USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 57 HIS : no HD1:sc= -7.34! C(o=-7.1!,f=-12!) USER MOD Set 1.2: A 74 SER OG : rot -176:sc= 0.0276 USER MOD Set 1.3: A 78 THR OG1 : rot 56:sc= 0.234 USER MOD Single : A 10 THR OG1 : rot 26:sc= -0.651 USER MOD Single : A 12 SER OG : rot -86:sc= 1.3 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.084) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 54:sc= 1.11 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.8) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.677 F(o=-1.8!,f=-0.68) USER MOD Single : A 81 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.6!) USER MOD Single : A 82 SER OG : rot 37:sc= 0.0335 USER MOD Single : A 83 ASN : amide:sc=-0.00189 X(o=-0.0019,f=0) USER MOD Single : A 89 THR OG1 : rot -27:sc= 0.326 USER MOD Single : A 90 SER OG : rot 19:sc= 0.294 USER MOD Single : A 92 ASN : amide:sc= -1.08! C(o=-1.1!,f=-5.9!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 103:sc= -0.385 USER MOD Single : A 106 SER OG : rot 180:sc= -2.04 USER MOD Single : A 110 ASN :FLIP amide:sc= -1.36 F(o=-4.1!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.334 -10.684 -3.041 1.00 0.00 N ATOM 100 CA THR A 10 -10.149 -9.916 -2.697 1.00 0.00 C ATOM 101 C THR A 10 -10.544 -8.542 -2.152 1.00 0.00 C ATOM 102 O THR A 10 -11.178 -7.752 -2.850 1.00 0.00 O ATOM 103 CB THR A 10 -9.256 -9.844 -3.937 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.000 -11.208 -4.261 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.872 -9.267 -3.630 1.00 0.00 C ATOM 0 HA THR A 10 -9.583 -10.397 -1.899 1.00 0.00 H new ATOM 0 HB THR A 10 -9.742 -9.234 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.733 -11.767 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.279 -9.238 -4.544 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.978 -8.257 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.372 -9.895 -2.893 1.00 0.00 H new ATOM 113 N PRO A 11 -10.142 -8.292 -0.877 1.00 0.00 N ATOM 114 CA PRO A 11 -10.447 -7.028 -0.230 1.00 0.00 C ATOM 115 C PRO A 11 -9.554 -5.907 -0.767 1.00 0.00 C ATOM 116 O PRO A 11 -8.463 -6.167 -1.274 1.00 0.00 O ATOM 117 CB PRO A 11 -10.247 -7.286 1.254 1.00 0.00 C ATOM 118 CG PRO A 11 -9.394 -8.541 1.347 1.00 0.00 C ATOM 119 CD PRO A 11 -9.390 -9.204 -0.020 1.00 0.00 C ATOM 0 HA PRO A 11 -11.464 -6.690 -0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.753 -6.441 1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.203 -7.425 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.378 -8.290 1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.795 -9.220 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.374 -9.346 -0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.856 -10.189 0.016 1.00 0.00 H new ATOM 127 N SER A 12 -10.050 -4.686 -0.639 1.00 0.00 N ATOM 128 CA SER A 12 -9.311 -3.525 -1.106 1.00 0.00 C ATOM 129 C SER A 12 -8.132 -3.245 -0.171 1.00 0.00 C ATOM 130 O SER A 12 -8.229 -3.457 1.037 1.00 0.00 O ATOM 131 CB SER A 12 -10.217 -2.296 -1.199 1.00 0.00 C ATOM 132 OG SER A 12 -10.817 -2.171 -2.485 1.00 0.00 O ATOM 0 H SER A 12 -10.955 -4.475 -0.219 1.00 0.00 H new ATOM 0 HA SER A 12 -8.932 -3.740 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.997 -2.362 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.636 -1.400 -0.982 1.00 0.00 H new ATOM 0 HG SER A 12 -10.211 -1.685 -3.083 1.00 0.00 H new ATOM 138 N LEU A 13 -7.045 -2.775 -0.766 1.00 0.00 N ATOM 139 CA LEU A 13 -5.849 -2.464 -0.002 1.00 0.00 C ATOM 140 C LEU A 13 -5.885 -0.993 0.417 1.00 0.00 C ATOM 141 O LEU A 13 -5.756 -0.102 -0.421 1.00 0.00 O ATOM 142 CB LEU A 13 -4.595 -2.849 -0.790 1.00 0.00 C ATOM 143 CG LEU A 13 -3.327 -3.075 0.036 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.382 -1.877 -0.072 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.671 -3.404 1.490 1.00 0.00 C ATOM 0 H LEU A 13 -6.968 -2.602 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.816 -3.056 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.807 -3.760 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.394 -2.065 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.802 -3.938 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.489 -2.063 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.099 -1.730 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.884 -0.983 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.752 -3.560 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.230 -2.577 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.276 -4.310 1.525 1.00 0.00 H new ATOM 157 N ARG A 14 -6.060 -0.785 1.714 1.00 0.00 N ATOM 158 CA ARG A 14 -6.114 0.563 2.255 1.00 0.00 C ATOM 159 C ARG A 14 -4.835 0.873 3.035 1.00 0.00 C ATOM 160 O ARG A 14 -4.589 0.287 4.088 1.00 0.00 O ATOM 161 CB ARG A 14 -7.322 0.738 3.177 1.00 0.00 C ATOM 162 CG ARG A 14 -7.128 1.933 4.113 1.00 0.00 C ATOM 163 CD ARG A 14 -8.450 2.336 4.769 1.00 0.00 C ATOM 164 NE ARG A 14 -9.079 1.157 5.406 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.336 1.135 5.869 1.00 0.00 C ATOM 166 NH1 ARG A 14 -11.107 2.226 5.768 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.823 0.020 6.432 1.00 0.00 N ATOM 0 H ARG A 14 -6.166 -1.527 2.406 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.208 1.254 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.222 0.882 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.470 -0.168 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.398 1.682 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.724 2.776 3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.274 3.112 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.122 2.758 4.022 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.521 0.308 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.737 3.074 5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.064 2.209 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.237 -0.811 6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.780 0.003 6.785 1.00 0.00 H new ATOM 181 N LEU A 15 -4.056 1.795 2.490 1.00 0.00 N ATOM 182 CA LEU A 15 -2.809 2.190 3.122 1.00 0.00 C ATOM 183 C LEU A 15 -3.063 3.392 4.035 1.00 0.00 C ATOM 184 O LEU A 15 -3.289 4.502 3.556 1.00 0.00 O ATOM 185 CB LEU A 15 -1.728 2.437 2.067 1.00 0.00 C ATOM 186 CG LEU A 15 -1.244 1.204 1.302 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.427 1.607 0.073 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.468 0.258 2.221 1.00 0.00 C ATOM 0 H LEU A 15 -4.264 2.280 1.617 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.430 1.385 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.110 3.160 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.869 2.897 2.556 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.118 0.660 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.095 0.712 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.044 2.211 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.441 2.186 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.135 -0.610 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.398 0.778 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.114 -0.068 3.036 1.00 0.00 H new ATOM 200 N VAL A 16 -3.017 3.129 5.332 1.00 0.00 N ATOM 201 CA VAL A 16 -3.240 4.174 6.316 1.00 0.00 C ATOM 202 C VAL A 16 -1.894 4.625 6.888 1.00 0.00 C ATOM 203 O VAL A 16 -1.123 3.808 7.388 1.00 0.00 O ATOM 204 CB VAL A 16 -4.212 3.684 7.391 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.428 4.752 8.464 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.542 3.252 6.771 1.00 0.00 C ATOM 0 H VAL A 16 -2.828 2.207 5.725 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.704 5.043 5.850 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.768 2.813 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.123 4.377 9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.475 4.990 8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.840 5.651 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.215 2.908 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.993 4.097 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.367 2.442 6.063 1.00 0.00 H new ATOM 216 N PHE A 17 -1.654 5.925 6.796 1.00 0.00 N ATOM 217 CA PHE A 17 -0.415 6.495 7.298 1.00 0.00 C ATOM 218 C PHE A 17 -0.503 6.760 8.802 1.00 0.00 C ATOM 219 O PHE A 17 -0.914 7.841 9.222 1.00 0.00 O ATOM 220 CB PHE A 17 -0.206 7.823 6.569 1.00 0.00 C ATOM 221 CG PHE A 17 0.157 7.672 5.090 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.451 7.471 4.724 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.816 7.737 4.142 1.00 0.00 C ATOM 224 CE1 PHE A 17 1.787 7.330 3.352 1.00 0.00 C ATOM 225 CE2 PHE A 17 -0.480 7.596 2.769 1.00 0.00 C ATOM 226 CZ PHE A 17 0.815 7.396 2.403 1.00 0.00 C ATOM 0 H PHE A 17 -2.297 6.600 6.381 1.00 0.00 H new ATOM 0 HA PHE A 17 0.409 5.803 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.116 8.417 6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.584 8.381 7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.223 7.419 5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.844 7.896 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.815 7.170 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.252 7.648 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.071 7.290 1.359 1.00 0.00 H new ATOM 236 N VAL A 18 -0.111 5.756 9.572 1.00 0.00 N ATOM 237 CA VAL A 18 -0.141 5.867 11.020 1.00 0.00 C ATOM 238 C VAL A 18 1.004 6.771 11.482 1.00 0.00 C ATOM 239 O VAL A 18 0.910 7.413 12.527 1.00 0.00 O ATOM 240 CB VAL A 18 -0.095 4.475 11.653 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.400 3.716 11.403 1.00 0.00 C ATOM 242 CG2 VAL A 18 1.108 3.680 11.143 1.00 0.00 C ATOM 0 H VAL A 18 0.229 4.861 9.220 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.073 6.328 11.348 1.00 0.00 H new ATOM 0 HB VAL A 18 0.019 4.600 12.730 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.341 2.730 11.863 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.232 4.270 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.558 3.607 10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.117 2.695 11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.039 3.569 10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.027 4.209 11.395 1.00 0.00 H new ATOM 252 N LYS A 19 2.058 6.794 10.680 1.00 0.00 N ATOM 253 CA LYS A 19 3.219 7.609 10.992 1.00 0.00 C ATOM 254 C LYS A 19 3.723 8.283 9.715 1.00 0.00 C ATOM 255 O LYS A 19 3.092 8.180 8.664 1.00 0.00 O ATOM 256 CB LYS A 19 4.283 6.774 11.708 1.00 0.00 C ATOM 257 CG LYS A 19 3.784 6.305 13.076 1.00 0.00 C ATOM 258 CD LYS A 19 4.872 6.464 14.140 1.00 0.00 C ATOM 259 CE LYS A 19 4.347 6.076 15.523 1.00 0.00 C ATOM 260 NZ LYS A 19 5.168 6.701 16.584 1.00 0.00 N ATOM 0 H LYS A 19 2.132 6.261 9.814 1.00 0.00 H new ATOM 0 HA LYS A 19 2.950 8.404 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.544 5.910 11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.191 7.364 11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.903 6.880 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.478 5.261 13.017 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.729 5.841 13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.222 7.496 14.156 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.309 6.391 15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.364 4.992 15.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.798 6.427 17.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.153 6.380 16.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.131 7.736 16.487 1.00 0.00 H new ATOM 274 N GLY A 20 4.855 8.958 9.847 1.00 0.00 N ATOM 275 CA GLY A 20 5.451 9.649 8.716 1.00 0.00 C ATOM 276 C GLY A 20 4.888 11.065 8.580 1.00 0.00 C ATOM 277 O GLY A 20 4.170 11.539 9.460 1.00 0.00 O ATOM 0 H GLY A 20 5.376 9.041 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.533 9.694 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.260 9.088 7.801 1.00 0.00 H new ATOM 281 N PRO A 21 5.244 11.718 7.442 1.00 0.00 N ATOM 282 CA PRO A 21 4.782 13.071 7.179 1.00 0.00 C ATOM 283 C PRO A 21 3.310 13.077 6.763 1.00 0.00 C ATOM 284 O PRO A 21 2.622 14.085 6.914 1.00 0.00 O ATOM 285 CB PRO A 21 5.707 13.599 6.095 1.00 0.00 C ATOM 286 CG PRO A 21 6.352 12.376 5.464 1.00 0.00 C ATOM 287 CD PRO A 21 6.092 11.189 6.378 1.00 0.00 C ATOM 0 HA PRO A 21 4.821 13.708 8.063 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.152 14.174 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.461 14.265 6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.936 12.193 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.423 12.532 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.597 10.379 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.023 10.786 6.777 1.00 0.00 H new ATOM 295 N ARG A 22 2.869 11.938 6.248 1.00 0.00 N ATOM 296 CA ARG A 22 1.491 11.799 5.810 1.00 0.00 C ATOM 297 C ARG A 22 0.630 11.224 6.937 1.00 0.00 C ATOM 298 O ARG A 22 -0.544 10.919 6.733 1.00 0.00 O ATOM 299 CB ARG A 22 1.392 10.886 4.586 1.00 0.00 C ATOM 300 CG ARG A 22 0.828 11.643 3.381 1.00 0.00 C ATOM 301 CD ARG A 22 1.251 10.979 2.070 1.00 0.00 C ATOM 302 NE ARG A 22 0.217 11.201 1.034 1.00 0.00 N ATOM 303 CZ ARG A 22 0.318 10.771 -0.231 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.405 10.095 -0.625 1.00 0.00 N ATOM 305 NH2 ARG A 22 -0.670 11.018 -1.103 1.00 0.00 N ATOM 0 H ARG A 22 3.442 11.103 6.125 1.00 0.00 H new ATOM 0 HA ARG A 22 1.128 12.791 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.378 10.490 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.754 10.033 4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.260 11.674 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.178 12.675 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.205 11.388 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.399 9.910 2.225 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.624 11.713 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.157 9.907 0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.481 9.768 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.498 11.533 -0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.594 10.691 -2.066 1.00 0.00 H new ATOM 319 N GLU A 23 1.248 11.095 8.102 1.00 0.00 N ATOM 320 CA GLU A 23 0.553 10.562 9.262 1.00 0.00 C ATOM 321 C GLU A 23 -0.854 11.155 9.356 1.00 0.00 C ATOM 322 O GLU A 23 -1.012 12.363 9.530 1.00 0.00 O ATOM 323 CB GLU A 23 1.346 10.824 10.544 1.00 0.00 C ATOM 324 CG GLU A 23 0.556 10.380 11.777 1.00 0.00 C ATOM 325 CD GLU A 23 0.339 11.550 12.739 1.00 0.00 C ATOM 326 OE1 GLU A 23 -0.324 12.520 12.314 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.842 11.448 13.879 1.00 0.00 O ATOM 0 H GLU A 23 2.222 11.350 8.268 1.00 0.00 H new ATOM 0 HA GLU A 23 0.464 9.482 9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.295 10.290 10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.580 11.886 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.408 9.974 11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.091 9.579 12.287 1.00 0.00 H new ATOM 334 N GLY A 24 -1.841 10.278 9.239 1.00 0.00 N ATOM 335 CA GLY A 24 -3.229 10.700 9.309 1.00 0.00 C ATOM 336 C GLY A 24 -3.921 10.535 7.954 1.00 0.00 C ATOM 337 O GLY A 24 -5.127 10.753 7.838 1.00 0.00 O ATOM 0 H GLY A 24 -1.706 9.277 9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.754 10.113 10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.281 11.742 9.623 1.00 0.00 H new ATOM 341 N ASP A 25 -3.129 10.151 6.964 1.00 0.00 N ATOM 342 CA ASP A 25 -3.651 9.954 5.622 1.00 0.00 C ATOM 343 C ASP A 25 -3.995 8.477 5.425 1.00 0.00 C ATOM 344 O ASP A 25 -3.471 7.615 6.129 1.00 0.00 O ATOM 345 CB ASP A 25 -2.615 10.343 4.566 1.00 0.00 C ATOM 346 CG ASP A 25 -2.590 11.829 4.200 1.00 0.00 C ATOM 347 OD1 ASP A 25 -2.223 12.626 5.091 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.938 12.134 3.039 1.00 0.00 O ATOM 0 H ASP A 25 -2.130 9.971 7.064 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.535 10.581 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.627 10.056 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.805 9.765 3.662 1.00 0.00 H new ATOM 353 N ALA A 26 -4.874 8.230 4.465 1.00 0.00 N ATOM 354 CA ALA A 26 -5.295 6.871 4.167 1.00 0.00 C ATOM 355 C ALA A 26 -5.809 6.806 2.727 1.00 0.00 C ATOM 356 O ALA A 26 -6.577 7.666 2.299 1.00 0.00 O ATOM 357 CB ALA A 26 -6.348 6.428 5.183 1.00 0.00 C ATOM 0 H ALA A 26 -5.306 8.948 3.883 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.454 6.182 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.663 5.409 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.924 6.464 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.209 7.094 5.129 1.00 0.00 H new ATOM 363 N LEU A 27 -5.367 5.776 2.021 1.00 0.00 N ATOM 364 CA LEU A 27 -5.773 5.587 0.638 1.00 0.00 C ATOM 365 C LEU A 27 -6.482 4.239 0.500 1.00 0.00 C ATOM 366 O LEU A 27 -6.484 3.436 1.432 1.00 0.00 O ATOM 367 CB LEU A 27 -4.575 5.751 -0.299 1.00 0.00 C ATOM 368 CG LEU A 27 -3.795 7.061 -0.168 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.293 6.823 -0.330 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.318 8.111 -1.151 1.00 0.00 C ATOM 0 H LEU A 27 -4.732 5.063 2.380 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.487 6.355 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.888 4.923 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.928 5.663 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.952 7.453 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.762 7.770 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.949 6.133 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.096 6.396 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.747 9.032 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.210 7.741 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.370 8.309 -0.946 1.00 0.00 H new ATOM 382 N ASP A 28 -7.067 4.031 -0.671 1.00 0.00 N ATOM 383 CA ASP A 28 -7.778 2.794 -0.943 1.00 0.00 C ATOM 384 C ASP A 28 -7.635 2.444 -2.426 1.00 0.00 C ATOM 385 O ASP A 28 -7.675 3.327 -3.282 1.00 0.00 O ATOM 386 CB ASP A 28 -9.269 2.935 -0.632 1.00 0.00 C ATOM 387 CG ASP A 28 -10.027 3.916 -1.530 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.467 5.005 -1.779 1.00 0.00 O ATOM 389 OD2 ASP A 28 -11.149 3.554 -1.946 1.00 0.00 O ATOM 0 H ASP A 28 -7.063 4.699 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.351 2.014 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.737 1.954 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.380 3.254 0.404 1.00 0.00 H new ATOM 394 N TYR A 29 -7.472 1.155 -2.685 1.00 0.00 N ATOM 395 CA TYR A 29 -7.323 0.679 -4.049 1.00 0.00 C ATOM 396 C TYR A 29 -8.118 -0.610 -4.270 1.00 0.00 C ATOM 397 O TYR A 29 -8.572 -1.235 -3.312 1.00 0.00 O ATOM 398 CB TYR A 29 -5.833 0.382 -4.232 1.00 0.00 C ATOM 399 CG TYR A 29 -4.942 1.625 -4.189 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.476 2.099 -2.979 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.603 2.272 -5.360 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.637 3.268 -2.939 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.763 3.441 -5.320 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.322 3.882 -4.111 1.00 0.00 C ATOM 405 OH TYR A 29 -2.529 4.986 -4.073 1.00 0.00 O ATOM 0 H TYR A 29 -7.440 0.426 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.692 1.422 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.512 -0.310 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.688 -0.124 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.741 1.593 -2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.968 1.901 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.266 3.649 -1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.489 3.956 -6.229 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.387 5.318 -4.984 1.00 0.00 H new ATOM 415 N LYS A 30 -8.262 -0.969 -5.537 1.00 0.00 N ATOM 416 CA LYS A 30 -8.995 -2.171 -5.895 1.00 0.00 C ATOM 417 C LYS A 30 -8.046 -3.371 -5.859 1.00 0.00 C ATOM 418 O LYS A 30 -6.827 -3.204 -5.868 1.00 0.00 O ATOM 419 CB LYS A 30 -9.703 -1.987 -7.239 1.00 0.00 C ATOM 420 CG LYS A 30 -11.102 -1.400 -7.046 1.00 0.00 C ATOM 421 CD LYS A 30 -11.734 -1.034 -8.390 1.00 0.00 C ATOM 422 CE LYS A 30 -12.441 0.320 -8.313 1.00 0.00 C ATOM 423 NZ LYS A 30 -12.192 1.107 -9.542 1.00 0.00 N ATOM 0 H LYS A 30 -7.883 -0.449 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.785 -2.366 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.114 -1.329 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.775 -2.947 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.734 -2.121 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.044 -0.514 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.964 -1.003 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.447 -1.805 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.513 0.170 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.087 0.872 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.679 2.023 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.170 1.266 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.551 0.586 -10.367 1.00 0.00 H new ATOM 437 N PRO A 31 -8.656 -4.586 -5.818 1.00 0.00 N ATOM 438 CA PRO A 31 -7.879 -5.813 -5.781 1.00 0.00 C ATOM 439 C PRO A 31 -7.277 -6.123 -7.153 1.00 0.00 C ATOM 440 O PRO A 31 -7.998 -6.207 -8.147 1.00 0.00 O ATOM 441 CB PRO A 31 -8.851 -6.880 -5.304 1.00 0.00 C ATOM 442 CG PRO A 31 -10.241 -6.311 -5.537 1.00 0.00 C ATOM 443 CD PRO A 31 -10.097 -4.822 -5.806 1.00 0.00 C ATOM 0 HA PRO A 31 -7.021 -5.747 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.712 -7.810 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.694 -7.108 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.720 -6.807 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.874 -6.482 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.552 -4.546 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.589 -4.231 -5.034 1.00 0.00 H new ATOM 451 N GLY A 32 -5.962 -6.284 -7.165 1.00 0.00 N ATOM 452 CA GLY A 32 -5.256 -6.583 -8.399 1.00 0.00 C ATOM 453 C GLY A 32 -4.572 -5.332 -8.956 1.00 0.00 C ATOM 454 O GLY A 32 -4.107 -5.330 -10.095 1.00 0.00 O ATOM 0 H GLY A 32 -5.367 -6.213 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.512 -7.359 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.955 -6.978 -9.136 1.00 0.00 H new ATOM 458 N SER A 33 -4.532 -4.300 -8.126 1.00 0.00 N ATOM 459 CA SER A 33 -3.913 -3.046 -8.521 1.00 0.00 C ATOM 460 C SER A 33 -2.617 -2.832 -7.736 1.00 0.00 C ATOM 461 O SER A 33 -2.635 -2.771 -6.508 1.00 0.00 O ATOM 462 CB SER A 33 -4.865 -1.869 -8.305 1.00 0.00 C ATOM 463 OG SER A 33 -5.627 -1.577 -9.473 1.00 0.00 O ATOM 0 H SER A 33 -4.918 -4.307 -7.182 1.00 0.00 H new ATOM 0 HA SER A 33 -3.681 -3.100 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.540 -2.095 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.292 -0.988 -8.016 1.00 0.00 H new ATOM 0 HG SER A 33 -6.224 -0.821 -9.294 1.00 0.00 H new ATOM 469 N THR A 34 -1.524 -2.723 -8.477 1.00 0.00 N ATOM 470 CA THR A 34 -0.223 -2.517 -7.865 1.00 0.00 C ATOM 471 C THR A 34 -0.089 -1.076 -7.369 1.00 0.00 C ATOM 472 O THR A 34 -0.405 -0.134 -8.094 1.00 0.00 O ATOM 473 CB THR A 34 0.847 -2.910 -8.886 1.00 0.00 C ATOM 474 OG1 THR A 34 0.709 -4.323 -9.008 1.00 0.00 O ATOM 475 CG2 THR A 34 2.267 -2.719 -8.350 1.00 0.00 C ATOM 0 H THR A 34 -1.513 -2.774 -9.496 1.00 0.00 H new ATOM 0 HA THR A 34 -0.097 -3.144 -6.982 1.00 0.00 H new ATOM 0 HB THR A 34 0.719 -2.317 -9.792 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.365 -4.661 -9.653 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.987 -3.013 -9.114 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.420 -1.671 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.407 -3.337 -7.463 1.00 0.00 H new ATOM 483 N ILE A 35 0.380 -0.950 -6.136 1.00 0.00 N ATOM 484 CA ILE A 35 0.559 0.360 -5.534 1.00 0.00 C ATOM 485 C ILE A 35 2.045 0.584 -5.244 1.00 0.00 C ATOM 486 O ILE A 35 2.554 0.141 -4.216 1.00 0.00 O ATOM 487 CB ILE A 35 -0.337 0.511 -4.303 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.802 0.249 -4.656 1.00 0.00 C ATOM 489 CG2 ILE A 35 -0.141 1.879 -3.647 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.301 -1.042 -4.005 1.00 0.00 C ATOM 0 H ILE A 35 0.641 -1.734 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 35 0.247 1.143 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.043 -0.242 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.415 1.088 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.912 0.181 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.789 1.960 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.899 1.989 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.392 2.664 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.345 -1.204 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.702 -1.882 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.212 -0.961 -2.922 1.00 0.00 H new ATOM 502 N ARG A 36 2.698 1.272 -6.169 1.00 0.00 N ATOM 503 CA ARG A 36 4.115 1.560 -6.026 1.00 0.00 C ATOM 504 C ARG A 36 4.326 2.705 -5.033 1.00 0.00 C ATOM 505 O ARG A 36 3.815 3.806 -5.232 1.00 0.00 O ATOM 506 CB ARG A 36 4.739 1.939 -7.371 1.00 0.00 C ATOM 507 CG ARG A 36 4.444 0.876 -8.431 1.00 0.00 C ATOM 508 CD ARG A 36 5.739 0.252 -8.955 1.00 0.00 C ATOM 509 NE ARG A 36 5.786 0.347 -10.431 1.00 0.00 N ATOM 510 CZ ARG A 36 6.739 -0.210 -11.190 1.00 0.00 C ATOM 511 NH1 ARG A 36 7.731 -0.905 -10.617 1.00 0.00 N ATOM 512 NH2 ARG A 36 6.701 -0.071 -12.523 1.00 0.00 N ATOM 0 H ARG A 36 2.272 1.638 -7.020 1.00 0.00 H new ATOM 0 HA ARG A 36 4.601 0.658 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.349 2.903 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.817 2.054 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.808 0.100 -8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.891 1.324 -9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.599 0.762 -8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.800 -0.792 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 36 5.046 0.870 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.761 -1.010 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.457 -1.329 -11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.946 0.459 -12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.427 -0.495 -13.101 1.00 0.00 H new ATOM 526 N VAL A 37 5.079 2.405 -3.985 1.00 0.00 N ATOM 527 CA VAL A 37 5.364 3.395 -2.960 1.00 0.00 C ATOM 528 C VAL A 37 6.838 3.797 -3.041 1.00 0.00 C ATOM 529 O VAL A 37 7.723 2.953 -2.909 1.00 0.00 O ATOM 530 CB VAL A 37 4.966 2.855 -1.585 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.108 3.934 -0.510 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.545 2.288 -1.609 1.00 0.00 C ATOM 0 H VAL A 37 5.501 1.490 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 37 4.772 4.295 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 37 5.647 2.042 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.819 3.524 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.144 4.270 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.463 4.778 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.287 1.911 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.844 3.074 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.490 1.475 -2.333 1.00 0.00 H new ATOM 542 N GLY A 38 7.056 5.086 -3.257 1.00 0.00 N ATOM 543 CA GLY A 38 8.408 5.610 -3.357 1.00 0.00 C ATOM 544 C GLY A 38 8.517 6.977 -2.679 1.00 0.00 C ATOM 545 O GLY A 38 7.800 7.257 -1.720 1.00 0.00 O ATOM 0 H GLY A 38 6.319 5.783 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.107 4.914 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.692 5.696 -4.406 1.00 0.00 H new ATOM 549 N ARG A 39 9.421 7.791 -3.204 1.00 0.00 N ATOM 550 CA ARG A 39 9.634 9.122 -2.661 1.00 0.00 C ATOM 551 C ARG A 39 8.954 10.171 -3.544 1.00 0.00 C ATOM 552 O ARG A 39 8.312 11.090 -3.040 1.00 0.00 O ATOM 553 CB ARG A 39 11.126 9.443 -2.558 1.00 0.00 C ATOM 554 CG ARG A 39 11.349 10.929 -2.270 1.00 0.00 C ATOM 555 CD ARG A 39 12.754 11.175 -1.717 1.00 0.00 C ATOM 556 NE ARG A 39 13.478 12.134 -2.582 1.00 0.00 N ATOM 557 CZ ARG A 39 14.812 12.255 -2.617 1.00 0.00 C ATOM 558 NH1 ARG A 39 15.576 11.480 -1.835 1.00 0.00 N ATOM 559 NH2 ARG A 39 15.382 13.152 -3.432 1.00 0.00 N ATOM 0 H ARG A 39 10.014 7.555 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 39 9.199 9.145 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.577 8.844 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.625 9.170 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.208 11.506 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.606 11.280 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.691 11.565 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.303 10.235 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 39 12.927 12.741 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.142 10.798 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.591 11.572 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.801 13.743 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.397 13.244 -3.459 1.00 0.00 H new ATOM 573 N ILE A 40 9.119 9.997 -4.847 1.00 0.00 N ATOM 574 CA ILE A 40 8.529 10.917 -5.805 1.00 0.00 C ATOM 575 C ILE A 40 7.132 10.423 -6.187 1.00 0.00 C ATOM 576 O ILE A 40 6.901 9.219 -6.285 1.00 0.00 O ATOM 577 CB ILE A 40 9.461 11.113 -7.003 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.800 9.772 -7.658 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.717 11.888 -6.601 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.300 9.973 -9.090 1.00 0.00 C ATOM 0 H ILE A 40 9.653 9.233 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 40 8.407 11.904 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 40 8.938 11.713 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.562 9.259 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.917 9.132 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.362 12.013 -7.471 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.433 12.867 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.253 11.337 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.534 9.005 -9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.526 10.464 -9.680 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.196 10.593 -9.079 1.00 0.00 H new ATOM 653 N GLU A 45 2.523 5.328 -7.585 1.00 0.00 N ATOM 654 CA GLU A 45 1.235 5.779 -7.087 1.00 0.00 C ATOM 655 C GLU A 45 1.421 6.633 -5.832 1.00 0.00 C ATOM 656 O GLU A 45 1.124 7.827 -5.840 1.00 0.00 O ATOM 657 CB GLU A 45 0.308 4.593 -6.811 1.00 0.00 C ATOM 658 CG GLU A 45 -0.138 3.930 -8.116 1.00 0.00 C ATOM 659 CD GLU A 45 -0.673 4.969 -9.103 1.00 0.00 C ATOM 660 OE1 GLU A 45 -1.713 5.581 -8.776 1.00 0.00 O ATOM 661 OE2 GLU A 45 -0.030 5.129 -10.163 1.00 0.00 O ATOM 0 HA GLU A 45 0.765 6.394 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.822 3.863 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.566 4.932 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.701 3.397 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.911 3.190 -7.907 1.00 0.00 H new ATOM 668 N ILE A 46 1.912 5.989 -4.783 1.00 0.00 N ATOM 669 CA ILE A 46 2.141 6.675 -3.523 1.00 0.00 C ATOM 670 C ILE A 46 3.614 7.078 -3.427 1.00 0.00 C ATOM 671 O ILE A 46 4.493 6.336 -3.861 1.00 0.00 O ATOM 672 CB ILE A 46 1.660 5.817 -2.351 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.203 5.393 -2.543 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.877 6.539 -1.019 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.203 4.343 -1.507 1.00 0.00 C ATOM 0 H ILE A 46 2.158 4.999 -4.780 1.00 0.00 H new ATOM 0 HA ILE A 46 1.556 7.593 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 46 2.259 4.906 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.447 6.264 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.067 4.990 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.527 5.908 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.939 6.748 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.320 7.476 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.243 4.059 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.433 3.464 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.089 4.757 -0.505 1.00 0.00 H new ATOM 687 N ALA A 47 3.837 8.253 -2.857 1.00 0.00 N ATOM 688 CA ALA A 47 5.188 8.764 -2.698 1.00 0.00 C ATOM 689 C ALA A 47 5.232 9.714 -1.500 1.00 0.00 C ATOM 690 O ALA A 47 4.541 10.732 -1.484 1.00 0.00 O ATOM 691 CB ALA A 47 5.633 9.441 -3.996 1.00 0.00 C ATOM 0 H ALA A 47 3.104 8.866 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 47 5.885 7.950 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.646 9.825 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.612 8.716 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.958 10.265 -4.227 1.00 0.00 H new ATOM 697 N ILE A 48 6.051 9.348 -0.525 1.00 0.00 N ATOM 698 CA ILE A 48 6.195 10.155 0.675 1.00 0.00 C ATOM 699 C ILE A 48 7.540 10.882 0.637 1.00 0.00 C ATOM 700 O ILE A 48 8.591 10.247 0.556 1.00 0.00 O ATOM 701 CB ILE A 48 5.994 9.296 1.925 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.767 8.394 1.780 1.00 0.00 C ATOM 703 CG2 ILE A 48 5.921 10.166 3.182 1.00 0.00 C ATOM 704 CD1 ILE A 48 5.144 6.922 1.958 1.00 0.00 C ATOM 0 H ILE A 48 6.622 8.503 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 48 5.420 10.921 0.715 1.00 0.00 H new ATOM 0 HB ILE A 48 6.861 8.644 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.017 8.673 2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.317 8.542 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.778 9.531 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.849 10.728 3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.084 10.859 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.254 6.303 1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.876 6.640 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.571 6.773 2.950 1.00 0.00 H new ATOM 716 N LYS A 49 7.465 12.203 0.699 1.00 0.00 N ATOM 717 CA LYS A 49 8.664 13.023 0.673 1.00 0.00 C ATOM 718 C LYS A 49 9.222 13.147 2.092 1.00 0.00 C ATOM 719 O LYS A 49 9.299 14.246 2.639 1.00 0.00 O ATOM 720 CB LYS A 49 8.378 14.369 0.004 1.00 0.00 C ATOM 721 CG LYS A 49 7.783 14.173 -1.391 1.00 0.00 C ATOM 722 CD LYS A 49 8.832 13.627 -2.362 1.00 0.00 C ATOM 723 CE LYS A 49 9.858 14.703 -2.724 1.00 0.00 C ATOM 724 NZ LYS A 49 9.271 15.685 -3.663 1.00 0.00 N ATOM 0 H LYS A 49 6.592 12.726 0.767 1.00 0.00 H new ATOM 0 HA LYS A 49 9.437 12.550 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.688 14.946 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.300 14.946 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.939 13.485 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.397 15.122 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.339 12.773 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.342 13.267 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.195 15.211 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.736 14.240 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.023 16.295 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.806 15.182 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.571 16.269 -3.162 1.00 0.00 H new ATOM 738 N ASP A 50 9.598 12.005 2.648 1.00 0.00 N ATOM 739 CA ASP A 50 10.147 11.972 3.992 1.00 0.00 C ATOM 740 C ASP A 50 11.669 11.829 3.914 1.00 0.00 C ATOM 741 O ASP A 50 12.343 11.759 4.941 1.00 0.00 O ATOM 742 CB ASP A 50 9.601 10.781 4.782 1.00 0.00 C ATOM 743 CG ASP A 50 10.256 10.553 6.145 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.662 11.565 6.756 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.336 9.372 6.546 1.00 0.00 O ATOM 0 H ASP A 50 9.533 11.095 2.192 1.00 0.00 H new ATOM 0 HA ASP A 50 9.864 12.898 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.530 10.923 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.724 9.879 4.182 1.00 0.00 H new ATOM 750 N ALA A 51 12.165 11.790 2.686 1.00 0.00 N ATOM 751 CA ALA A 51 13.594 11.657 2.461 1.00 0.00 C ATOM 752 C ALA A 51 14.004 10.197 2.664 1.00 0.00 C ATOM 753 O ALA A 51 14.534 9.565 1.752 1.00 0.00 O ATOM 754 CB ALA A 51 14.349 12.610 3.390 1.00 0.00 C ATOM 0 H ALA A 51 11.603 11.848 1.837 1.00 0.00 H new ATOM 0 HA ALA A 51 13.848 11.931 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.421 12.510 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.044 13.636 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.121 12.364 4.427 1.00 0.00 H new ATOM 760 N GLY A 52 13.744 9.705 3.866 1.00 0.00 N ATOM 761 CA GLY A 52 14.079 8.331 4.201 1.00 0.00 C ATOM 762 C GLY A 52 13.681 7.379 3.071 1.00 0.00 C ATOM 763 O GLY A 52 14.261 6.303 2.928 1.00 0.00 O ATOM 0 H GLY A 52 13.305 10.233 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.149 8.250 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.570 8.043 5.121 1.00 0.00 H new ATOM 767 N ILE A 53 12.694 7.808 2.298 1.00 0.00 N ATOM 768 CA ILE A 53 12.212 7.007 1.186 1.00 0.00 C ATOM 769 C ILE A 53 12.927 7.438 -0.096 1.00 0.00 C ATOM 770 O ILE A 53 13.362 8.583 -0.213 1.00 0.00 O ATOM 771 CB ILE A 53 10.686 7.082 1.094 1.00 0.00 C ATOM 772 CG1 ILE A 53 10.035 6.640 2.406 1.00 0.00 C ATOM 773 CG2 ILE A 53 10.169 6.279 -0.101 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.863 7.553 2.771 1.00 0.00 C ATOM 0 H ILE A 53 12.215 8.700 2.420 1.00 0.00 H new ATOM 0 HA ILE A 53 12.448 5.955 1.344 1.00 0.00 H new ATOM 0 HB ILE A 53 10.405 8.122 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.685 5.612 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.775 6.654 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.082 6.349 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.595 6.680 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.461 5.235 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.418 7.217 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.221 8.576 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.114 7.517 1.980 1.00 0.00 H new ATOM 786 N SER A 54 13.027 6.499 -1.024 1.00 0.00 N ATOM 787 CA SER A 54 13.683 6.767 -2.293 1.00 0.00 C ATOM 788 C SER A 54 12.679 6.630 -3.440 1.00 0.00 C ATOM 789 O SER A 54 11.677 5.929 -3.311 1.00 0.00 O ATOM 790 CB SER A 54 14.869 5.826 -2.510 1.00 0.00 C ATOM 791 OG SER A 54 16.111 6.451 -2.195 1.00 0.00 O ATOM 0 H SER A 54 12.665 5.551 -0.923 1.00 0.00 H new ATOM 0 HA SER A 54 14.064 7.788 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.744 4.937 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.883 5.494 -3.548 1.00 0.00 H new ATOM 0 HG SER A 54 16.843 5.817 -2.345 1.00 0.00 H new ATOM 797 N THR A 55 12.984 7.310 -4.535 1.00 0.00 N ATOM 798 CA THR A 55 12.122 7.272 -5.704 1.00 0.00 C ATOM 799 C THR A 55 11.523 5.875 -5.880 1.00 0.00 C ATOM 800 O THR A 55 10.304 5.717 -5.905 1.00 0.00 O ATOM 801 CB THR A 55 12.938 7.740 -6.910 1.00 0.00 C ATOM 802 OG1 THR A 55 14.138 6.975 -6.834 1.00 0.00 O ATOM 803 CG2 THR A 55 13.411 9.189 -6.771 1.00 0.00 C ATOM 0 H THR A 55 13.816 7.891 -4.638 1.00 0.00 H new ATOM 0 HA THR A 55 11.271 7.944 -5.590 1.00 0.00 H new ATOM 0 HB THR A 55 12.339 7.639 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.726 7.214 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.985 9.471 -7.654 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.547 9.846 -6.675 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.038 9.284 -5.885 1.00 0.00 H new ATOM 811 N LYS A 56 12.409 4.897 -5.999 1.00 0.00 N ATOM 812 CA LYS A 56 11.984 3.519 -6.172 1.00 0.00 C ATOM 813 C LYS A 56 12.341 2.718 -4.919 1.00 0.00 C ATOM 814 O LYS A 56 13.274 1.916 -4.935 1.00 0.00 O ATOM 815 CB LYS A 56 12.567 2.937 -7.461 1.00 0.00 C ATOM 816 CG LYS A 56 11.531 2.952 -8.588 1.00 0.00 C ATOM 817 CD LYS A 56 12.121 3.549 -9.867 1.00 0.00 C ATOM 818 CE LYS A 56 11.574 4.955 -10.119 1.00 0.00 C ATOM 819 NZ LYS A 56 10.988 5.049 -11.475 1.00 0.00 N ATOM 0 H LYS A 56 13.420 5.032 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 56 10.901 3.466 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.443 3.512 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.902 1.915 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.185 1.937 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.661 3.532 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.207 3.587 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.885 2.906 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.818 5.196 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.374 5.687 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.622 6.010 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.719 4.839 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.211 4.364 -11.566 1.00 0.00 H new ATOM 833 N HIS A 57 11.581 2.963 -3.862 1.00 0.00 N ATOM 834 CA HIS A 57 11.806 2.274 -2.602 1.00 0.00 C ATOM 835 C HIS A 57 11.286 0.839 -2.702 1.00 0.00 C ATOM 836 O HIS A 57 12.062 -0.113 -2.628 1.00 0.00 O ATOM 837 CB HIS A 57 11.184 3.051 -1.440 1.00 0.00 C ATOM 838 CG HIS A 57 11.473 2.459 -0.081 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.878 3.223 0.999 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.410 1.170 0.361 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.049 2.420 2.039 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.760 1.148 1.641 1.00 0.00 N ATOM 0 H HIS A 57 10.809 3.629 -3.852 1.00 0.00 H new ATOM 0 HA HIS A 57 12.875 2.222 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.552 4.077 -1.464 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.104 3.096 -1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.124 0.313 -0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.362 2.720 3.028 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.805 0.317 2.230 1.00 0.00 H new ATOM 850 N LEU A 58 9.976 0.729 -2.868 1.00 0.00 N ATOM 851 CA LEU A 58 9.343 -0.575 -2.978 1.00 0.00 C ATOM 852 C LEU A 58 8.019 -0.431 -3.731 1.00 0.00 C ATOM 853 O LEU A 58 7.571 0.682 -3.999 1.00 0.00 O ATOM 854 CB LEU A 58 9.200 -1.220 -1.598 1.00 0.00 C ATOM 855 CG LEU A 58 8.478 -0.384 -0.539 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.206 0.245 -1.111 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.193 -1.215 0.713 1.00 0.00 C ATOM 0 H LEU A 58 9.336 1.521 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 58 9.968 -1.255 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.667 -2.164 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.196 -1.460 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 58 9.135 0.433 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.712 0.834 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.465 0.891 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.533 -0.541 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.679 -0.598 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.564 -2.065 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.132 -1.575 1.132 1.00 0.00 H new ATOM 869 N ARG A 59 7.429 -1.574 -4.050 1.00 0.00 N ATOM 870 CA ARG A 59 6.165 -1.590 -4.765 1.00 0.00 C ATOM 871 C ARG A 59 5.225 -2.634 -4.159 1.00 0.00 C ATOM 872 O ARG A 59 5.658 -3.723 -3.787 1.00 0.00 O ATOM 873 CB ARG A 59 6.376 -1.904 -6.248 1.00 0.00 C ATOM 874 CG ARG A 59 6.574 -3.405 -6.468 1.00 0.00 C ATOM 875 CD ARG A 59 7.018 -3.694 -7.903 1.00 0.00 C ATOM 876 NE ARG A 59 7.856 -4.914 -7.938 1.00 0.00 N ATOM 877 CZ ARG A 59 8.209 -5.552 -9.062 1.00 0.00 C ATOM 878 NH1 ARG A 59 7.800 -5.089 -10.251 1.00 0.00 N ATOM 879 NH2 ARG A 59 8.971 -6.652 -8.997 1.00 0.00 N ATOM 0 H ARG A 59 7.804 -2.496 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 59 5.720 -0.599 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.516 -1.559 -6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.245 -1.361 -6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.320 -3.783 -5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.644 -3.933 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.145 -3.824 -8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.579 -2.846 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 59 8.185 -5.293 -7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.220 -4.251 -10.300 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.068 -5.574 -11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.282 -7.004 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.240 -7.138 -9.853 1.00 0.00 H new ATOM 893 N ILE A 60 3.955 -2.264 -4.078 1.00 0.00 N ATOM 894 CA ILE A 60 2.950 -3.154 -3.523 1.00 0.00 C ATOM 895 C ILE A 60 2.099 -3.726 -4.659 1.00 0.00 C ATOM 896 O ILE A 60 1.745 -3.011 -5.595 1.00 0.00 O ATOM 897 CB ILE A 60 2.134 -2.436 -2.446 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.843 -2.496 -1.091 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.711 -2.993 -2.373 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.255 -1.472 -0.119 1.00 0.00 C ATOM 0 H ILE A 60 3.599 -1.360 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 60 3.424 -3.998 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 60 2.054 -1.385 -2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.748 -3.497 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.908 -2.306 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.153 -2.465 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.217 -2.856 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.748 -4.055 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.777 -1.536 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.373 -0.470 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.196 -1.680 0.032 1.00 0.00 H new ATOM 912 N GLU A 61 1.796 -5.011 -4.539 1.00 0.00 N ATOM 913 CA GLU A 61 0.993 -5.687 -5.544 1.00 0.00 C ATOM 914 C GLU A 61 0.101 -6.743 -4.888 1.00 0.00 C ATOM 915 O GLU A 61 0.153 -6.937 -3.674 1.00 0.00 O ATOM 916 CB GLU A 61 1.879 -6.312 -6.623 1.00 0.00 C ATOM 917 CG GLU A 61 3.034 -7.098 -5.998 1.00 0.00 C ATOM 918 CD GLU A 61 4.354 -6.337 -6.138 1.00 0.00 C ATOM 919 OE1 GLU A 61 4.653 -5.924 -7.279 1.00 0.00 O ATOM 920 OE2 GLU A 61 5.034 -6.185 -5.100 1.00 0.00 O ATOM 0 H GLU A 61 2.092 -5.601 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 61 0.353 -4.949 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.282 -6.974 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.275 -5.530 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.826 -7.281 -4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.119 -8.072 -6.480 1.00 0.00 H new ATOM 927 N SER A 62 -0.697 -7.396 -5.719 1.00 0.00 N ATOM 928 CA SER A 62 -1.600 -8.427 -5.235 1.00 0.00 C ATOM 929 C SER A 62 -1.618 -9.606 -6.210 1.00 0.00 C ATOM 930 O SER A 62 -1.623 -9.413 -7.424 1.00 0.00 O ATOM 931 CB SER A 62 -3.014 -7.875 -5.044 1.00 0.00 C ATOM 932 OG SER A 62 -3.998 -8.906 -5.071 1.00 0.00 O ATOM 0 H SER A 62 -0.737 -7.232 -6.725 1.00 0.00 H new ATOM 0 HA SER A 62 -1.239 -8.771 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.071 -7.345 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.229 -7.149 -5.828 1.00 0.00 H new ATOM 0 HG SER A 62 -3.762 -9.600 -4.421 1.00 0.00 H new ATOM 938 N ASP A 63 -1.627 -10.803 -5.640 1.00 0.00 N ATOM 939 CA ASP A 63 -1.645 -12.014 -6.444 1.00 0.00 C ATOM 940 C ASP A 63 -3.093 -12.385 -6.767 1.00 0.00 C ATOM 941 O ASP A 63 -3.967 -11.520 -6.803 1.00 0.00 O ATOM 942 CB ASP A 63 -1.014 -13.185 -5.688 1.00 0.00 C ATOM 943 CG ASP A 63 -0.275 -14.197 -6.565 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.644 -13.757 -7.290 1.00 0.00 O ATOM 945 OD2 ASP A 63 -0.645 -15.389 -6.492 1.00 0.00 O ATOM 0 H ASP A 63 -1.622 -10.960 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.077 -11.824 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.316 -12.788 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.797 -13.707 -5.138 1.00 0.00 H new ATOM 950 N SER A 64 -3.303 -13.673 -6.994 1.00 0.00 N ATOM 951 CA SER A 64 -4.631 -14.170 -7.314 1.00 0.00 C ATOM 952 C SER A 64 -5.679 -13.439 -6.473 1.00 0.00 C ATOM 953 O SER A 64 -6.384 -12.565 -6.975 1.00 0.00 O ATOM 954 CB SER A 64 -4.724 -15.680 -7.084 1.00 0.00 C ATOM 955 OG SER A 64 -6.024 -16.185 -7.377 1.00 0.00 O ATOM 0 H SER A 64 -2.576 -14.388 -6.963 1.00 0.00 H new ATOM 0 HA SER A 64 -4.823 -13.978 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.989 -16.188 -7.708 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.473 -15.905 -6.048 1.00 0.00 H new ATOM 0 HG SER A 64 -6.042 -17.152 -7.220 1.00 0.00 H new ATOM 961 N GLY A 65 -5.749 -13.824 -5.207 1.00 0.00 N ATOM 962 CA GLY A 65 -6.700 -13.216 -4.291 1.00 0.00 C ATOM 963 C GLY A 65 -6.035 -12.879 -2.955 1.00 0.00 C ATOM 964 O GLY A 65 -6.585 -13.168 -1.893 1.00 0.00 O ATOM 0 H GLY A 65 -5.163 -14.549 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.110 -12.310 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.536 -13.896 -4.124 1.00 0.00 H new ATOM 968 N ASN A 66 -4.861 -12.272 -3.051 1.00 0.00 N ATOM 969 CA ASN A 66 -4.116 -11.892 -1.863 1.00 0.00 C ATOM 970 C ASN A 66 -3.206 -10.708 -2.194 1.00 0.00 C ATOM 971 O ASN A 66 -2.995 -10.391 -3.364 1.00 0.00 O ATOM 972 CB ASN A 66 -3.234 -13.043 -1.374 1.00 0.00 C ATOM 973 CG ASN A 66 -4.064 -14.090 -0.627 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.969 -13.778 0.129 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.705 -15.345 -0.880 1.00 0.00 N ATOM 0 H ASN A 66 -4.408 -12.034 -3.933 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.833 -11.631 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.733 -13.509 -2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.455 -12.655 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.197 -16.117 -0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.938 -15.536 -1.524 1.00 0.00 H new ATOM 982 N TRP A 67 -2.691 -10.086 -1.144 1.00 0.00 N ATOM 983 CA TRP A 67 -1.809 -8.943 -1.308 1.00 0.00 C ATOM 984 C TRP A 67 -0.413 -9.351 -0.832 1.00 0.00 C ATOM 985 O TRP A 67 -0.278 -10.149 0.095 1.00 0.00 O ATOM 986 CB TRP A 67 -2.356 -7.717 -0.575 1.00 0.00 C ATOM 987 CG TRP A 67 -3.636 -7.145 -1.188 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.898 -7.549 -0.989 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.727 -6.043 -2.115 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.793 -6.790 -1.716 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.058 -5.845 -2.422 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.718 -5.239 -2.674 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.502 -4.848 -3.299 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.179 -4.247 -3.548 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.515 -4.035 -3.868 1.00 0.00 C ATOM 0 H TRP A 67 -2.868 -10.352 -0.175 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.748 -8.651 -2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.551 -7.984 0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.591 -6.940 -0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.180 -8.366 -0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.807 -6.902 -1.732 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.671 -5.376 -2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.550 -4.714 -3.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.445 -3.601 -4.006 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.790 -3.246 -4.553 1.00 0.00 H new ATOM 1006 N VAL A 68 0.590 -8.785 -1.486 1.00 0.00 N ATOM 1007 CA VAL A 68 1.970 -9.080 -1.141 1.00 0.00 C ATOM 1008 C VAL A 68 2.805 -7.803 -1.259 1.00 0.00 C ATOM 1009 O VAL A 68 2.473 -6.910 -2.038 1.00 0.00 O ATOM 1010 CB VAL A 68 2.496 -10.221 -2.014 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.478 -11.360 -2.099 1.00 0.00 C ATOM 1012 CG2 VAL A 68 2.871 -9.716 -3.409 1.00 0.00 C ATOM 0 H VAL A 68 0.475 -8.123 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 68 2.041 -9.420 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 68 3.399 -10.613 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.876 -12.158 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.281 -11.747 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.550 -10.987 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.242 -10.547 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.992 -9.286 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.647 -8.955 -3.324 1.00 0.00 H new ATOM 1022 N ILE A 69 3.871 -7.757 -0.475 1.00 0.00 N ATOM 1023 CA ILE A 69 4.756 -6.604 -0.482 1.00 0.00 C ATOM 1024 C ILE A 69 6.182 -7.063 -0.792 1.00 0.00 C ATOM 1025 O ILE A 69 6.600 -8.136 -0.362 1.00 0.00 O ATOM 1026 CB ILE A 69 4.632 -5.826 0.830 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.452 -4.535 0.781 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.013 -6.702 2.025 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.696 -3.380 1.440 1.00 0.00 C ATOM 0 H ILE A 69 4.143 -8.499 0.170 1.00 0.00 H new ATOM 0 HA ILE A 69 4.467 -5.907 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 69 3.588 -5.540 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.405 -4.686 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.678 -4.282 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.916 -6.125 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.351 -7.567 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.044 -7.039 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.301 -2.475 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.754 -3.216 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.493 -3.626 2.482 1.00 0.00 H new ATOM 1041 N GLN A 70 6.890 -6.226 -1.537 1.00 0.00 N ATOM 1042 CA GLN A 70 8.260 -6.532 -1.910 1.00 0.00 C ATOM 1043 C GLN A 70 9.134 -5.281 -1.796 1.00 0.00 C ATOM 1044 O GLN A 70 8.817 -4.244 -2.376 1.00 0.00 O ATOM 1045 CB GLN A 70 8.326 -7.120 -3.321 1.00 0.00 C ATOM 1046 CG GLN A 70 9.756 -7.531 -3.678 1.00 0.00 C ATOM 1047 CD GLN A 70 9.765 -8.811 -4.516 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.262 -9.871 -3.891 1.00 0.00 O flip ATOM 1049 NE2 GLN A 70 10.200 -8.834 -5.656 1.00 0.00 N flip ATOM 0 H GLN A 70 6.540 -5.336 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 70 8.644 -7.284 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.667 -7.986 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.964 -6.387 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.242 -6.727 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.332 -7.685 -2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.573 -7.983 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.191 -9.704 -6.188 1.00 0.00 H new ATOM 1058 N ASP A 71 10.216 -5.421 -1.044 1.00 0.00 N ATOM 1059 CA ASP A 71 11.137 -4.315 -0.846 1.00 0.00 C ATOM 1060 C ASP A 71 12.113 -4.253 -2.023 1.00 0.00 C ATOM 1061 O ASP A 71 13.019 -5.078 -2.127 1.00 0.00 O ATOM 1062 CB ASP A 71 11.953 -4.500 0.435 1.00 0.00 C ATOM 1063 CG ASP A 71 13.053 -3.460 0.657 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.143 -2.541 -0.185 1.00 0.00 O ATOM 1065 OD2 ASP A 71 13.779 -3.608 1.663 1.00 0.00 O ATOM 0 H ASP A 71 10.475 -6.283 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 71 10.552 -3.398 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.274 -4.476 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.408 -5.490 0.418 1.00 0.00 H new ATOM 1070 N LEU A 72 11.895 -3.266 -2.880 1.00 0.00 N ATOM 1071 CA LEU A 72 12.743 -3.086 -4.046 1.00 0.00 C ATOM 1072 C LEU A 72 14.126 -2.611 -3.595 1.00 0.00 C ATOM 1073 O LEU A 72 14.567 -1.526 -3.971 1.00 0.00 O ATOM 1074 CB LEU A 72 12.073 -2.155 -5.058 1.00 0.00 C ATOM 1075 CG LEU A 72 10.850 -2.721 -5.782 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.059 -3.661 -4.870 1.00 0.00 C ATOM 1077 CD2 LEU A 72 9.976 -1.597 -6.342 1.00 0.00 C ATOM 0 H LEU A 72 11.143 -2.583 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 72 12.884 -4.034 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.775 -1.243 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.813 -1.870 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 72 11.198 -3.312 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.195 -4.049 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.696 -4.490 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.721 -3.115 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.114 -2.026 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.635 -0.960 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.556 -1.003 -7.048 1.00 0.00 H new ATOM 1089 N GLY A 73 14.773 -3.448 -2.797 1.00 0.00 N ATOM 1090 CA GLY A 73 16.097 -3.127 -2.291 1.00 0.00 C ATOM 1091 C GLY A 73 16.227 -1.630 -2.005 1.00 0.00 C ATOM 1092 O GLY A 73 17.088 -0.958 -2.571 1.00 0.00 O ATOM 0 H GLY A 73 14.405 -4.348 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.289 -3.693 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.851 -3.429 -3.018 1.00 0.00 H new ATOM 1096 N SER A 74 15.359 -1.151 -1.126 1.00 0.00 N ATOM 1097 CA SER A 74 15.365 0.255 -0.758 1.00 0.00 C ATOM 1098 C SER A 74 16.749 0.654 -0.241 1.00 0.00 C ATOM 1099 O SER A 74 17.671 -0.161 -0.232 1.00 0.00 O ATOM 1100 CB SER A 74 14.299 0.553 0.298 1.00 0.00 C ATOM 1101 OG SER A 74 14.756 0.263 1.616 1.00 0.00 O ATOM 0 H SER A 74 14.647 -1.711 -0.658 1.00 0.00 H new ATOM 0 HA SER A 74 15.132 0.842 -1.646 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.012 1.603 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.406 -0.035 0.087 1.00 0.00 H new ATOM 0 HG SER A 74 14.028 0.413 2.255 1.00 0.00 H new ATOM 1139 N THR A 78 12.771 -2.061 4.360 1.00 0.00 N ATOM 1140 CA THR A 78 11.371 -1.966 4.735 1.00 0.00 C ATOM 1141 C THR A 78 11.086 -2.842 5.957 1.00 0.00 C ATOM 1142 O THR A 78 11.602 -3.953 6.062 1.00 0.00 O ATOM 1143 CB THR A 78 10.527 -2.335 3.514 1.00 0.00 C ATOM 1144 OG1 THR A 78 10.998 -1.462 2.490 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.055 -1.954 3.681 1.00 0.00 C ATOM 0 HA THR A 78 11.110 -0.950 5.033 1.00 0.00 H new ATOM 0 HB THR A 78 10.605 -3.407 3.330 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.966 -1.573 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.502 -2.238 2.786 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.640 -2.474 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.973 -0.878 3.832 1.00 0.00 H new ATOM 1153 N LEU A 79 10.266 -2.308 6.850 1.00 0.00 N ATOM 1154 CA LEU A 79 9.906 -3.027 8.060 1.00 0.00 C ATOM 1155 C LEU A 79 8.418 -3.379 8.016 1.00 0.00 C ATOM 1156 O LEU A 79 7.600 -2.578 7.566 1.00 0.00 O ATOM 1157 CB LEU A 79 10.312 -2.227 9.300 1.00 0.00 C ATOM 1158 CG LEU A 79 11.783 -2.327 9.710 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.141 -1.248 10.734 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.117 -3.731 10.216 1.00 0.00 C ATOM 0 H LEU A 79 9.840 -1.385 6.760 1.00 0.00 H new ATOM 0 HA LEU A 79 10.455 -3.967 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.075 -1.178 9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.698 -2.557 10.138 1.00 0.00 H new ATOM 0 HG LEU A 79 12.397 -2.149 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.192 -1.341 11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.965 -0.263 10.301 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.522 -1.370 11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.168 -3.775 10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.497 -3.963 11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.924 -4.458 9.427 1.00 0.00 H new ATOM 1172 N LEU A 80 8.111 -4.577 8.491 1.00 0.00 N ATOM 1173 CA LEU A 80 6.736 -5.045 8.511 1.00 0.00 C ATOM 1174 C LEU A 80 6.381 -5.510 9.925 1.00 0.00 C ATOM 1175 O LEU A 80 6.833 -6.566 10.367 1.00 0.00 O ATOM 1176 CB LEU A 80 6.518 -6.115 7.439 1.00 0.00 C ATOM 1177 CG LEU A 80 5.066 -6.535 7.196 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.202 -5.330 6.819 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.986 -7.649 6.150 1.00 0.00 C ATOM 0 H LEU A 80 8.792 -5.238 8.865 1.00 0.00 H new ATOM 0 HA LEU A 80 6.054 -4.233 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.932 -5.749 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.090 -7.000 7.716 1.00 0.00 H new ATOM 0 HG LEU A 80 4.666 -6.938 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.176 -5.656 6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.223 -4.600 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.591 -4.874 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.944 -7.929 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.410 -7.296 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.547 -8.516 6.498 1.00 0.00 H new ATOM 1191 N ASN A 81 5.575 -4.700 10.595 1.00 0.00 N ATOM 1192 CA ASN A 81 5.154 -5.015 11.949 1.00 0.00 C ATOM 1193 C ASN A 81 6.380 -5.050 12.865 1.00 0.00 C ATOM 1194 O ASN A 81 6.621 -4.111 13.621 1.00 0.00 O ATOM 1195 CB ASN A 81 4.479 -6.387 12.011 1.00 0.00 C ATOM 1196 CG ASN A 81 3.114 -6.358 11.321 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.190 -5.682 11.743 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.039 -7.126 10.238 1.00 0.00 N ATOM 0 H ASN A 81 5.202 -3.826 10.225 1.00 0.00 H new ATOM 0 HA ASN A 81 4.446 -4.250 12.268 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.116 -7.132 11.534 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.358 -6.690 13.051 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.170 -7.174 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.851 -7.667 9.939 1.00 0.00 H new ATOM 1205 N SER A 82 7.122 -6.143 12.765 1.00 0.00 N ATOM 1206 CA SER A 82 8.316 -6.313 13.575 1.00 0.00 C ATOM 1207 C SER A 82 9.301 -7.244 12.865 1.00 0.00 C ATOM 1208 O SER A 82 9.644 -8.304 13.386 1.00 0.00 O ATOM 1209 CB SER A 82 7.970 -6.863 14.960 1.00 0.00 C ATOM 1210 OG SER A 82 7.893 -5.831 15.940 1.00 0.00 O ATOM 0 H SER A 82 6.919 -6.920 12.135 1.00 0.00 H new ATOM 0 HA SER A 82 8.780 -5.336 13.708 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.017 -7.390 14.913 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.723 -7.592 15.259 1.00 0.00 H new ATOM 0 HG SER A 82 7.499 -5.028 15.539 1.00 0.00 H new ATOM 1216 N ASN A 83 9.729 -6.814 11.687 1.00 0.00 N ATOM 1217 CA ASN A 83 10.668 -7.596 10.901 1.00 0.00 C ATOM 1218 C ASN A 83 11.066 -6.804 9.654 1.00 0.00 C ATOM 1219 O ASN A 83 10.222 -6.176 9.017 1.00 0.00 O ATOM 1220 CB ASN A 83 10.039 -8.914 10.443 1.00 0.00 C ATOM 1221 CG ASN A 83 11.107 -9.992 10.249 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.623 -10.568 11.193 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.408 -10.233 8.976 1.00 0.00 N ATOM 0 H ASN A 83 9.443 -5.934 11.258 1.00 0.00 H new ATOM 0 HA ASN A 83 11.536 -7.808 11.525 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.309 -9.248 11.180 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.500 -8.759 9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.109 -10.936 8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.938 -9.715 8.234 1.00 0.00 H new ATOM 1230 N ALA A 84 12.353 -6.859 9.343 1.00 0.00 N ATOM 1231 CA ALA A 84 12.873 -6.154 8.184 1.00 0.00 C ATOM 1232 C ALA A 84 12.648 -7.004 6.932 1.00 0.00 C ATOM 1233 O ALA A 84 13.138 -8.129 6.844 1.00 0.00 O ATOM 1234 CB ALA A 84 14.351 -5.826 8.407 1.00 0.00 C ATOM 0 H ALA A 84 13.051 -7.381 9.873 1.00 0.00 H new ATOM 0 HA ALA A 84 12.347 -5.210 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.742 -5.297 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.455 -5.197 9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.911 -6.750 8.551 1.00 0.00 H new ATOM 1240 N LEU A 85 11.905 -6.434 5.994 1.00 0.00 N ATOM 1241 CA LEU A 85 11.608 -7.126 4.751 1.00 0.00 C ATOM 1242 C LEU A 85 12.907 -7.346 3.973 1.00 0.00 C ATOM 1243 O LEU A 85 13.950 -6.805 4.333 1.00 0.00 O ATOM 1244 CB LEU A 85 10.538 -6.371 3.961 1.00 0.00 C ATOM 1245 CG LEU A 85 9.204 -6.150 4.678 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.337 -5.139 3.926 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.476 -7.477 4.901 1.00 0.00 C ATOM 0 H LEU A 85 11.500 -5.501 6.070 1.00 0.00 H new ATOM 0 HA LEU A 85 11.186 -8.111 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.942 -5.398 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.345 -6.916 3.037 1.00 0.00 H new ATOM 0 HG LEU A 85 9.411 -5.727 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.395 -5.001 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.861 -4.186 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.136 -5.509 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.531 -7.292 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.282 -7.951 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.096 -8.134 5.511 1.00 0.00 H new ATOM 1259 N ASP A 86 12.799 -8.142 2.919 1.00 0.00 N ATOM 1260 CA ASP A 86 13.952 -8.441 2.086 1.00 0.00 C ATOM 1261 C ASP A 86 13.578 -8.245 0.616 1.00 0.00 C ATOM 1262 O ASP A 86 12.410 -8.359 0.248 1.00 0.00 O ATOM 1263 CB ASP A 86 14.403 -9.891 2.270 1.00 0.00 C ATOM 1264 CG ASP A 86 15.906 -10.079 2.485 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.564 -9.066 2.808 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.364 -11.230 2.323 1.00 0.00 O ATOM 0 H ASP A 86 11.931 -8.589 2.623 1.00 0.00 H new ATOM 0 HA ASP A 86 14.762 -7.772 2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.873 -10.315 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.103 -10.463 1.392 1.00 0.00 H new ATOM 1271 N PRO A 87 14.619 -7.945 -0.207 1.00 0.00 N ATOM 1272 CA PRO A 87 14.412 -7.732 -1.629 1.00 0.00 C ATOM 1273 C PRO A 87 14.175 -9.059 -2.354 1.00 0.00 C ATOM 1274 O PRO A 87 13.356 -9.134 -3.267 1.00 0.00 O ATOM 1275 CB PRO A 87 15.661 -7.010 -2.105 1.00 0.00 C ATOM 1276 CG PRO A 87 16.717 -7.257 -1.040 1.00 0.00 C ATOM 1277 CD PRO A 87 16.016 -7.803 0.194 1.00 0.00 C ATOM 0 HA PRO A 87 13.521 -7.140 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.987 -7.390 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.473 -5.943 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.463 -7.965 -1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.243 -6.332 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.440 -8.760 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.118 -7.124 1.041 1.00 0.00 H new ATOM 1285 N GLU A 88 14.909 -10.073 -1.918 1.00 0.00 N ATOM 1286 CA GLU A 88 14.789 -11.393 -2.514 1.00 0.00 C ATOM 1287 C GLU A 88 13.753 -12.225 -1.756 1.00 0.00 C ATOM 1288 O GLU A 88 13.906 -13.438 -1.619 1.00 0.00 O ATOM 1289 CB GLU A 88 16.144 -12.104 -2.548 1.00 0.00 C ATOM 1290 CG GLU A 88 17.161 -11.306 -3.368 1.00 0.00 C ATOM 1291 CD GLU A 88 18.360 -12.176 -3.750 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.161 -13.080 -4.589 1.00 0.00 O ATOM 1293 OE2 GLU A 88 19.449 -11.916 -3.194 1.00 0.00 O ATOM 0 H GLU A 88 15.588 -10.007 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 88 14.450 -11.276 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.515 -12.237 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.026 -13.099 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.685 -10.921 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.501 -10.444 -2.794 1.00 0.00 H new ATOM 1300 N THR A 89 12.721 -11.541 -1.285 1.00 0.00 N ATOM 1301 CA THR A 89 11.660 -12.202 -0.545 1.00 0.00 C ATOM 1302 C THR A 89 10.363 -11.395 -0.637 1.00 0.00 C ATOM 1303 O THR A 89 10.394 -10.166 -0.677 1.00 0.00 O ATOM 1304 CB THR A 89 12.144 -12.411 0.891 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.305 -13.226 0.751 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.183 -13.271 1.714 1.00 0.00 C ATOM 0 H THR A 89 12.597 -10.535 -1.402 1.00 0.00 H new ATOM 0 HA THR A 89 11.430 -13.178 -0.971 1.00 0.00 H new ATOM 0 HB THR A 89 12.270 -11.443 1.375 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.236 -13.755 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.574 -13.388 2.725 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.207 -12.787 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.082 -14.251 1.248 1.00 0.00 H new ATOM 1314 N SER A 90 9.254 -12.120 -0.669 1.00 0.00 N ATOM 1315 CA SER A 90 7.949 -11.487 -0.756 1.00 0.00 C ATOM 1316 C SER A 90 7.063 -11.954 0.400 1.00 0.00 C ATOM 1317 O SER A 90 6.887 -13.154 0.606 1.00 0.00 O ATOM 1318 CB SER A 90 7.277 -11.792 -2.097 1.00 0.00 C ATOM 1319 OG SER A 90 7.006 -13.182 -2.254 1.00 0.00 O ATOM 0 H SER A 90 9.233 -13.139 -0.636 1.00 0.00 H new ATOM 0 HA SER A 90 8.087 -10.408 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.346 -11.230 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.920 -11.454 -2.910 1.00 0.00 H new ATOM 0 HG SER A 90 7.029 -13.621 -1.378 1.00 0.00 H new ATOM 1325 N VAL A 91 6.528 -10.982 1.124 1.00 0.00 N ATOM 1326 CA VAL A 91 5.664 -11.279 2.254 1.00 0.00 C ATOM 1327 C VAL A 91 4.220 -10.924 1.894 1.00 0.00 C ATOM 1328 O VAL A 91 3.976 -9.955 1.176 1.00 0.00 O ATOM 1329 CB VAL A 91 6.166 -10.549 3.502 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.530 -11.128 4.768 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.693 -10.593 3.586 1.00 0.00 C ATOM 0 H VAL A 91 6.676 -9.988 0.950 1.00 0.00 H new ATOM 0 HA VAL A 91 5.689 -12.344 2.484 1.00 0.00 H new ATOM 0 HB VAL A 91 5.865 -9.504 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.903 -10.592 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.447 -11.021 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.786 -12.184 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.023 -10.067 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.025 -11.630 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.120 -10.113 2.705 1.00 0.00 H new ATOM 1341 N ASN A 92 3.301 -11.727 2.408 1.00 0.00 N ATOM 1342 CA ASN A 92 1.888 -11.510 2.150 1.00 0.00 C ATOM 1343 C ASN A 92 1.334 -10.514 3.171 1.00 0.00 C ATOM 1344 O ASN A 92 1.323 -10.790 4.369 1.00 0.00 O ATOM 1345 CB ASN A 92 1.097 -12.813 2.283 1.00 0.00 C ATOM 1346 CG ASN A 92 1.128 -13.328 3.723 1.00 0.00 C ATOM 1347 OD1 ASN A 92 2.104 -13.184 4.440 1.00 0.00 O ATOM 1348 ND2 ASN A 92 0.007 -13.935 4.105 1.00 0.00 N ATOM 0 H ASN A 92 3.507 -12.530 3.002 1.00 0.00 H new ATOM 0 HA ASN A 92 1.786 -11.128 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.065 -12.649 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.514 -13.566 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.072 -14.314 5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.773 -14.022 3.454 1.00 0.00 H new ATOM 1355 N LEU A 93 0.888 -9.377 2.658 1.00 0.00 N ATOM 1356 CA LEU A 93 0.334 -8.339 3.511 1.00 0.00 C ATOM 1357 C LEU A 93 -0.845 -8.909 4.302 1.00 0.00 C ATOM 1358 O LEU A 93 -1.385 -9.956 3.949 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.021 -7.100 2.685 1.00 0.00 C ATOM 1360 CG LEU A 93 1.161 -6.289 2.151 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.690 -5.214 1.170 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.983 -5.697 3.298 1.00 0.00 C ATOM 0 H LEU A 93 0.899 -9.152 1.663 1.00 0.00 H new ATOM 0 HA LEU A 93 1.075 -8.008 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.632 -7.415 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.639 -6.444 3.298 1.00 0.00 H new ATOM 0 HG LEU A 93 1.816 -6.963 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.550 -4.652 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.182 -5.686 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.002 -4.537 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.817 -5.125 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.352 -5.041 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.367 -6.502 3.924 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.210 -8.194 5.356 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.315 -8.616 6.200 1.00 0.00 C ATOM 1376 C GLY A 94 -3.034 -7.410 6.807 1.00 0.00 C ATOM 1377 O GLY A 94 -2.436 -6.348 6.976 1.00 0.00 O ATOM 0 H GLY A 94 -0.760 -7.325 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.019 -9.207 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.943 -9.261 6.996 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.306 -7.613 7.117 1.00 0.00 N ATOM 1382 CA ASP A 95 -5.112 -6.554 7.702 1.00 0.00 C ATOM 1383 C ASP A 95 -4.637 -6.288 9.132 1.00 0.00 C ATOM 1384 O ASP A 95 -4.899 -7.083 10.034 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.587 -6.954 7.760 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.409 -6.240 8.835 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.817 -5.090 8.566 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.610 -6.861 9.901 1.00 0.00 O ATOM 0 H ASP A 95 -4.799 -8.495 6.974 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.004 -5.665 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.040 -6.758 6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.650 -8.029 7.930 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.948 -5.168 9.294 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.435 -4.788 10.599 1.00 0.00 C ATOM 1395 C GLY A 96 -1.905 -4.806 10.613 1.00 0.00 C ATOM 1396 O GLY A 96 -1.291 -4.824 11.678 1.00 0.00 O ATOM 0 H GLY A 96 -3.733 -4.512 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.793 -3.792 10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.817 -5.471 11.357 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.334 -4.802 9.417 1.00 0.00 N ATOM 1401 CA ASP A 97 0.112 -4.818 9.279 1.00 0.00 C ATOM 1402 C ASP A 97 0.629 -3.380 9.200 1.00 0.00 C ATOM 1403 O ASP A 97 -0.003 -2.523 8.584 1.00 0.00 O ATOM 1404 CB ASP A 97 0.535 -5.543 8.000 1.00 0.00 C ATOM 1405 CG ASP A 97 0.466 -7.070 8.069 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.072 -7.568 9.081 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.952 -7.704 7.108 1.00 0.00 O ATOM 0 H ASP A 97 -1.847 -4.788 8.535 1.00 0.00 H new ATOM 0 HA ASP A 97 0.527 -5.338 10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.098 -5.202 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.556 -5.251 7.756 1.00 0.00 H new ATOM 1412 N VAL A 98 1.772 -3.160 9.833 1.00 0.00 N ATOM 1413 CA VAL A 98 2.380 -1.840 9.842 1.00 0.00 C ATOM 1414 C VAL A 98 3.671 -1.873 9.021 1.00 0.00 C ATOM 1415 O VAL A 98 4.599 -2.612 9.347 1.00 0.00 O ATOM 1416 CB VAL A 98 2.599 -1.375 11.283 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.729 -0.347 11.361 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.307 -0.817 11.881 1.00 0.00 C ATOM 0 H VAL A 98 2.293 -3.873 10.343 1.00 0.00 H new ATOM 0 HA VAL A 98 1.717 -1.110 9.377 1.00 0.00 H new ATOM 0 HB VAL A 98 2.894 -2.242 11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.864 -0.033 12.396 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.653 -0.793 10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.476 0.519 10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.490 -0.494 12.906 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.968 0.032 11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.540 -1.591 11.877 1.00 0.00 H new ATOM 1428 N ILE A 99 3.689 -1.063 7.973 1.00 0.00 N ATOM 1429 CA ILE A 99 4.851 -0.990 7.104 1.00 0.00 C ATOM 1430 C ILE A 99 5.676 0.247 7.465 1.00 0.00 C ATOM 1431 O ILE A 99 5.292 1.370 7.142 1.00 0.00 O ATOM 1432 CB ILE A 99 4.425 -1.037 5.635 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.473 -2.207 5.378 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.644 -1.077 4.711 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.647 -1.974 4.111 1.00 0.00 C ATOM 0 H ILE A 99 2.917 -0.452 7.706 1.00 0.00 H new ATOM 0 HA ILE A 99 5.494 -1.857 7.254 1.00 0.00 H new ATOM 0 HB ILE A 99 3.879 -0.121 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.044 -3.130 5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.808 -2.333 6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.313 -1.110 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.251 -0.186 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.238 -1.964 4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.979 -2.820 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.059 -1.063 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.314 -1.872 3.255 1.00 0.00 H new ATOM 1447 N LYS A 100 6.795 -0.001 8.130 1.00 0.00 N ATOM 1448 CA LYS A 100 7.678 1.078 8.538 1.00 0.00 C ATOM 1449 C LYS A 100 8.792 1.240 7.502 1.00 0.00 C ATOM 1450 O LYS A 100 9.713 0.427 7.443 1.00 0.00 O ATOM 1451 CB LYS A 100 8.190 0.842 9.960 1.00 0.00 C ATOM 1452 CG LYS A 100 7.265 1.491 10.992 1.00 0.00 C ATOM 1453 CD LYS A 100 7.241 0.684 12.291 1.00 0.00 C ATOM 1454 CE LYS A 100 8.032 1.394 13.392 1.00 0.00 C ATOM 1455 NZ LYS A 100 7.723 0.805 14.714 1.00 0.00 N ATOM 0 H LYS A 100 7.110 -0.934 8.396 1.00 0.00 H new ATOM 0 HA LYS A 100 7.135 2.022 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.260 -0.229 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.196 1.250 10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.600 2.508 11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.256 1.564 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.210 0.539 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.662 -0.306 12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.100 1.312 13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.789 2.457 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.268 1.298 15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.707 0.906 14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.977 -0.204 14.713 1.00 0.00 H new ATOM 1469 N LEU A 101 8.671 2.296 6.710 1.00 0.00 N ATOM 1470 CA LEU A 101 9.656 2.575 5.680 1.00 0.00 C ATOM 1471 C LEU A 101 10.191 3.997 5.863 1.00 0.00 C ATOM 1472 O LEU A 101 9.569 4.815 6.538 1.00 0.00 O ATOM 1473 CB LEU A 101 9.068 2.313 4.292 1.00 0.00 C ATOM 1474 CG LEU A 101 8.033 3.327 3.799 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.177 3.572 2.296 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.616 2.891 4.176 1.00 0.00 C ATOM 0 H LEU A 101 7.906 2.968 6.761 1.00 0.00 H new ATOM 0 HA LEU A 101 10.507 1.900 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.886 2.280 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.607 1.325 4.295 1.00 0.00 H new ATOM 0 HG LEU A 101 8.221 4.277 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.430 4.296 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.174 3.960 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.031 2.635 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.900 3.629 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.400 1.923 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.537 2.810 5.260 1.00 0.00 H new ATOM 1488 N GLY A 102 11.338 4.247 5.250 1.00 0.00 N ATOM 1489 CA GLY A 102 11.964 5.555 5.337 1.00 0.00 C ATOM 1490 C GLY A 102 12.575 5.780 6.721 1.00 0.00 C ATOM 1491 O GLY A 102 13.254 4.904 7.254 1.00 0.00 O ATOM 0 H GLY A 102 11.851 3.565 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.739 5.643 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.225 6.330 5.131 1.00 0.00 H new ATOM 1495 N GLU A 103 12.310 6.959 7.265 1.00 0.00 N ATOM 1496 CA GLU A 103 12.825 7.310 8.578 1.00 0.00 C ATOM 1497 C GLU A 103 11.797 6.972 9.659 1.00 0.00 C ATOM 1498 O GLU A 103 12.041 6.115 10.506 1.00 0.00 O ATOM 1499 CB GLU A 103 13.217 8.788 8.636 1.00 0.00 C ATOM 1500 CG GLU A 103 14.164 9.150 7.489 1.00 0.00 C ATOM 1501 CD GLU A 103 15.059 10.330 7.870 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.853 10.157 8.819 1.00 0.00 O ATOM 1503 OE2 GLU A 103 14.930 11.379 7.202 1.00 0.00 O ATOM 0 H GLU A 103 11.746 7.683 6.821 1.00 0.00 H new ATOM 0 HA GLU A 103 13.724 6.722 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.322 9.408 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.697 9.003 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.781 8.288 7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.585 9.400 6.600 1.00 0.00 H new ATOM 1510 N TYR A 104 10.669 7.665 9.595 1.00 0.00 N ATOM 1511 CA TYR A 104 9.603 7.449 10.558 1.00 0.00 C ATOM 1512 C TYR A 104 8.238 7.425 9.868 1.00 0.00 C ATOM 1513 O TYR A 104 7.307 8.103 10.302 1.00 0.00 O ATOM 1514 CB TYR A 104 9.655 8.640 11.518 1.00 0.00 C ATOM 1515 CG TYR A 104 10.929 8.702 12.364 1.00 0.00 C ATOM 1516 CD1 TYR A 104 11.082 7.856 13.444 1.00 0.00 C ATOM 1517 CD2 TYR A 104 11.924 9.604 12.047 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.281 7.915 14.239 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.123 9.662 12.843 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.242 8.815 13.900 1.00 0.00 C ATOM 1521 OH TYR A 104 14.374 8.871 14.651 1.00 0.00 O ATOM 0 H TYR A 104 10.471 8.376 8.891 1.00 0.00 H new ATOM 0 HA TYR A 104 9.734 6.495 11.068 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.568 9.562 10.942 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.792 8.596 12.182 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.303 7.150 13.692 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.804 10.266 11.202 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.414 7.259 15.086 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.910 10.363 12.606 1.00 0.00 H new ATOM 0 HH TYR A 104 14.972 9.559 14.291 1.00 0.00 H new ATOM 1531 N THR A 105 8.161 6.637 8.806 1.00 0.00 N ATOM 1532 CA THR A 105 6.925 6.516 8.052 1.00 0.00 C ATOM 1533 C THR A 105 6.353 5.103 8.189 1.00 0.00 C ATOM 1534 O THR A 105 6.972 4.135 7.750 1.00 0.00 O ATOM 1535 CB THR A 105 7.213 6.917 6.604 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.224 8.342 6.634 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.059 6.573 5.660 1.00 0.00 C ATOM 0 H THR A 105 8.935 6.076 8.450 1.00 0.00 H new ATOM 0 HA THR A 105 6.157 7.183 8.442 1.00 0.00 H new ATOM 0 HB THR A 105 8.121 6.419 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.150 8.663 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.315 6.879 4.646 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.880 5.498 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.158 7.097 5.980 1.00 0.00 H new ATOM 1545 N SER A 106 5.180 5.031 8.799 1.00 0.00 N ATOM 1546 CA SER A 106 4.518 3.753 8.999 1.00 0.00 C ATOM 1547 C SER A 106 3.200 3.719 8.222 1.00 0.00 C ATOM 1548 O SER A 106 2.432 4.679 8.254 1.00 0.00 O ATOM 1549 CB SER A 106 4.265 3.490 10.485 1.00 0.00 C ATOM 1550 OG SER A 106 5.466 3.551 11.249 1.00 0.00 O ATOM 0 H SER A 106 4.670 5.837 9.162 1.00 0.00 H new ATOM 0 HA SER A 106 5.173 2.966 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.554 4.223 10.867 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.807 2.508 10.607 1.00 0.00 H new ATOM 0 HG SER A 106 5.263 3.380 12.192 1.00 0.00 H new ATOM 1556 N ILE A 107 2.979 2.603 7.543 1.00 0.00 N ATOM 1557 CA ILE A 107 1.768 2.431 6.759 1.00 0.00 C ATOM 1558 C ILE A 107 1.001 1.212 7.275 1.00 0.00 C ATOM 1559 O ILE A 107 1.579 0.142 7.458 1.00 0.00 O ATOM 1560 CB ILE A 107 2.100 2.363 5.267 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.059 3.486 4.867 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.825 2.370 4.421 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.478 3.353 3.402 1.00 0.00 C ATOM 0 H ILE A 107 3.618 1.809 7.520 1.00 0.00 H new ATOM 0 HA ILE A 107 1.112 3.294 6.876 1.00 0.00 H new ATOM 0 HB ILE A 107 2.610 1.419 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.580 4.452 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.942 3.460 5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.089 2.321 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.211 1.508 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.266 3.286 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.159 4.163 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.978 2.396 3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.595 3.404 2.765 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.290 1.414 7.494 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.142 0.345 7.985 1.00 0.00 C ATOM 1577 C LEU A 108 -1.858 -0.314 6.804 1.00 0.00 C ATOM 1578 O LEU A 108 -2.230 0.360 5.845 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.092 0.868 9.065 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.345 -0.069 10.248 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -2.807 0.714 11.478 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.330 -1.176 9.869 1.00 0.00 C ATOM 0 H LEU A 108 -0.767 2.303 7.340 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.543 -0.427 8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.692 1.806 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.050 1.098 8.598 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.403 -0.552 10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.980 0.025 12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.039 1.434 11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.732 1.242 11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.492 -1.828 10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.278 -0.731 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.922 -1.759 9.043 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.029 -1.624 6.913 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.693 -2.381 5.866 1.00 0.00 C ATOM 1596 C VAL A 109 -4.062 -2.844 6.368 1.00 0.00 C ATOM 1597 O VAL A 109 -4.148 -3.664 7.281 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.801 -3.537 5.410 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.557 -4.473 4.464 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.519 -3.016 4.757 1.00 0.00 C ATOM 0 H VAL A 109 -1.719 -2.180 7.710 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.863 -1.754 4.990 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.518 -4.110 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.900 -5.286 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.426 -4.884 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.884 -3.916 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.097 -3.858 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.774 -2.408 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.034 -2.410 5.474 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.099 -2.299 5.748 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.460 -2.647 6.121 1.00 0.00 C ATOM 1612 C ASN A 110 -7.201 -3.180 4.893 1.00 0.00 C ATOM 1613 O ASN A 110 -7.134 -2.586 3.817 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.220 -1.422 6.636 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.235 -1.391 8.166 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -6.056 -1.650 8.724 1.00 0.00 O flip ATOM 1617 ND2 ASN A 110 -8.250 -1.146 8.798 1.00 0.00 N flip ATOM 0 H ASN A 110 -5.024 -1.620 4.991 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.412 -3.400 6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.754 -0.513 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.242 -1.438 6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.123 -0.956 8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.225 -1.132 9.818 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.889 -4.293 5.094 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.641 -4.913 4.016 1.00 0.00 C ATOM 1626 C PHE A 111 -10.087 -4.412 3.997 1.00 0.00 C ATOM 1627 O PHE A 111 -10.887 -4.783 4.855 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.640 -6.420 4.278 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.289 -7.094 4.028 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.521 -6.707 2.974 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.855 -8.078 4.860 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.267 -7.332 2.742 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.602 -8.703 4.628 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.834 -8.317 3.574 1.00 0.00 C ATOM 0 H PHE A 111 -7.942 -4.782 5.987 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.186 -4.667 3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.938 -6.599 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.392 -6.889 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.865 -5.925 2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.464 -8.384 5.698 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.657 -7.025 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.258 -9.485 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.880 -8.793 3.398 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.378 -3.577 3.011 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.713 -3.022 2.869 1.00 0.00 C ATOM 1646 C VAL A 112 -12.532 -3.908 1.929 1.00 0.00 C ATOM 1647 O VAL A 112 -12.308 -3.909 0.719 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.628 -1.568 2.399 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.010 -0.911 2.399 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.642 -0.772 3.256 1.00 0.00 C ATOM 0 H VAL A 112 -9.712 -3.271 2.302 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.226 -3.009 3.831 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.257 -1.568 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -12.922 0.122 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.673 -1.457 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.421 -0.929 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.600 0.258 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.971 -0.785 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.652 -1.221 3.183 1.00 0.00 H new