 1.186 12.366 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.446 2.503 12.855 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.077 0.663 10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.816 2.246 11.031 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.620 1.347 9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.939 2.458 8.864 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.596 3.091 10.678 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.209 2.645 10.650 1.00 0.00 C ATOM 1112 C TYR A 91 -5.278 3.720 11.199 1.00 0.00 C ATOM 1113 O TYR A 91 -5.375 4.891 10.831 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.795 2.283 9.222 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.091 0.848 8.846 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.300 0.254 9.187 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.161 0.089 8.146 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.573 -1.056 8.842 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.427 -1.222 7.797 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.634 -1.789 8.147 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.904 -3.094 7.802 1.00 0.00 O ATOM 0 H TYR A 91 -7.807 3.853 10.034 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.128 1.761 11.282 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.310 2.945 8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.727 2.466 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.038 0.825 9.730 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.215 0.531 7.870 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.517 -1.504 9.115 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.693 -1.799 7.253 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.497 -3.110 7.022 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.374 3.309 12.078 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.415 4.224 12.681 1.00 0.00 C ATOM 1133 C LYS A 92 -2.009 3.643 12.599 1.00 0.00 C ATOM 1134 O LYS A 92 -1.844 2.427 12.513 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.786 4.500 14.140 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.600 5.952 14.553 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.525 6.099 15.618 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.788 7.422 15.487 1.00 0.00 C ATOM 1139 NZ LYS A 92 -2.305 8.442 16.440 1.00 0.00 N ATOM 0 H LYS A 92 -4.285 2.342 12.391 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.440 5.165 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.826 4.216 14.301 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.178 3.867 14.786 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.332 6.547 13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.543 6.347 14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.979 6.031 16.607 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.815 5.276 15.536 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.724 7.264 15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.888 7.794 14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.777 9.330 16.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.314 8.612 16.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.186 8.098 17.414 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.001 4.519 12.620 1.00 0.00 N ATOM 1154 CA TYR A 93 0.404 4.103 12.546 1.00 0.00 C ATOM 1155 C TYR A 93 0.615 2.754 13.234 1.00 0.00 C ATOM 1156 O TYR A 93 0.789 2.686 14.451 1.00 0.00 O ATOM 1157 CB TYR A 93 1.293 5.166 13.194 1.00 0.00 C ATOM 1158 CG TYR A 93 2.677 5.261 12.593 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.860 5.252 11.215 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.800 5.369 13.404 1.00 0.00 C ATOM 1161 CE1 TYR A 93 4.124 5.348 10.663 1.00 0.00 C ATOM 1162 CE2 TYR A 93 5.066 5.463 12.860 1.00 0.00 C ATOM 1163 CZ TYR A 93 5.223 5.453 11.490 1.00 0.00 C ATOM 1164 OH TYR A 93 6.483 5.551 10.947 1.00 0.00 O ATOM 0 H TYR A 93 -1.133 5.528 12.688 1.00 0.00 H new ATOM 0 HA TYR A 93 0.675 3.994 11.496 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.803 6.136 13.108 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.384 4.949 14.258 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.001 5.169 10.565 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.681 5.380 14.477 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.250 5.341 9.590 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.929 5.544 13.504 1.00 0.00 H new ATOM 0 HH TYR A 93 7.145 5.619 11.666 1.00 0.00 H new ATOM 1174 N HIS A 94 0.571 1.681 12.448 1.00 0.00 N ATOM 1175 CA HIS A 94 0.730 0.333 12.982 1.00 0.00 C ATOM 1176 C HIS A 94 2.115 -0.234 12.687 1.00 0.00 C ATOM 1177 O HIS A 94 3.031 0.494 12.303 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.347 -0.589 12.403 1.00 0.00 C ATOM 1179 CG HIS A 94 -1.028 -1.434 13.433 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -2.271 -2.000 13.241 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -0.633 -1.811 14.673 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -2.611 -2.686 14.318 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -1.634 -2.588 15.200 1.00 0.00 N ATOM 0 H HIS A 94 0.426 1.720 11.439 1.00 0.00 H new ATOM 0 HA HIS A 94 0.619 0.390 14.065 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.094 0.016 11.890 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.106 -1.238 11.654 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.296 -1.549 15.157 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.532 -3.234 14.454 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.624 -3.020 16.124 1.00 0.00 H new ATOM 1192 N GLY A 95 2.258 -1.543 12.881 1.00 0.00 N ATOM 1193 CA GLY A 95 3.528 -2.201 12.646 1.00 0.00 C ATOM 1194 C GLY A 95 3.830 -2.411 11.174 1.00 0.00 C ATOM 1195 O GLY A 95 4.974 -2.667 10.810 1.00 0.00 O ATOM 0 H GLY A 95 1.511 -2.161 13.199 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.325 -1.607 13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.528 -3.167 13.152 1.00 0.00 H new ATOM 1199 N ARG A 96 2.807 -2.313 10.327 1.00 0.00 N ATOM 1200 CA ARG A 96 2.978 -2.496 8.884 1.00 0.00 C ATOM 1201 C ARG A 96 3.108 -1.161 8.126 1.00 0.00 C ATOM 1202 O ARG A 96 4.132 -0.881 7.505 1.00 0.00 O ATOM 1203 CB ARG A 96 1.811 -3.304 8.327 1.00 0.00 C ATOM 1204 CG ARG A 96 1.637 -4.659 8.997 1.00 0.00 C ATOM 1205 CD ARG A 96 2.411 -5.746 8.268 1.00 0.00 C ATOM 1206 NE ARG A 96 3.386 -6.399 9.138 1.00 0.00 N ATOM 1207 CZ ARG A 96 3.065 -7.283 10.080 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.798 -7.626 10.274 1.00 0.00 N ATOM 1209 NH2 ARG A 96 4.015 -7.826 10.830 1.00 0.00 N ATOM 0 H ARG A 96 1.850 -2.108 10.614 1.00 0.00 H new ATOM 0 HA ARG A 96 3.912 -3.037 8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.892 -2.729 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.960 -3.453 7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.977 -4.601 10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.579 -4.920 9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.715 -6.490 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.924 -5.312 7.409 1.00 0.00 H new ATOM 0 HE ARG A 96 4.371 -6.164 9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.064 -7.212 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.558 -8.304 10.997 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.991 -7.566 10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.770 -8.503 11.552 1.00 0.00 H new ATOM 1223 N VAL A 97 2.031 -0.372 8.156 1.00 0.00 N ATOM 1224 CA VAL A 97 1.937 0.921 7.459 1.00 0.00 C ATOM 1225 C VAL A 97 3.264 1.650 7.274 1.00 0.00 C ATOM 1226 O VAL A 97 3.735 1.766 6.159 1.00 0.00 O ATOM 1227 CB VAL A 97 0.963 1.870 8.179 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.659 3.092 7.322 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.311 1.133 8.525 1.00 0.00 C ATOM 0 H VAL A 97 1.185 -0.614 8.672 1.00 0.00 H new ATOM 0 HA VAL A 97 1.573 0.659 6.466 1.00 0.00 H new ATOM 0 HB VAL A 97 1.433 2.217 9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.032 3.747 7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.584 3.631 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.207 2.774 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.996 1.810 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.778 0.764 7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.079 0.292 9.179 1.00 0.00 H new ATOM 1239 N LYS A 98 3.854 2.173 8.345 1.00 0.00 N ATOM 1240 CA LYS A 98 5.108 2.917 8.227 1.00 0.00 C ATOM 1241 C LYS A 98 5.976 2.439 7.048 1.00 0.00 C ATOM 1242 O LYS A 98 6.324 3.211 6.157 1.00 0.00 O ATOM 1243 CB LYS A 98 5.872 2.995 9.564 1.00 0.00 C ATOM 1244 CG LYS A 98 6.769 1.822 9.907 1.00 0.00 C ATOM 1245 CD LYS A 98 6.043 0.808 10.763 1.00 0.00 C ATOM 1246 CE LYS A 98 5.179 -0.090 9.918 1.00 0.00 C ATOM 1247 NZ LYS A 98 5.984 -1.142 9.234 1.00 0.00 N ATOM 0 H LYS A 98 3.491 2.098 9.295 1.00 0.00 H new ATOM 0 HA LYS A 98 4.838 3.945 7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.482 3.898 9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.143 3.111 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.115 1.346 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.654 2.180 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.766 0.208 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.427 1.323 11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.421 -0.561 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.652 0.507 9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.609 -1.299 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.975 -0.834 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.930 -2.028 9.776 1.00 0.00 H new ATOM 1261 N ALA A 99 6.352 1.147 7.105 1.00 0.00 N ATOM 1262 CA ALA A 99 7.229 0.507 6.119 1.00 0.00 C ATOM 1263 C ALA A 99 6.577 0.320 4.767 1.00 0.00 C ATOM 1264 O ALA A 99 7.169 0.648 3.739 1.00 0.00 O ATOM 1265 CB ALA A 99 7.712 -0.839 6.643 1.00 0.00 C ATOM 0 H ALA A 99 6.049 0.516 7.847 1.00 0.00 H new ATOM 0 HA ALA A 99 8.072 1.183 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.362 -1.305 5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.265 -0.691 7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.855 -1.485 6.831 1.00 0.00 H new ATOM 1271 N LEU A 100 5.350 -0.189 4.747 1.00 0.00 N ATOM 1272 CA LEU A 100 4.642 -0.388 3.498 1.00 0.00 C ATOM 1273 C LEU A 100 4.451 0.949 2.808 1.00 0.00 C ATOM 1274 O LEU A 100 4.705 1.105 1.614 1.00 0.00 O ATOM 1275 CB LEU A 100 3.283 -1.037 3.768 1.00 0.00 C ATOM 1276 CG LEU A 100 2.237 -0.806 2.682 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.406 -2.058 2.466 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.346 0.383 3.027 1.00 0.00 C ATOM 0 H LEU A 100 4.831 -0.469 5.580 1.00 0.00 H new ATOM 0 HA LEU A 100 5.224 -1.046 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.427 -2.110 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.896 -0.656 4.713 1.00 0.00 H new ATOM 0 HG LEU A 100 2.758 -0.576 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.666 -1.873 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.056 -2.878 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.899 -2.323 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.609 0.527 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.834 0.193 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.957 1.281 3.120 1.00 0.00 H new ATOM 1290 N ALA A 101 3.992 1.901 3.592 1.00 0.00 N ATOM 1291 CA ALA A 101 3.738 3.243 3.121 1.00 0.00 C ATOM 1292 C ALA A 101 4.988 3.871 2.509 1.00 0.00 C ATOM 1293 O ALA A 101 4.892 4.519 1.469 1.00 0.00 O ATOM 1294 CB ALA A 101 3.171 4.085 4.249 1.00 0.00 C ATOM 0 H ALA A 101 3.784 1.763 4.581 1.00 0.00 H new ATOM 0 HA ALA A 101 2.997 3.199 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.981 5.096 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.238 3.644 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.886 4.121 5.071 1.00 0.00 H new ATOM 1300 N GLU A 102 6.174 3.662 3.107 1.00 0.00 N ATOM 1301 CA GLU A 102 7.383 4.220 2.499 1.00 0.00 C ATOM 1302 C GLU A 102 7.556 3.584 1.138 1.00 0.00 C ATOM 1303 O GLU A 102 7.900 4.251 0.180 1.00 0.00 O ATOM 1304 CB GLU A 102 8.672 4.035 3.323 1.00 0.00 C ATOM 1305 CG GLU A 102 8.506 3.290 4.636 1.00 0.00 C ATOM 1306 CD GLU A 102 9.827 2.811 5.206 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.834 2.826 4.467 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.857 2.424 6.393 1.00 0.00 O ATOM 0 H GLU A 102 6.315 3.136 3.969 1.00 0.00 H new ATOM 0 HA GLU A 102 7.237 5.299 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.400 3.501 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.092 5.018 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.017 3.942 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.849 2.434 4.483 1.00 0.00 H new ATOM 1315 N GLY A 103 7.258 2.289 1.051 1.00 0.00 N ATOM 1316 CA GLY A 103 7.337 1.603 -0.225 1.00 0.00 C ATOM 1317 C GLY A 103 6.581 2.365 -1.275 1.00 0.00 C ATOM 1318 O GLY A 103 7.124 2.782 -2.294 1.00 0.00 O ATOM 0 H GLY A 103 6.965 1.708 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.380 1.496 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.928 0.597 -0.131 1.00 0.00 H new ATOM 1322 N ALA A 104 5.294 2.530 -0.995 1.00 0.00 N ATOM 1323 CA ALA A 104 4.392 3.233 -1.877 1.00 0.00 C ATOM 1324 C ALA A 104 4.842 4.674 -2.065 1.00 0.00 C ATOM 1325 O ALA A 104 4.640 5.265 -3.121 1.00 0.00 O ATOM 1326 CB ALA A 104 2.980 3.172 -1.326 1.00 0.00 C ATOM 0 H ALA A 104 4.853 2.176 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 104 4.404 2.750 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.305 3.704 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.666 2.131 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.954 3.637 -0.340 1.00 0.00 H new ATOM 1332 N ARG A 105 5.472 5.236 -1.036 1.00 0.00 N ATOM 1333 CA ARG A 105 5.962 6.610 -1.098 1.00 0.00 C ATOM 1334 C ARG A 105 7.382 6.659 -1.658 1.00 0.00 C ATOM 1335 O ARG A 105 7.802 7.666 -2.227 1.00 0.00 O ATOM 1336 CB ARG A 105 5.900 7.262 0.291 1.00 0.00 C ATOM 1337 CG ARG A 105 6.686 8.561 0.419 1.00 0.00 C ATOM 1338 CD ARG A 105 5.886 9.747 -0.093 1.00 0.00 C ATOM 1339 NE ARG A 105 5.129 10.398 0.974 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.662 11.242 1.854 1.00 0.00 C ATOM 1341 NH1 ARG A 105 6.955 11.540 1.798 1.00 0.00 N ATOM 1342 NH2 ARG A 105 4.902 11.789 2.792 1.00 0.00 N ATOM 0 H ARG A 105 5.655 4.762 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 105 5.318 7.173 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.857 7.458 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.275 6.552 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.954 8.724 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.618 8.480 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.562 10.469 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.201 9.413 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 105 4.133 10.193 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.544 11.121 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.359 12.188 2.475 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.908 11.563 2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.311 12.436 3.466 1.00 0.00 H new ATOM 1356 N GLU A 106 8.111 5.563 -1.500 1.00 0.00 N ATOM 1357 CA GLU A 106 9.472 5.470 -1.992 1.00 0.00 C ATOM 1358 C GLU A 106 9.432 5.107 -3.470 1.00 0.00 C ATOM 1359 O GLU A 106 10.218 5.605 -4.275 1.00 0.00 O ATOM 1360 CB GLU A 106 10.251 4.409 -1.191 1.00 0.00 C ATOM 1361 CG GLU A 106 10.210 3.011 -1.790 1.00 0.00 C ATOM 1362 CD GLU A 106 11.222 2.076 -1.158 1.00 0.00 C ATOM 1363 OE1 GLU A 106 12.044 2.551 -0.346 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.194 0.869 -1.476 1.00 0.00 O ATOM 0 H GLU A 106 7.776 4.722 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 106 9.981 6.426 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.291 4.725 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.849 4.369 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.210 2.596 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.398 3.073 -2.862 1.00 0.00 H new ATOM 1371 N GLY A 107 8.487 4.232 -3.807 1.00 0.00 N ATOM 1372 CA GLY A 107 8.320 3.800 -5.176 1.00 0.00 C ATOM 1373 C GLY A 107 7.905 4.951 -6.081 1.00 0.00 C ATOM 1374 O GLY A 107 8.480 5.131 -7.154 1.00 0.00 O ATOM 0 H GLY A 107 7.831 3.814 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.254 3.370 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.568 3.012 -5.220 1.00 0.00 H new ATOM 1378 N GLY A 108 6.921 5.751 -5.645 1.00 0.00 N ATOM 1379 CA GLY A 108 6.489 6.886 -6.451 1.00 0.00 C ATOM 1380 C GLY A 108 5.312 7.664 -5.871 1.00 0.00 C ATOM 1381 O GLY A 108 5.187 8.866 -6.108 1.00 0.00 O ATOM 0 H GLY A 108 6.425 5.633 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.331 7.567 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.217 6.528 -7.444 1.00 0.00 H new ATOM 1385 N LEU A 109 4.432 6.984 -5.143 1.00 0.00 N ATOM 1386 CA LEU A 109 3.248 7.618 -4.571 1.00 0.00 C ATOM 1387 C LEU A 109 3.569 8.552 -3.417 1.00 0.00 C ATOM 1388 O LEU A 109 4.480 8.315 -2.635 1.00 0.00 O ATOM 1389 CB LEU A 109 2.268 6.552 -4.088 1.00 0.00 C ATOM 1390 CG LEU A 109 1.580 5.788 -5.203 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.607 5.143 -6.111 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.620 4.752 -4.640 1.00 0.00 C ATOM 0 H LEU A 109 4.517 5.989 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 109 2.806 8.219 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.802 5.844 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.509 7.027 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 109 0.996 6.493 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.098 4.598 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.242 5.914 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.221 4.452 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.139 4.218 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.171 4.045 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.139 5.249 -4.037 1.00 0.00 H new ATOM 1404 N GLU A 110 2.779 9.607 -3.315 1.00 0.00 N ATOM 1405 CA GLU A 110 2.924 10.584 -2.246 1.00 0.00 C ATOM 1406 C GLU A 110 1.586 10.805 -1.553 1.00 0.00 C ATOM 1407 O GLU A 110 0.724 11.526 -2.054 1.00 0.00 O ATOM 1408 CB GLU A 110 3.483 11.898 -2.781 1.00 0.00 C ATOM 1409 CG GLU A 110 5.001 11.960 -2.736 1.00 0.00 C ATOM 1410 CD GLU A 110 5.628 11.942 -4.116 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.291 11.038 -4.909 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.455 12.832 -4.404 1.00 0.00 O ATOM 0 H GLU A 110 2.022 9.811 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 110 3.633 10.195 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.150 12.036 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.074 12.724 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.308 12.866 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.378 11.116 -2.159 1.00 0.00 H new ATOM 1419 N PHE A 111 1.409 10.160 -0.411 1.00 0.00 N ATOM 1420 CA PHE A 111 0.165 10.262 0.340 1.00 0.00 C ATOM 1421 C PHE A 111 0.436 10.554 1.813 1.00 0.00 C ATOM 1422 O PHE A 111 -0.468 11.096 2.484 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.620 8.959 0.195 1.00 0.00 C ATOM 1424 CG PHE A 111 0.252 7.742 0.296 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.066 7.370 -0.763 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.282 6.987 1.457 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.893 6.271 -0.664 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.103 5.882 1.559 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.911 5.526 0.499 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.549 10.238 2.283 1.00 0.00 O ATOM 0 H PHE A 111 2.112 9.558 0.018 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.421 11.089 -0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.389 8.915 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.133 8.954 -0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.052 7.947 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.344 7.266 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.525 5.993 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.113 5.297 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.558 4.665 0.579 1.00 0.00 H new