USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 96 LYS NZ :NH3+ -140:sc= 0.964 (180deg=-0.0206) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.2! C(o=-0.23!,f=-6.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.53) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.0038) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0.139 USER MOD Single : A 81 THR OG1 : rot 40:sc= 0.0846 USER MOD Single : A 87 LYS NZ :NH3+ -140:sc= -0.685 (180deg=-1.64) USER MOD Single : A 89 ASN : amide:sc= -4.06! C(o=-4.1!,f=-5.2!) USER MOD Single : A 92 SER OG : rot 180:sc=-0.00637 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.33) USER MOD Single : A 108 SER OG : rot 117:sc= -2.55 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 115 SER OG : rot -52:sc= -0.86 USER MOD Single : A 117 MET CE :methyl 144:sc= -1.91 (180deg=-3.62!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.141 -11.505 6.046 1.00 0.00 N ATOM 70 CA PRO A 9 -10.877 -10.882 5.689 1.00 0.00 C ATOM 71 C PRO A 9 -9.873 -10.982 6.839 1.00 0.00 C ATOM 72 O PRO A 9 -10.253 -11.244 7.980 1.00 0.00 O ATOM 73 CB PRO A 9 -11.232 -9.447 5.334 1.00 0.00 C ATOM 74 CG PRO A 9 -12.599 -9.191 5.948 1.00 0.00 C ATOM 75 CD PRO A 9 -13.190 -10.534 6.344 1.00 0.00 C ATOM 0 HA PRO A 9 -10.386 -11.376 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.490 -8.752 5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.257 -9.307 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.511 -8.541 6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.249 -8.683 5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.458 -10.552 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.099 -10.748 5.781 1.00 0.00 H new ATOM 80 N LYS A 10 -8.610 -10.765 6.501 1.00 0.00 N ATOM 81 CA LYS A 10 -7.549 -10.828 7.491 1.00 0.00 C ATOM 82 C LYS A 10 -7.355 -9.444 8.112 1.00 0.00 C ATOM 83 O LYS A 10 -7.538 -8.427 7.444 1.00 0.00 O ATOM 84 CB LYS A 10 -6.276 -11.409 6.874 1.00 0.00 C ATOM 85 CG LYS A 10 -5.074 -11.203 7.800 1.00 0.00 C ATOM 86 CD LYS A 10 -5.060 -12.246 8.921 1.00 0.00 C ATOM 87 CE LYS A 10 -3.627 -12.641 9.283 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.625 -13.842 10.149 1.00 0.00 N ATOM 0 H LYS A 10 -8.298 -10.545 5.555 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.822 -11.505 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.414 -12.473 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.084 -10.934 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.151 -11.270 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.109 -10.202 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.564 -11.847 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.617 -13.129 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.057 -12.839 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.134 -11.815 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.645 -14.097 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.151 -13.641 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.077 -14.633 9.647 1.00 0.00 H new ATOM 98 N THR A 11 -6.986 -9.447 9.384 1.00 0.00 N ATOM 99 CA THR A 11 -6.765 -8.205 10.104 1.00 0.00 C ATOM 100 C THR A 11 -5.478 -8.287 10.928 1.00 0.00 C ATOM 101 O THR A 11 -5.235 -9.282 11.609 1.00 0.00 O ATOM 102 CB THR A 11 -8.009 -7.918 10.947 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.086 -8.017 10.020 1.00 0.00 O ATOM 104 CG2 THR A 11 -8.067 -6.468 11.432 1.00 0.00 C ATOM 0 H THR A 11 -6.834 -10.292 9.935 1.00 0.00 H new ATOM 0 HA THR A 11 -6.621 -7.371 9.417 1.00 0.00 H new ATOM 0 HB THR A 11 -8.028 -8.589 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.933 -7.846 10.483 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.969 -6.319 12.025 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.191 -6.254 12.044 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.082 -5.797 10.573 1.00 0.00 H new ATOM 112 N VAL A 12 -4.688 -7.227 10.840 1.00 0.00 N ATOM 113 CA VAL A 12 -3.432 -7.166 11.568 1.00 0.00 C ATOM 114 C VAL A 12 -3.246 -5.758 12.138 1.00 0.00 C ATOM 115 O VAL A 12 -3.621 -4.773 11.503 1.00 0.00 O ATOM 116 CB VAL A 12 -2.280 -7.602 10.662 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.112 -9.123 10.682 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.482 -7.092 9.234 1.00 0.00 C ATOM 0 H VAL A 12 -4.894 -6.403 10.275 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.444 -7.858 12.410 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.363 -7.158 11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.286 -9.406 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.900 -9.452 11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.030 -9.595 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.649 -7.416 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.413 -7.493 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.529 -6.003 9.240 1.00 0.00 H new ATOM 128 N THR A 13 -2.665 -5.708 13.328 1.00 0.00 N ATOM 129 CA THR A 13 -2.424 -4.437 13.989 1.00 0.00 C ATOM 130 C THR A 13 -0.923 -4.217 14.191 1.00 0.00 C ATOM 131 O THR A 13 -0.178 -5.170 14.413 1.00 0.00 O ATOM 132 CB THR A 13 -3.222 -4.425 15.295 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.561 -4.687 14.886 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.290 -3.034 15.927 1.00 0.00 C ATOM 0 H THR A 13 -2.354 -6.527 13.851 1.00 0.00 H new ATOM 0 HA THR A 13 -2.763 -3.602 13.376 1.00 0.00 H new ATOM 0 HB THR A 13 -2.772 -5.122 16.002 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.147 -4.699 15.672 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.867 -3.082 16.850 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.281 -2.685 16.147 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.770 -2.343 15.234 1.00 0.00 H new ATOM 142 N LEU A 14 -0.526 -2.956 14.109 1.00 0.00 N ATOM 143 CA LEU A 14 0.872 -2.599 14.279 1.00 0.00 C ATOM 144 C LEU A 14 0.984 -1.486 15.322 1.00 0.00 C ATOM 145 O LEU A 14 0.006 -0.798 15.610 1.00 0.00 O ATOM 146 CB LEU A 14 1.503 -2.247 12.932 1.00 0.00 C ATOM 147 CG LEU A 14 1.655 -3.402 11.940 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.361 -3.625 11.155 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.854 -3.178 11.016 1.00 0.00 C ATOM 0 H LEU A 14 -1.148 -2.168 13.927 1.00 0.00 H new ATOM 0 HA LEU A 14 1.440 -3.449 14.656 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.901 -1.469 12.463 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.489 -1.820 13.116 1.00 0.00 H new ATOM 0 HG LEU A 14 1.850 -4.313 12.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.497 -4.451 10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.448 -3.863 11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.111 -2.720 10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.939 -4.014 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.714 -2.253 10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.764 -3.107 11.612 1.00 0.00 H new ATOM 160 N LYS A 15 2.188 -1.342 15.859 1.00 0.00 N ATOM 161 CA LYS A 15 2.441 -0.322 16.863 1.00 0.00 C ATOM 162 C LYS A 15 3.586 0.578 16.392 1.00 0.00 C ATOM 163 O LYS A 15 4.647 0.088 16.008 1.00 0.00 O ATOM 164 CB LYS A 15 2.688 -0.966 18.229 1.00 0.00 C ATOM 165 CG LYS A 15 1.432 -1.681 18.733 1.00 0.00 C ATOM 166 CD LYS A 15 0.970 -1.099 20.070 1.00 0.00 C ATOM 167 CE LYS A 15 0.248 -2.159 20.908 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.701 -2.924 20.071 1.00 0.00 N ATOM 0 H LYS A 15 2.997 -1.914 15.618 1.00 0.00 H new ATOM 0 HA LYS A 15 1.565 0.315 16.989 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.511 -1.677 18.156 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.989 -0.202 18.946 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.635 -1.586 17.996 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.636 -2.746 18.847 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.829 -0.717 20.621 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.304 -0.254 19.893 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.976 -2.836 21.354 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.286 -1.680 21.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.427 -3.357 20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.155 -2.284 19.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.189 -3.670 19.558 1.00 0.00 H new ATOM 178 N ARG A 16 3.332 1.877 16.437 1.00 0.00 N ATOM 179 CA ARG A 16 4.328 2.850 16.020 1.00 0.00 C ATOM 180 C ARG A 16 5.686 2.518 16.643 1.00 0.00 C ATOM 181 O ARG A 16 5.869 2.657 17.852 1.00 0.00 O ATOM 182 CB ARG A 16 3.919 4.266 16.430 1.00 0.00 C ATOM 183 CG ARG A 16 4.939 5.295 15.935 1.00 0.00 C ATOM 184 CD ARG A 16 4.242 6.478 15.262 1.00 0.00 C ATOM 185 NE ARG A 16 5.046 7.708 15.442 1.00 0.00 N ATOM 186 CZ ARG A 16 4.879 8.826 14.723 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.936 8.878 13.772 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.656 9.895 14.956 1.00 0.00 N ATOM 0 H ARG A 16 2.451 2.279 16.756 1.00 0.00 H new ATOM 0 HA ARG A 16 4.402 2.806 14.933 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.935 4.497 16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.835 4.325 17.515 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.538 5.650 16.773 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.624 4.823 15.231 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.106 6.275 14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.249 6.617 15.689 1.00 0.00 H new ATOM 0 HE ARG A 16 5.772 7.704 16.158 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.345 8.066 13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.810 9.730 13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.373 9.856 15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.529 10.746 14.409 1.00 0.00 H new ATOM 264 N GLY A 22 7.306 -1.286 10.740 1.00 0.00 N ATOM 265 CA GLY A 22 8.156 -2.184 9.977 1.00 0.00 C ATOM 266 C GLY A 22 7.562 -2.457 8.593 1.00 0.00 C ATOM 267 O GLY A 22 6.784 -1.654 8.078 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.149 -1.748 9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.276 -3.123 10.517 1.00 0.00 H new ATOM 271 N PHE A 23 7.951 -3.591 8.029 1.00 0.00 N ATOM 272 CA PHE A 23 7.467 -3.979 6.717 1.00 0.00 C ATOM 273 C PHE A 23 7.544 -2.809 5.734 1.00 0.00 C ATOM 274 O PHE A 23 7.945 -1.707 6.107 1.00 0.00 O ATOM 275 CB PHE A 23 6.003 -4.393 6.883 1.00 0.00 C ATOM 276 CG PHE A 23 5.036 -3.216 7.027 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.609 -2.547 5.922 1.00 0.00 C ATOM 278 CD2 PHE A 23 4.604 -2.838 8.259 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.712 -1.455 6.056 1.00 0.00 C ATOM 280 CE2 PHE A 23 3.707 -1.747 8.394 1.00 0.00 C ATOM 281 CZ PHE A 23 3.279 -1.077 7.289 1.00 0.00 C ATOM 0 H PHE A 23 8.597 -4.254 8.458 1.00 0.00 H new ATOM 0 HA PHE A 23 8.078 -4.791 6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.705 -4.991 6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.914 -5.032 7.761 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.952 -2.847 4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.944 -3.369 9.136 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.373 -0.924 5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.364 -1.448 9.373 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.596 -0.246 7.391 1.00 0.00 H new ATOM 290 N THR A 24 7.153 -3.085 4.499 1.00 0.00 N ATOM 291 CA THR A 24 7.174 -2.068 3.462 1.00 0.00 C ATOM 292 C THR A 24 6.222 -2.447 2.325 1.00 0.00 C ATOM 293 O THR A 24 5.825 -3.605 2.202 1.00 0.00 O ATOM 294 CB THR A 24 8.623 -1.887 3.006 1.00 0.00 C ATOM 295 OG1 THR A 24 8.517 -1.118 1.810 1.00 0.00 O ATOM 296 CG2 THR A 24 9.262 -3.200 2.549 1.00 0.00 C ATOM 0 H THR A 24 6.820 -3.999 4.193 1.00 0.00 H new ATOM 0 HA THR A 24 6.815 -1.110 3.840 1.00 0.00 H new ATOM 0 HB THR A 24 9.209 -1.463 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.412 -0.953 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.290 -3.015 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.257 -3.913 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.696 -3.608 1.712 1.00 0.00 H new ATOM 304 N LEU A 25 5.883 -1.448 1.522 1.00 0.00 N ATOM 305 CA LEU A 25 4.986 -1.662 0.400 1.00 0.00 C ATOM 306 C LEU A 25 5.759 -1.480 -0.908 1.00 0.00 C ATOM 307 O LEU A 25 6.897 -1.013 -0.900 1.00 0.00 O ATOM 308 CB LEU A 25 3.757 -0.761 0.518 1.00 0.00 C ATOM 309 CG LEU A 25 2.957 -0.881 1.816 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.827 -2.345 2.245 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.566 -0.014 2.919 1.00 0.00 C ATOM 0 H LEU A 25 6.214 -0.489 1.627 1.00 0.00 H new ATOM 0 HA LEU A 25 4.606 -2.683 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.079 0.275 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.091 -0.978 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 25 1.950 -0.507 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.254 -2.403 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.315 -2.909 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.819 -2.767 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.977 -0.118 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.590 -0.334 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.565 1.029 2.604 1.00 0.00 H new ATOM 322 N ARG A 26 5.110 -1.858 -1.999 1.00 0.00 N ATOM 323 CA ARG A 26 5.723 -1.743 -3.312 1.00 0.00 C ATOM 324 C ARG A 26 4.645 -1.641 -4.393 1.00 0.00 C ATOM 325 O ARG A 26 3.561 -2.203 -4.249 1.00 0.00 O ATOM 326 CB ARG A 26 6.621 -2.946 -3.608 1.00 0.00 C ATOM 327 CG ARG A 26 8.094 -2.534 -3.645 1.00 0.00 C ATOM 328 CD ARG A 26 8.601 -2.442 -5.086 1.00 0.00 C ATOM 329 NE ARG A 26 10.029 -2.048 -5.094 1.00 0.00 N ATOM 330 CZ ARG A 26 10.753 -1.878 -6.209 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.191 -2.066 -7.410 1.00 0.00 N ATOM 332 NH2 ARG A 26 12.041 -1.520 -6.121 1.00 0.00 N ATOM 0 H ARG A 26 4.166 -2.244 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 26 6.333 -0.840 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.473 -3.711 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.339 -3.388 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.219 -1.571 -3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.692 -3.257 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.477 -3.402 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.011 -1.714 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 26 10.489 -1.897 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.211 -2.339 -7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.743 -1.936 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.469 -1.377 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.593 -1.390 -6.969 1.00 0.00 H new ATOM 862 N ILE A 63 -1.428 -3.161 -2.873 1.00 0.00 N ATOM 863 CA ILE A 63 -0.336 -2.835 -1.970 1.00 0.00 C ATOM 864 C ILE A 63 0.317 -4.130 -1.480 1.00 0.00 C ATOM 865 O ILE A 63 -0.085 -4.683 -0.458 1.00 0.00 O ATOM 866 CB ILE A 63 -0.826 -1.928 -0.841 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.284 -0.573 -1.385 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.241 -1.778 0.245 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.789 -0.384 -1.191 1.00 0.00 C ATOM 0 HA ILE A 63 0.433 -2.266 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.693 -2.399 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.745 0.227 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.039 -0.501 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.134 -1.128 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.477 -2.757 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.141 -1.342 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.088 0.587 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.326 -1.172 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.028 -0.432 -0.129 1.00 0.00 H new ATOM 880 N PHE A 64 1.313 -4.575 -2.232 1.00 0.00 N ATOM 881 CA PHE A 64 2.024 -5.794 -1.887 1.00 0.00 C ATOM 882 C PHE A 64 3.102 -5.519 -0.835 1.00 0.00 C ATOM 883 O PHE A 64 3.895 -4.590 -0.981 1.00 0.00 O ATOM 884 CB PHE A 64 2.693 -6.298 -3.166 1.00 0.00 C ATOM 885 CG PHE A 64 1.710 -6.656 -4.283 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.753 -7.598 -4.069 1.00 0.00 C ATOM 887 CD2 PHE A 64 1.794 -6.033 -5.488 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.159 -7.931 -5.107 1.00 0.00 C ATOM 889 CE2 PHE A 64 0.883 -6.366 -6.525 1.00 0.00 C ATOM 890 CZ PHE A 64 -0.075 -7.308 -6.312 1.00 0.00 C ATOM 0 H PHE A 64 1.644 -4.113 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 64 1.330 -6.527 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.379 -5.533 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.293 -7.177 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.686 -8.093 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.554 -5.284 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.919 -8.679 -4.938 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.951 -5.871 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.769 -7.561 -7.100 1.00 0.00 H new ATOM 899 N VAL A 65 3.097 -6.346 0.200 1.00 0.00 N ATOM 900 CA VAL A 65 4.063 -6.204 1.275 1.00 0.00 C ATOM 901 C VAL A 65 5.446 -6.621 0.770 1.00 0.00 C ATOM 902 O VAL A 65 5.762 -7.810 0.724 1.00 0.00 O ATOM 903 CB VAL A 65 3.609 -7.002 2.498 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.744 -7.146 3.514 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.375 -6.365 3.141 1.00 0.00 C ATOM 0 H VAL A 65 2.439 -7.117 0.317 1.00 0.00 H new ATOM 0 HA VAL A 65 4.131 -5.163 1.591 1.00 0.00 H new ATOM 0 HB VAL A 65 3.334 -8.001 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.393 -7.718 4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.583 -7.665 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.066 -6.158 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.073 -6.952 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.612 -5.349 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.560 -6.340 2.418 1.00 0.00 H new ATOM 915 N LYS A 66 6.234 -5.622 0.403 1.00 0.00 N ATOM 916 CA LYS A 66 7.576 -5.871 -0.097 1.00 0.00 C ATOM 917 C LYS A 66 8.261 -6.912 0.789 1.00 0.00 C ATOM 918 O LYS A 66 8.766 -7.917 0.294 1.00 0.00 O ATOM 919 CB LYS A 66 8.354 -4.559 -0.219 1.00 0.00 C ATOM 920 CG LYS A 66 9.861 -4.804 -0.123 1.00 0.00 C ATOM 921 CD LYS A 66 10.329 -5.773 -1.211 1.00 0.00 C ATOM 922 CE LYS A 66 11.721 -5.395 -1.720 1.00 0.00 C ATOM 923 NZ LYS A 66 12.570 -6.599 -1.850 1.00 0.00 N ATOM 0 H LYS A 66 5.969 -4.638 0.442 1.00 0.00 H new ATOM 0 HA LYS A 66 7.536 -6.286 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.120 -4.080 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.043 -3.873 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.394 -3.858 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.106 -5.209 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.346 -6.789 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.620 -5.765 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.638 -4.895 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.186 -4.687 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.511 -6.324 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.664 -7.060 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.133 -7.261 -2.523 1.00 0.00 H new ATOM 933 N GLN A 67 8.255 -6.635 2.085 1.00 0.00 N ATOM 934 CA GLN A 67 8.870 -7.536 3.045 1.00 0.00 C ATOM 935 C GLN A 67 8.315 -7.277 4.447 1.00 0.00 C ATOM 936 O GLN A 67 7.438 -6.433 4.624 1.00 0.00 O ATOM 937 CB GLN A 67 10.394 -7.400 3.026 1.00 0.00 C ATOM 938 CG GLN A 67 11.022 -8.416 2.070 1.00 0.00 C ATOM 939 CD GLN A 67 12.097 -9.244 2.777 1.00 0.00 C ATOM 940 OE1 GLN A 67 11.836 -9.962 3.729 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.315 -9.106 2.261 1.00 0.00 N ATOM 0 H GLN A 67 7.834 -5.800 2.492 1.00 0.00 H new ATOM 0 HA GLN A 67 8.625 -8.560 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.669 -6.390 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.789 -7.548 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.249 -9.077 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.460 -7.896 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.464 -8.488 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.100 -9.618 2.663 1.00 0.00 H new ATOM 948 N VAL A 68 8.849 -8.019 5.406 1.00 0.00 N ATOM 949 CA VAL A 68 8.417 -7.880 6.787 1.00 0.00 C ATOM 950 C VAL A 68 9.640 -7.915 7.705 1.00 0.00 C ATOM 951 O VAL A 68 10.289 -8.952 7.843 1.00 0.00 O ATOM 952 CB VAL A 68 7.386 -8.958 7.124 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.127 -9.018 8.630 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.084 -8.733 6.352 1.00 0.00 C ATOM 0 H VAL A 68 9.576 -8.718 5.255 1.00 0.00 H new ATOM 0 HA VAL A 68 7.924 -6.920 6.938 1.00 0.00 H new ATOM 0 HB VAL A 68 7.796 -9.920 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.390 -9.793 8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.057 -9.249 9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.749 -8.055 8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.368 -9.514 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.669 -7.760 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.286 -8.765 5.281 1.00 0.00 H new ATOM 964 N LYS A 69 9.919 -6.769 8.310 1.00 0.00 N ATOM 965 CA LYS A 69 11.053 -6.657 9.211 1.00 0.00 C ATOM 966 C LYS A 69 11.064 -7.853 10.164 1.00 0.00 C ATOM 967 O LYS A 69 10.064 -8.134 10.824 1.00 0.00 O ATOM 968 CB LYS A 69 11.039 -5.304 9.924 1.00 0.00 C ATOM 969 CG LYS A 69 12.460 -4.816 10.208 1.00 0.00 C ATOM 970 CD LYS A 69 12.483 -3.309 10.467 1.00 0.00 C ATOM 971 CE LYS A 69 13.919 -2.796 10.602 1.00 0.00 C ATOM 972 NZ LYS A 69 14.431 -2.336 9.293 1.00 0.00 N ATOM 0 H LYS A 69 9.380 -5.911 8.194 1.00 0.00 H new ATOM 0 HA LYS A 69 11.988 -6.687 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.516 -4.571 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.486 -5.388 10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.863 -5.343 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.105 -5.053 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.983 -2.789 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.926 -3.084 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.953 -1.977 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.559 -3.588 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.406 -1.991 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.417 -3.127 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.830 -1.566 8.936 1.00 0.00 H new ATOM 982 N GLU A 70 12.204 -8.527 10.205 1.00 0.00 N ATOM 983 CA GLU A 70 12.357 -9.687 11.066 1.00 0.00 C ATOM 984 C GLU A 70 12.446 -9.253 12.531 1.00 0.00 C ATOM 985 O GLU A 70 13.538 -9.025 13.049 1.00 0.00 O ATOM 986 CB GLU A 70 13.581 -10.511 10.664 1.00 0.00 C ATOM 987 CG GLU A 70 13.436 -11.966 11.112 1.00 0.00 C ATOM 988 CD GLU A 70 14.310 -12.253 12.335 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.096 -11.568 13.358 1.00 0.00 O ATOM 990 OE2 GLU A 70 15.172 -13.151 12.219 1.00 0.00 O ATOM 0 H GLU A 70 13.031 -8.292 9.656 1.00 0.00 H new ATOM 0 HA GLU A 70 11.478 -10.321 10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.711 -10.471 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.477 -10.078 11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.393 -12.175 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.717 -12.631 10.296 1.00 0.00 H new ATOM 995 N GLY A 71 11.282 -9.153 13.157 1.00 0.00 N ATOM 996 CA GLY A 71 11.215 -8.750 14.552 1.00 0.00 C ATOM 997 C GLY A 71 10.522 -7.393 14.697 1.00 0.00 C ATOM 998 O GLY A 71 10.745 -6.680 15.674 1.00 0.00 O ATOM 0 H GLY A 71 10.378 -9.344 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.674 -9.502 15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.221 -8.695 14.967 1.00 0.00 H new ATOM 1002 N GLY A 72 9.694 -7.079 13.711 1.00 0.00 N ATOM 1003 CA GLY A 72 8.968 -5.822 13.717 1.00 0.00 C ATOM 1004 C GLY A 72 7.528 -6.022 14.198 1.00 0.00 C ATOM 1005 O GLY A 72 7.181 -7.089 14.702 1.00 0.00 O ATOM 0 H GLY A 72 9.510 -7.674 12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.476 -5.108 14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.964 -5.395 12.714 1.00 0.00 H new ATOM 1009 N PRO A 73 6.707 -4.952 14.019 1.00 0.00 N ATOM 1010 CA PRO A 73 5.314 -5.001 14.428 1.00 0.00 C ATOM 1011 C PRO A 73 4.487 -5.841 13.455 1.00 0.00 C ATOM 1012 O PRO A 73 3.611 -6.599 13.872 1.00 0.00 O ATOM 1013 CB PRO A 73 4.870 -3.548 14.484 1.00 0.00 C ATOM 1014 CG PRO A 73 5.884 -2.770 13.662 1.00 0.00 C ATOM 1015 CD PRO A 73 7.084 -3.672 13.426 1.00 0.00 C ATOM 0 HA PRO A 73 5.176 -5.484 15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.865 -3.431 14.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.842 -3.188 15.512 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.448 -2.459 12.713 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.185 -1.863 14.187 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.298 -3.776 12.362 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.982 -3.268 13.894 1.00 0.00 H new ATOM 1020 N ALA A 74 4.792 -5.680 12.176 1.00 0.00 N ATOM 1021 CA ALA A 74 4.087 -6.415 11.139 1.00 0.00 C ATOM 1022 C ALA A 74 4.423 -7.904 11.257 1.00 0.00 C ATOM 1023 O ALA A 74 3.528 -8.748 11.253 1.00 0.00 O ATOM 1024 CB ALA A 74 4.451 -5.842 9.769 1.00 0.00 C ATOM 0 H ALA A 74 5.518 -5.051 11.834 1.00 0.00 H new ATOM 0 HA ALA A 74 3.009 -6.310 11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.922 -6.394 8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.165 -4.791 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.526 -5.932 9.611 1.00 0.00 H new ATOM 1030 N PHE A 75 5.715 -8.179 11.359 1.00 0.00 N ATOM 1031 CA PHE A 75 6.179 -9.550 11.478 1.00 0.00 C ATOM 1032 C PHE A 75 5.429 -10.290 12.587 1.00 0.00 C ATOM 1033 O PHE A 75 5.038 -11.443 12.413 1.00 0.00 O ATOM 1034 CB PHE A 75 7.666 -9.489 11.837 1.00 0.00 C ATOM 1035 CG PHE A 75 8.177 -10.725 12.579 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.171 -11.938 11.964 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.641 -10.610 13.852 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.646 -13.086 12.653 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.117 -11.758 14.540 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.109 -12.972 13.926 1.00 0.00 C ATOM 0 H PHE A 75 6.454 -7.476 11.362 1.00 0.00 H new ATOM 0 HA PHE A 75 6.007 -10.083 10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.245 -9.361 10.923 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.845 -8.608 12.453 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.805 -12.029 10.952 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.648 -9.646 14.340 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.639 -14.050 12.165 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.485 -11.667 15.551 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.470 -13.845 14.450 1.00 0.00 H new ATOM 1049 N GLU A 76 5.251 -9.597 13.701 1.00 0.00 N ATOM 1050 CA GLU A 76 4.554 -10.173 14.838 1.00 0.00 C ATOM 1051 C GLU A 76 3.077 -10.387 14.503 1.00 0.00 C ATOM 1052 O GLU A 76 2.554 -11.490 14.664 1.00 0.00 O ATOM 1053 CB GLU A 76 4.713 -9.295 16.082 1.00 0.00 C ATOM 1054 CG GLU A 76 6.190 -9.046 16.392 1.00 0.00 C ATOM 1055 CD GLU A 76 6.624 -9.815 17.642 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.884 -11.030 17.500 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.685 -9.171 18.712 1.00 0.00 O ATOM 0 H GLU A 76 5.578 -8.641 13.841 1.00 0.00 H new ATOM 0 HA GLU A 76 5.000 -11.143 15.059 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.205 -8.343 15.927 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.235 -9.777 16.935 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.800 -9.352 15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.360 -7.979 16.539 1.00 0.00 H new ATOM 1062 N ALA A 77 2.447 -9.317 14.042 1.00 0.00 N ATOM 1063 CA ALA A 77 1.039 -9.374 13.683 1.00 0.00 C ATOM 1064 C ALA A 77 0.772 -10.655 12.889 1.00 0.00 C ATOM 1065 O ALA A 77 -0.340 -11.179 12.906 1.00 0.00 O ATOM 1066 CB ALA A 77 0.661 -8.115 12.901 1.00 0.00 C ATOM 0 H ALA A 77 2.885 -8.405 13.909 1.00 0.00 H new ATOM 0 HA ALA A 77 0.415 -9.403 14.576 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.394 -8.157 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.843 -7.235 13.518 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.264 -8.054 11.995 1.00 0.00 H new ATOM 1072 N GLY A 78 1.811 -11.123 12.213 1.00 0.00 N ATOM 1073 CA GLY A 78 1.703 -12.332 11.415 1.00 0.00 C ATOM 1074 C GLY A 78 1.730 -12.008 9.920 1.00 0.00 C ATOM 1075 O GLY A 78 1.526 -12.888 9.086 1.00 0.00 O ATOM 0 H GLY A 78 2.733 -10.686 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.523 -13.007 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.778 -12.853 11.661 1.00 0.00 H new ATOM 1079 N LEU A 79 1.985 -10.740 9.628 1.00 0.00 N ATOM 1080 CA LEU A 79 2.042 -10.288 8.248 1.00 0.00 C ATOM 1081 C LEU A 79 3.064 -11.131 7.482 1.00 0.00 C ATOM 1082 O LEU A 79 3.915 -11.780 8.085 1.00 0.00 O ATOM 1083 CB LEU A 79 2.316 -8.785 8.188 1.00 0.00 C ATOM 1084 CG LEU A 79 1.587 -8.014 7.085 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.172 -7.631 7.528 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.398 -6.794 6.640 1.00 0.00 C ATOM 0 H LEU A 79 2.154 -10.013 10.323 1.00 0.00 H new ATOM 0 HA LEU A 79 1.079 -10.432 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.046 -8.348 9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.388 -8.636 8.060 1.00 0.00 H new ATOM 0 HG LEU A 79 1.488 -8.668 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.325 -7.084 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.395 -8.534 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.227 -7.002 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.857 -6.264 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.550 -6.128 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.365 -7.120 6.257 1.00 0.00 H new ATOM 1097 N CYS A 80 2.944 -11.092 6.162 1.00 0.00 N ATOM 1098 CA CYS A 80 3.846 -11.843 5.307 1.00 0.00 C ATOM 1099 C CYS A 80 4.292 -10.934 4.161 1.00 0.00 C ATOM 1100 O CYS A 80 4.002 -9.739 4.165 1.00 0.00 O ATOM 1101 CB CYS A 80 3.200 -13.132 4.795 1.00 0.00 C ATOM 1102 SG CYS A 80 4.439 -14.476 4.741 1.00 0.00 S ATOM 0 H CYS A 80 2.236 -10.552 5.665 1.00 0.00 H new ATOM 0 HA CYS A 80 4.718 -12.155 5.882 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.372 -13.416 5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.784 -12.970 3.801 1.00 0.00 H new ATOM 0 HG CYS A 80 3.879 -15.566 4.307 1.00 0.00 H new ATOM 1107 N THR A 81 4.991 -11.533 3.208 1.00 0.00 N ATOM 1108 CA THR A 81 5.479 -10.793 2.058 1.00 0.00 C ATOM 1109 C THR A 81 4.617 -11.085 0.829 1.00 0.00 C ATOM 1110 O THR A 81 4.269 -12.236 0.569 1.00 0.00 O ATOM 1111 CB THR A 81 6.954 -11.143 1.862 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.974 -12.566 1.843 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.811 -10.774 3.077 1.00 0.00 C ATOM 0 H THR A 81 5.231 -12.524 3.209 1.00 0.00 H new ATOM 0 HA THR A 81 5.404 -9.718 2.220 1.00 0.00 H new ATOM 0 HB THR A 81 7.334 -10.628 0.980 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.197 -12.897 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.850 -11.044 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.742 -9.701 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.452 -11.314 3.953 1.00 0.00 H new ATOM 1121 N GLY A 82 4.295 -10.023 0.104 1.00 0.00 N ATOM 1122 CA GLY A 82 3.480 -10.152 -1.091 1.00 0.00 C ATOM 1123 C GLY A 82 1.989 -10.113 -0.745 1.00 0.00 C ATOM 1124 O GLY A 82 1.148 -10.482 -1.564 1.00 0.00 O ATOM 0 H GLY A 82 4.584 -9.069 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.717 -9.346 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.715 -11.089 -1.597 1.00 0.00 H new ATOM 1128 N ASP A 83 1.707 -9.661 0.468 1.00 0.00 N ATOM 1129 CA ASP A 83 0.334 -9.569 0.932 1.00 0.00 C ATOM 1130 C ASP A 83 -0.289 -8.273 0.411 1.00 0.00 C ATOM 1131 O ASP A 83 0.344 -7.218 0.440 1.00 0.00 O ATOM 1132 CB ASP A 83 0.270 -9.543 2.459 1.00 0.00 C ATOM 1133 CG ASP A 83 0.712 -10.835 3.148 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.034 -11.861 2.922 1.00 0.00 O ATOM 1135 OD2 ASP A 83 1.720 -10.769 3.885 1.00 0.00 O ATOM 0 H ASP A 83 2.407 -9.354 1.144 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.206 -10.441 0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.894 -8.725 2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.753 -9.320 2.761 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.524 -8.393 -0.056 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.241 -7.244 -0.583 1.00 0.00 C ATOM 1141 C ARG A 84 -3.099 -6.606 0.510 1.00 0.00 C ATOM 1142 O ARG A 84 -3.833 -7.299 1.212 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.137 -7.644 -1.757 1.00 0.00 C ATOM 1144 CG ARG A 84 -2.399 -7.490 -3.088 1.00 0.00 C ATOM 1145 CD ARG A 84 -3.134 -8.225 -4.210 1.00 0.00 C ATOM 1146 NE ARG A 84 -4.597 -8.111 -4.019 1.00 0.00 N ATOM 1147 CZ ARG A 84 -5.495 -8.944 -4.562 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.083 -9.957 -5.336 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -6.802 -8.764 -4.333 1.00 0.00 N ATOM 0 H ARG A 84 -2.046 -9.269 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.501 -6.525 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.462 -8.677 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.035 -7.026 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.310 -6.433 -3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.386 -7.882 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.852 -7.806 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.841 -9.275 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.944 -7.349 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.087 -10.093 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.765 -10.592 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.115 -7.992 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.484 -9.399 -4.747 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.978 -5.291 0.622 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.734 -4.551 1.618 1.00 0.00 C ATOM 1162 C ILE A 85 -5.137 -4.267 1.080 1.00 0.00 C ATOM 1163 O ILE A 85 -5.298 -3.912 -0.086 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.972 -3.294 2.043 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.498 -3.610 2.309 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.642 -2.630 3.248 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.351 -4.621 3.448 1.00 0.00 C ATOM 0 H ILE A 85 -2.367 -4.719 0.039 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.854 -5.145 2.524 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.005 -2.579 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.038 -4.007 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.965 -2.693 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.081 -1.739 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.663 -2.349 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.660 -3.328 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.294 -4.828 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.790 -4.211 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.864 -5.545 3.182 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.117 -4.435 1.955 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.502 -4.201 1.583 1.00 0.00 C ATOM 1180 C ILE A 86 -8.079 -3.084 2.455 1.00 0.00 C ATOM 1181 O ILE A 86 -8.816 -2.229 1.969 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.301 -5.503 1.644 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.294 -6.085 3.060 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.792 -6.509 0.609 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.115 -7.375 3.126 1.00 0.00 C ATOM 0 H ILE A 86 -5.979 -4.731 2.921 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.566 -3.863 0.549 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.338 -5.279 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.268 -6.286 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.701 -5.355 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.378 -7.426 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.892 -6.085 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.744 -6.734 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.094 -7.768 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.146 -7.165 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.691 -8.111 2.443 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.720 -3.128 3.729 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.193 -2.131 4.676 1.00 0.00 C ATOM 1198 C LYS A 87 -7.002 -1.560 5.447 1.00 0.00 C ATOM 1199 O LYS A 87 -5.945 -2.188 5.518 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.283 -2.719 5.574 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.491 -3.166 4.750 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.892 -4.601 5.098 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.543 -5.296 3.902 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.216 -6.543 4.328 1.00 0.00 N ATOM 0 H LYS A 87 -7.107 -3.838 4.129 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.661 -1.299 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.883 -3.568 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.594 -1.976 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.330 -2.495 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.256 -3.098 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.012 -5.161 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.584 -4.594 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.266 -4.627 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.787 -5.523 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.055 -7.285 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.829 -6.851 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.237 -6.371 4.424 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.210 -0.376 6.004 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.166 0.285 6.768 1.00 0.00 C ATOM 1216 C VAL A 88 -6.803 1.285 7.734 1.00 0.00 C ATOM 1217 O VAL A 88 -7.611 2.118 7.328 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.154 0.933 5.819 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.111 1.738 6.596 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.485 -0.118 4.931 1.00 0.00 C ATOM 0 H VAL A 88 -8.086 0.143 5.941 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.614 -0.439 7.367 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.696 1.623 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.405 2.188 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.608 2.523 7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.576 1.078 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.771 0.368 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.964 -0.843 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.243 -0.629 4.337 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.414 1.170 8.995 1.00 0.00 N ATOM 1231 CA ASN A 89 -6.938 2.055 10.023 1.00 0.00 C ATOM 1232 C ASN A 89 -8.465 2.080 9.938 1.00 0.00 C ATOM 1233 O ASN A 89 -9.095 3.067 10.318 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.429 3.485 9.831 1.00 0.00 C ATOM 1235 CG ASN A 89 -4.899 3.527 9.831 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.268 4.095 8.953 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.340 2.896 10.858 1.00 0.00 N ATOM 0 H ASN A 89 -5.743 0.478 9.329 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.605 1.682 10.991 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.807 3.886 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.814 4.122 10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.324 2.866 10.947 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.927 2.441 11.558 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.016 0.985 9.437 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.458 0.870 9.297 1.00 0.00 C ATOM 1245 C GLY A 90 -11.026 2.038 8.487 1.00 0.00 C ATOM 1246 O GLY A 90 -12.081 2.574 8.821 1.00 0.00 O ATOM 0 H GLY A 90 -8.490 0.169 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.705 -0.071 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.922 0.847 10.283 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.300 2.398 7.440 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.717 3.493 6.581 1.00 0.00 C ATOM 1252 C GLU A 91 -11.200 2.955 5.232 1.00 0.00 C ATOM 1253 O GLU A 91 -11.667 3.717 4.388 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.585 4.505 6.394 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.768 5.709 7.321 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.036 6.487 6.966 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.460 6.377 5.796 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -11.553 7.175 7.873 1.00 0.00 O ATOM 0 H GLU A 91 -9.425 1.951 7.167 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.547 4.011 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.627 4.027 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.559 4.840 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.822 5.371 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.901 6.366 7.246 1.00 0.00 H new ATOM 1263 N SER A 92 -11.070 1.646 5.073 1.00 0.00 N ATOM 1264 CA SER A 92 -11.486 0.997 3.842 1.00 0.00 C ATOM 1265 C SER A 92 -10.722 1.586 2.654 1.00 0.00 C ATOM 1266 O SER A 92 -11.128 2.602 2.092 1.00 0.00 O ATOM 1267 CB SER A 92 -12.995 1.142 3.626 1.00 0.00 C ATOM 1268 OG SER A 92 -13.356 0.978 2.258 1.00 0.00 O ATOM 0 H SER A 92 -10.682 1.017 5.777 1.00 0.00 H new ATOM 0 HA SER A 92 -11.257 -0.066 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.521 0.403 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.318 2.124 3.971 1.00 0.00 H new ATOM 0 HG SER A 92 -14.326 1.076 2.162 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.629 0.923 2.309 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.803 1.368 1.199 1.00 0.00 C ATOM 1275 C VAL A 93 -9.236 0.641 -0.076 1.00 0.00 C ATOM 1276 O VAL A 93 -8.522 0.659 -1.078 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.323 1.161 1.531 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.970 1.801 2.876 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -6.960 -0.324 1.519 1.00 0.00 C ATOM 0 H VAL A 93 -9.296 0.081 2.778 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.938 2.436 1.027 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.734 1.655 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.913 1.640 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.173 2.871 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.572 1.348 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.903 -0.442 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.561 -0.851 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.157 -0.739 0.530 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.403 0.019 0.002 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.940 -0.712 -1.133 1.00 0.00 C ATOM 1291 C ILE A 94 -11.312 0.275 -2.240 1.00 0.00 C ATOM 1292 O ILE A 94 -12.438 0.767 -2.286 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.099 -1.609 -0.694 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -11.671 -2.543 0.440 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.678 -2.378 -1.882 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.063 -1.966 1.803 1.00 0.00 C ATOM 0 H ILE A 94 -10.992 0.006 0.834 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.186 -1.384 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.894 -0.973 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.136 -3.520 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.592 -2.696 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.500 -3.008 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.045 -1.673 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.902 -3.002 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.747 -2.649 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.577 -1.001 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.144 -1.837 1.846 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.344 0.537 -3.105 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.555 1.458 -4.210 1.00 0.00 C ATOM 1309 C GLY A 95 -9.721 2.728 -4.032 1.00 0.00 C ATOM 1310 O GLY A 95 -9.849 3.672 -4.810 1.00 0.00 O ATOM 0 H GLY A 95 -9.411 0.128 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.289 0.972 -5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.611 1.718 -4.274 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.885 2.710 -3.005 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.030 3.850 -2.716 1.00 0.00 C ATOM 1316 C LYS A 96 -6.733 3.725 -3.519 1.00 0.00 C ATOM 1317 O LYS A 96 -6.603 2.838 -4.360 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.808 3.982 -1.208 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.887 4.861 -0.570 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.529 5.208 0.875 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.783 5.535 1.688 1.00 0.00 C ATOM 1322 NZ LYS A 96 -10.421 6.770 1.182 1.00 0.00 N ATOM 0 H LYS A 96 -8.781 1.925 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.511 4.777 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.819 2.994 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.824 4.411 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.004 5.777 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.846 4.343 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.002 4.371 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.849 6.060 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.487 4.705 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.520 5.658 2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.759 7.340 1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.728 7.319 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.225 6.520 0.571 1.00 0.00 H new ATOM 1332 N THR A 97 -5.809 4.629 -3.231 1.00 0.00 N ATOM 1333 CA THR A 97 -4.528 4.633 -3.917 1.00 0.00 C ATOM 1334 C THR A 97 -3.382 4.540 -2.907 1.00 0.00 C ATOM 1335 O THR A 97 -3.558 4.861 -1.732 1.00 0.00 O ATOM 1336 CB THR A 97 -4.465 5.883 -4.795 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.089 5.988 -5.152 1.00 0.00 O ATOM 1338 CG2 THR A 97 -4.744 7.166 -4.008 1.00 0.00 C ATOM 0 H THR A 97 -5.921 5.364 -2.532 1.00 0.00 H new ATOM 0 HA THR A 97 -4.422 3.761 -4.562 1.00 0.00 H new ATOM 0 HB THR A 97 -5.185 5.792 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.958 6.773 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.687 8.024 -4.678 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.740 7.114 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.004 7.275 -3.216 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.234 4.100 -3.401 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.060 3.962 -2.556 1.00 0.00 C ATOM 1348 C TYR A 98 -0.880 5.190 -1.661 1.00 0.00 C ATOM 1349 O TYR A 98 -0.805 5.066 -0.440 1.00 0.00 O ATOM 1350 CB TYR A 98 0.134 3.859 -3.507 1.00 0.00 C ATOM 1351 CG TYR A 98 1.416 3.354 -2.845 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.375 2.253 -2.012 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.615 3.997 -3.077 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.581 1.777 -1.388 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.822 3.519 -2.454 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.746 2.433 -1.639 1.00 0.00 C ATOM 1357 OH TYR A 98 4.886 1.982 -1.049 1.00 0.00 O ATOM 0 H TYR A 98 -2.092 3.834 -4.376 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.155 3.091 -1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.126 3.191 -4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.324 4.840 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.437 1.749 -1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.648 4.859 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.562 0.917 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.767 4.012 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 98 5.640 2.546 -1.320 1.00 0.00 H new ATOM 1366 N SER A 99 -0.818 6.347 -2.304 1.00 0.00 N ATOM 1367 CA SER A 99 -0.649 7.596 -1.581 1.00 0.00 C ATOM 1368 C SER A 99 -1.600 7.641 -0.384 1.00 0.00 C ATOM 1369 O SER A 99 -1.198 8.001 0.720 1.00 0.00 O ATOM 1370 CB SER A 99 -0.889 8.798 -2.495 1.00 0.00 C ATOM 1371 OG SER A 99 0.061 9.838 -2.273 1.00 0.00 O ATOM 0 H SER A 99 -0.882 6.446 -3.317 1.00 0.00 H new ATOM 0 HA SER A 99 0.379 7.647 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.839 8.478 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.895 9.184 -2.329 1.00 0.00 H new ATOM 0 HG SER A 99 -0.126 10.586 -2.877 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.846 7.271 -0.645 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.859 7.264 0.398 1.00 0.00 C ATOM 1378 C GLN A 100 -3.461 6.302 1.519 1.00 0.00 C ATOM 1379 O GLN A 100 -3.144 6.732 2.626 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.231 6.903 -0.174 1.00 0.00 C ATOM 1381 CG GLN A 100 -6.002 8.158 -0.587 1.00 0.00 C ATOM 1382 CD GLN A 100 -7.299 8.293 0.211 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -8.395 8.192 -0.315 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.115 8.528 1.508 1.00 0.00 N ATOM 0 H GLN A 100 -3.177 6.974 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.929 8.268 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.108 6.248 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.804 6.348 0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.380 9.039 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.229 8.115 -1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.170 8.601 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.919 8.635 2.126 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.489 5.019 1.191 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.136 3.992 2.157 1.00 0.00 C ATOM 1393 C VAL A 101 -1.839 4.390 2.865 1.00 0.00 C ATOM 1394 O VAL A 101 -1.660 4.105 4.048 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.045 2.630 1.465 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.435 2.125 1.068 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.117 2.693 0.250 1.00 0.00 C ATOM 0 H VAL A 101 -3.751 4.667 0.270 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.910 3.903 2.919 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.619 1.920 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.344 1.156 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.054 2.024 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.898 2.835 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.070 1.712 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.501 3.422 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.118 2.989 0.570 1.00 0.00 H new ATOM 1407 N ILE A 102 -0.966 5.042 2.110 1.00 0.00 N ATOM 1408 CA ILE A 102 0.309 5.482 2.651 1.00 0.00 C ATOM 1409 C ILE A 102 0.061 6.459 3.802 1.00 0.00 C ATOM 1410 O ILE A 102 0.462 6.203 4.936 1.00 0.00 O ATOM 1411 CB ILE A 102 1.194 6.051 1.540 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.817 4.929 0.705 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.253 6.994 2.113 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.950 4.241 1.470 1.00 0.00 C ATOM 0 H ILE A 102 -1.117 5.276 1.129 1.00 0.00 H new ATOM 0 HA ILE A 102 0.860 4.637 3.064 1.00 0.00 H new ATOM 0 HB ILE A 102 0.566 6.639 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.052 4.197 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.200 5.337 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.869 7.385 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.764 7.821 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.882 6.450 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.375 3.448 0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.724 4.971 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.559 3.813 2.393 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.598 7.559 3.470 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.904 8.577 4.460 1.00 0.00 C ATOM 1427 C ALA A 103 -1.499 7.910 5.702 1.00 0.00 C ATOM 1428 O ALA A 103 -1.159 8.271 6.828 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.845 9.617 3.850 1.00 0.00 C ATOM 0 H ALA A 103 -0.929 7.768 2.528 1.00 0.00 H new ATOM 0 HA ALA A 103 0.002 9.099 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.074 10.381 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.365 10.082 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.768 9.131 3.533 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.377 6.948 5.455 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.022 6.227 6.539 1.00 0.00 C ATOM 1437 C LEU A 104 -1.954 5.666 7.480 1.00 0.00 C ATOM 1438 O LEU A 104 -2.041 5.833 8.696 1.00 0.00 O ATOM 1439 CB LEU A 104 -3.973 5.165 5.986 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.114 5.680 5.106 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.170 4.595 4.887 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.720 6.960 5.684 1.00 0.00 C ATOM 0 H LEU A 104 -2.656 6.651 4.520 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.643 6.902 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.389 4.449 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.405 4.620 6.825 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.703 5.932 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.970 4.987 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.712 3.735 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.582 4.289 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.528 7.304 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.112 6.759 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.952 7.731 5.745 1.00 0.00 H new ATOM 1453 N ILE A 105 -0.970 5.011 6.882 1.00 0.00 N ATOM 1454 CA ILE A 105 0.115 4.425 7.651 1.00 0.00 C ATOM 1455 C ILE A 105 0.850 5.529 8.412 1.00 0.00 C ATOM 1456 O ILE A 105 1.266 5.330 9.553 1.00 0.00 O ATOM 1457 CB ILE A 105 1.025 3.592 6.746 1.00 0.00 C ATOM 1458 CG1 ILE A 105 0.314 2.322 6.273 1.00 0.00 C ATOM 1459 CG2 ILE A 105 2.353 3.281 7.439 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.757 1.938 4.861 1.00 0.00 C ATOM 0 H ILE A 105 -0.901 4.873 5.874 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.278 3.732 8.395 1.00 0.00 H new ATOM 0 HB ILE A 105 1.256 4.182 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.529 1.504 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.765 2.478 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.980 2.688 6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.863 4.213 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 105 2.163 2.720 8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.236 1.032 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.519 2.748 4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.832 1.759 4.853 1.00 0.00 H new ATOM 1471 N GLN A 106 0.988 6.669 7.752 1.00 0.00 N ATOM 1472 CA GLN A 106 1.664 7.806 8.353 1.00 0.00 C ATOM 1473 C GLN A 106 0.754 8.489 9.373 1.00 0.00 C ATOM 1474 O GLN A 106 1.225 9.222 10.241 1.00 0.00 O ATOM 1475 CB GLN A 106 2.129 8.797 7.282 1.00 0.00 C ATOM 1476 CG GLN A 106 3.169 8.159 6.359 1.00 0.00 C ATOM 1477 CD GLN A 106 4.468 8.966 6.356 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.254 8.930 7.290 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.649 9.697 5.260 1.00 0.00 N ATOM 0 H GLN A 106 0.643 6.830 6.806 1.00 0.00 H new ATOM 0 HA GLN A 106 2.549 7.442 8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.274 9.132 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.554 9.680 7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.372 7.138 6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.772 8.098 5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.952 9.681 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.485 10.273 5.164 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.538 8.225 9.236 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.521 8.804 10.136 1.00 0.00 C ATOM 1488 C ASN A 107 -2.013 7.730 11.109 1.00 0.00 C ATOM 1489 O ASN A 107 -3.083 7.864 11.699 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.731 9.332 9.364 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.427 10.692 8.732 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -1.894 11.592 9.360 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.795 10.789 7.458 1.00 0.00 N ATOM 0 H ASN A 107 -0.926 7.617 8.515 1.00 0.00 H new ATOM 0 HA ASN A 107 -1.045 9.627 10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.010 8.620 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.585 9.422 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.636 11.657 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.237 9.996 6.993 1.00 0.00 H new ATOM 1499 N SER A 108 -1.206 6.688 11.247 1.00 0.00 N ATOM 1500 CA SER A 108 -1.545 5.590 12.138 1.00 0.00 C ATOM 1501 C SER A 108 -1.642 6.097 13.578 1.00 0.00 C ATOM 1502 O SER A 108 -2.157 5.402 14.452 1.00 0.00 O ATOM 1503 CB SER A 108 -0.516 4.464 12.039 1.00 0.00 C ATOM 1504 OG SER A 108 -0.342 4.015 10.698 1.00 0.00 O ATOM 0 H SER A 108 -0.318 6.580 10.757 1.00 0.00 H new ATOM 0 HA SER A 108 -2.512 5.189 11.835 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.440 4.811 12.432 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.832 3.628 12.663 1.00 0.00 H new ATOM 0 HG SER A 108 0.580 4.186 10.413 1.00 0.00 H new ATOM 1509 N ASP A 109 -1.137 7.305 13.782 1.00 0.00 N ATOM 1510 CA ASP A 109 -1.159 7.913 15.102 1.00 0.00 C ATOM 1511 C ASP A 109 -0.379 7.030 16.078 1.00 0.00 C ATOM 1512 O ASP A 109 0.845 7.123 16.164 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.591 8.044 15.623 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.709 8.349 17.118 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.657 8.643 17.723 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -3.851 8.282 17.621 1.00 0.00 O ATOM 0 H ASP A 109 -0.710 7.879 13.055 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.711 8.904 15.025 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.094 8.834 15.065 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.124 7.117 15.413 1.00 0.00 H new ATOM 1520 N THR A 110 -1.119 6.193 16.790 1.00 0.00 N ATOM 1521 CA THR A 110 -0.514 5.295 17.757 1.00 0.00 C ATOM 1522 C THR A 110 -0.204 3.944 17.109 1.00 0.00 C ATOM 1523 O THR A 110 0.956 3.547 17.017 1.00 0.00 O ATOM 1524 CB THR A 110 -1.453 5.191 18.961 1.00 0.00 C ATOM 1525 OG1 THR A 110 -1.563 6.531 19.432 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.823 4.436 20.132 1.00 0.00 C ATOM 0 H THR A 110 -2.134 6.118 16.716 1.00 0.00 H new ATOM 0 HA THR A 110 0.444 5.680 18.107 1.00 0.00 H new ATOM 0 HB THR A 110 -2.374 4.691 18.660 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.156 6.556 20.212 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.531 4.391 20.959 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.568 3.424 19.817 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.080 4.954 20.455 1.00 0.00 H new ATOM 1534 N THR A 111 -1.263 3.274 16.678 1.00 0.00 N ATOM 1535 CA THR A 111 -1.120 1.976 16.041 1.00 0.00 C ATOM 1536 C THR A 111 -1.542 2.052 14.573 1.00 0.00 C ATOM 1537 O THR A 111 -2.243 2.981 14.171 1.00 0.00 O ATOM 1538 CB THR A 111 -1.926 0.961 16.852 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.952 1.738 17.463 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.134 0.393 18.033 1.00 0.00 C ATOM 0 H THR A 111 -2.224 3.606 16.758 1.00 0.00 H new ATOM 0 HA THR A 111 -0.079 1.654 16.031 1.00 0.00 H new ATOM 0 HB THR A 111 -2.241 0.146 16.201 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.523 1.156 18.007 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.752 -0.322 18.575 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.239 -0.108 17.664 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.846 1.204 18.702 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.099 1.064 13.810 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.421 1.008 12.395 1.00 0.00 C ATOM 1550 C LEU A 112 -2.134 -0.310 12.091 1.00 0.00 C ATOM 1551 O LEU A 112 -1.516 -1.373 12.114 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.167 1.238 11.549 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.358 1.170 10.033 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.060 -0.235 9.506 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.756 1.646 9.634 1.00 0.00 C ATOM 0 H LEU A 112 -0.519 0.295 14.146 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.108 1.812 12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.242 2.217 11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.580 0.498 11.834 1.00 0.00 H new ATOM 0 HG LEU A 112 0.358 1.848 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.203 -0.256 8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.971 -0.501 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.735 -0.951 9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.865 1.587 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.505 1.013 10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.895 2.678 9.957 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.425 -0.199 11.813 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.228 -1.370 11.504 1.00 0.00 C ATOM 1568 C GLU A 113 -4.194 -1.656 10.001 1.00 0.00 C ATOM 1569 O GLU A 113 -4.389 -0.753 9.189 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.666 -1.192 11.996 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.449 -2.502 11.882 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.871 -2.340 12.423 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.039 -2.545 13.644 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.756 -2.012 11.604 1.00 0.00 O ATOM 0 H GLU A 113 -3.935 0.684 11.795 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.803 -2.227 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.661 -0.856 13.033 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.161 -0.416 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.487 -2.818 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.933 -3.287 12.435 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.946 -2.916 9.678 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.884 -3.334 8.288 1.00 0.00 C ATOM 1581 C LEU A 114 -4.871 -4.480 8.058 1.00 0.00 C ATOM 1582 O LEU A 114 -5.550 -4.914 8.988 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.445 -3.673 7.893 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.464 -2.499 7.857 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.019 -2.988 7.974 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.679 -1.643 6.607 1.00 0.00 C ATOM 0 H LEU A 114 -3.785 -3.662 10.355 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.186 -2.517 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.064 -4.418 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.460 -4.138 6.907 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.660 -1.864 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.658 -2.134 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.109 -3.522 8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.207 -3.657 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.969 -0.816 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.526 -2.254 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.695 -1.249 6.606 1.00 0.00 H new ATOM 1597 N SER A 115 -4.919 -4.936 6.816 1.00 0.00 N ATOM 1598 CA SER A 115 -5.813 -6.024 6.453 1.00 0.00 C ATOM 1599 C SER A 115 -5.442 -6.567 5.072 1.00 0.00 C ATOM 1600 O SER A 115 -5.274 -5.801 4.124 1.00 0.00 O ATOM 1601 CB SER A 115 -7.273 -5.566 6.468 1.00 0.00 C ATOM 1602 OG SER A 115 -7.521 -4.609 7.495 1.00 0.00 O ATOM 0 H SER A 115 -4.354 -4.573 6.048 1.00 0.00 H new ATOM 0 HA SER A 115 -5.702 -6.818 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.527 -5.134 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.923 -6.429 6.612 1.00 0.00 H new ATOM 0 HG SER A 115 -7.204 -4.960 8.353 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.324 -7.885 5.001 1.00 0.00 N ATOM 1608 CA VAL A 116 -4.975 -8.539 3.751 1.00 0.00 C ATOM 1609 C VAL A 116 -5.966 -9.673 3.481 1.00 0.00 C ATOM 1610 O VAL A 116 -6.946 -9.833 4.208 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.521 -9.015 3.797 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.580 -7.864 4.157 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.357 -10.183 4.770 1.00 0.00 C ATOM 0 H VAL A 116 -5.464 -8.518 5.789 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.047 -7.838 2.920 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.252 -9.369 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.553 -8.228 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.667 -7.076 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.849 -7.467 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.315 -10.502 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.653 -9.867 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -3.986 -11.014 4.451 1.00 0.00 H new ATOM 1623 N MET A 117 -5.677 -10.431 2.434 1.00 0.00 N ATOM 1624 CA MET A 117 -6.530 -11.546 2.059 1.00 0.00 C ATOM 1625 C MET A 117 -5.707 -12.814 1.825 1.00 0.00 C ATOM 1626 O MET A 117 -5.145 -13.003 0.748 1.00 0.00 O ATOM 1627 CB MET A 117 -7.300 -11.195 0.784 1.00 0.00 C ATOM 1628 CG MET A 117 -8.365 -10.132 1.062 1.00 0.00 C ATOM 1629 SD MET A 117 -9.994 -10.841 0.888 1.00 0.00 S ATOM 1630 CE MET A 117 -10.108 -11.737 2.426 1.00 0.00 C ATOM 0 H MET A 117 -4.864 -10.295 1.833 1.00 0.00 H new ATOM 0 HA MET A 117 -7.227 -11.734 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.607 -10.831 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.772 -12.091 0.381 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.239 -9.733 2.068 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.247 -9.297 0.371 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.132 -11.695 2.797 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.823 -12.777 2.263 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.438 -11.288 3.159 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.660 -13.671 2.880 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.914 -14.916 2.799 1.00 0.00 C ATOM 1640 C PRO A 118 -5.657 -15.948 1.948 1.00 0.00 C ATOM 1641 O PRO A 118 -6.887 -15.952 1.906 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.728 -15.357 4.242 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.770 -14.598 5.047 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.312 -13.480 4.171 1.00 0.00 C ATOM 0 HA PRO A 118 -3.950 -14.797 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.865 -16.434 4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.721 -15.130 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.575 -15.265 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.328 -14.190 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.397 -13.539 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.081 -12.501 4.590 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.881 -16.798 1.294 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.450 -17.832 0.448 1.00 0.00 C ATOM 1651 C LYS A 119 -5.047 -19.206 0.986 1.00 0.00 C ATOM 1652 O LYS A 119 -4.118 -19.315 1.784 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.056 -17.605 -1.015 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.230 -17.039 -1.817 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.817 -18.099 -2.751 1.00 0.00 C ATOM 1656 CE LYS A 119 -6.943 -17.563 -4.178 1.00 0.00 C ATOM 1657 NZ LYS A 119 -5.741 -17.907 -4.969 1.00 0.00 N ATOM 0 H LYS A 119 -3.862 -16.792 1.333 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.539 -17.787 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.211 -16.918 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.728 -18.546 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.002 -16.682 -1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.897 -16.180 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.182 -18.985 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.797 -18.407 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.830 -17.982 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.074 -16.481 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.843 -17.536 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.900 -17.487 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.633 -18.941 -5.005 1.00 0.00 H new