USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot 10:sc= 0.748 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.0528 (180deg=-0.881) USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.775) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= -4.71! (180deg=-11.1!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00834 X(o=-0.0083,f=-0.21) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 166:sc= 0 (180deg=-0.196) USER MOD Single : A 62 MET CE :methyl -139:sc= 0 (180deg=-0.518) USER MOD Single : A 66 THR OG1 : rot 78:sc= 0.798 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.078 8.215 -6.863 1.00 0.00 N ATOM 110 CA THR A 7 -5.566 6.913 -6.385 1.00 0.00 C ATOM 111 C THR A 7 -6.106 6.663 -4.968 1.00 0.00 C ATOM 112 O THR A 7 -6.343 7.597 -4.228 1.00 0.00 O ATOM 113 CB THR A 7 -4.040 7.002 -6.373 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.617 7.852 -7.429 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.419 5.620 -6.564 1.00 0.00 C ATOM 0 HA THR A 7 -5.884 6.092 -7.027 1.00 0.00 H new ATOM 0 HB THR A 7 -3.718 7.402 -5.412 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.396 8.301 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.332 5.705 -6.553 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.740 4.962 -5.757 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.741 5.206 -7.519 1.00 0.00 H new ATOM 123 N PRO A 8 -6.300 5.412 -4.641 1.00 0.00 N ATOM 124 CA PRO A 8 -6.829 5.006 -3.326 1.00 0.00 C ATOM 125 C PRO A 8 -5.738 5.099 -2.254 1.00 0.00 C ATOM 126 O PRO A 8 -4.602 5.411 -2.557 1.00 0.00 O ATOM 127 CB PRO A 8 -7.286 3.560 -3.559 1.00 0.00 C ATOM 128 CG PRO A 8 -6.518 3.045 -4.796 1.00 0.00 C ATOM 129 CD PRO A 8 -6.002 4.287 -5.546 1.00 0.00 C ATOM 0 HA PRO A 8 -7.638 5.641 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.074 2.942 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.362 3.517 -3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.690 2.402 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.170 2.450 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.934 4.213 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.502 4.407 -6.507 1.00 0.00 H new ATOM 137 N PRO A 9 -6.117 4.839 -1.028 1.00 0.00 N ATOM 138 CA PRO A 9 -5.189 4.903 0.117 1.00 0.00 C ATOM 139 C PRO A 9 -4.189 3.744 0.085 1.00 0.00 C ATOM 140 O PRO A 9 -4.457 2.687 -0.449 1.00 0.00 O ATOM 141 CB PRO A 9 -6.110 4.829 1.338 1.00 0.00 C ATOM 142 CG PRO A 9 -7.428 4.190 0.851 1.00 0.00 C ATOM 143 CD PRO A 9 -7.499 4.449 -0.666 1.00 0.00 C ATOM 0 HA PRO A 9 -4.576 5.804 0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.658 4.232 2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.289 5.822 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.444 3.121 1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.285 4.630 1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.818 3.559 -1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.212 5.239 -0.903 1.00 0.00 H new ATOM 151 N ALA A 10 -3.028 3.954 0.647 1.00 0.00 N ATOM 152 CA ALA A 10 -1.982 2.893 0.652 1.00 0.00 C ATOM 153 C ALA A 10 -2.615 1.526 0.907 1.00 0.00 C ATOM 154 O ALA A 10 -2.608 0.665 0.055 1.00 0.00 O ATOM 155 CB ALA A 10 -0.962 3.193 1.752 1.00 0.00 C ATOM 0 H ALA A 10 -2.759 4.824 1.107 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.487 2.878 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.195 2.418 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.498 4.161 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.465 3.213 2.719 1.00 0.00 H new ATOM 161 N ALA A 11 -3.152 1.312 2.074 1.00 0.00 N ATOM 162 CA ALA A 11 -3.768 -0.012 2.373 1.00 0.00 C ATOM 163 C ALA A 11 -4.660 -0.443 1.205 1.00 0.00 C ATOM 164 O ALA A 11 -4.339 -1.360 0.476 1.00 0.00 O ATOM 165 CB ALA A 11 -4.604 0.087 3.648 1.00 0.00 C ATOM 0 H ALA A 11 -3.192 1.993 2.832 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.980 -0.751 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.053 -0.882 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.965 0.385 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.391 0.829 3.511 1.00 0.00 H new ATOM 171 N VAL A 12 -5.778 0.208 1.020 1.00 0.00 N ATOM 172 CA VAL A 12 -6.681 -0.175 -0.105 1.00 0.00 C ATOM 173 C VAL A 12 -5.843 -0.407 -1.365 1.00 0.00 C ATOM 174 O VAL A 12 -5.819 -1.489 -1.915 1.00 0.00 O ATOM 175 CB VAL A 12 -7.690 0.946 -0.358 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.403 0.700 -1.690 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.722 0.972 0.774 1.00 0.00 C ATOM 0 H VAL A 12 -6.104 0.984 1.596 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.218 -1.088 0.151 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.167 1.902 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.122 1.499 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.670 0.682 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.925 -0.256 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.441 1.771 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.244 0.016 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.216 1.147 1.724 1.00 0.00 H new ATOM 187 N LEU A 13 -5.149 0.601 -1.818 1.00 0.00 N ATOM 188 CA LEU A 13 -4.303 0.441 -3.033 1.00 0.00 C ATOM 189 C LEU A 13 -3.407 -0.781 -2.857 1.00 0.00 C ATOM 190 O LEU A 13 -3.104 -1.492 -3.795 1.00 0.00 O ATOM 191 CB LEU A 13 -3.446 1.696 -3.210 1.00 0.00 C ATOM 192 CG LEU A 13 -2.280 1.423 -4.159 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.813 1.236 -5.578 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.319 2.614 -4.125 1.00 0.00 C ATOM 0 H LEU A 13 -5.132 1.530 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.929 0.304 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.058 2.508 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.065 2.022 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.755 0.519 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.982 1.041 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.504 0.393 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.334 2.140 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.484 2.427 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.845 3.515 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.943 2.749 -3.111 1.00 0.00 H new ATOM 206 N LEU A 14 -2.992 -1.034 -1.653 1.00 0.00 N ATOM 207 CA LEU A 14 -2.126 -2.213 -1.390 1.00 0.00 C ATOM 208 C LEU A 14 -2.953 -3.474 -1.634 1.00 0.00 C ATOM 209 O LEU A 14 -2.679 -4.242 -2.535 1.00 0.00 O ATOM 210 CB LEU A 14 -1.649 -2.177 0.063 1.00 0.00 C ATOM 211 CG LEU A 14 -0.188 -1.732 0.120 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.668 -2.673 -0.729 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.070 -0.307 -0.425 1.00 0.00 C ATOM 0 H LEU A 14 -3.216 -0.471 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.256 -2.204 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.269 -1.493 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.756 -3.163 0.514 1.00 0.00 H new ATOM 0 HG LEU A 14 0.159 -1.759 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.710 -2.354 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.584 -3.689 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.322 -2.647 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.971 0.013 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.418 -0.282 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.679 0.365 0.179 1.00 0.00 H new ATOM 225 N LYS A 15 -3.985 -3.679 -0.856 1.00 0.00 N ATOM 226 CA LYS A 15 -4.846 -4.873 -1.070 1.00 0.00 C ATOM 227 C LYS A 15 -5.348 -4.840 -2.513 1.00 0.00 C ATOM 228 O LYS A 15 -5.768 -5.833 -3.068 1.00 0.00 O ATOM 229 CB LYS A 15 -6.037 -4.831 -0.111 1.00 0.00 C ATOM 230 CG LYS A 15 -6.399 -6.254 0.322 1.00 0.00 C ATOM 231 CD LYS A 15 -6.970 -7.022 -0.871 1.00 0.00 C ATOM 232 CE LYS A 15 -7.708 -8.264 -0.370 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.968 -8.849 0.784 1.00 0.00 N ATOM 0 H LYS A 15 -4.265 -3.072 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.280 -5.786 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.793 -4.226 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.891 -4.360 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.516 -6.764 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.128 -6.224 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.650 -6.385 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.167 -7.311 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.722 -8.001 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.793 -8.998 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.251 -9.842 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.945 -8.801 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.191 -8.313 1.647 1.00 0.00 H new ATOM 247 N LYS A 16 -5.302 -3.692 -3.122 1.00 0.00 N ATOM 248 CA LYS A 16 -5.755 -3.583 -4.529 1.00 0.00 C ATOM 249 C LYS A 16 -4.717 -4.235 -5.433 1.00 0.00 C ATOM 250 O LYS A 16 -4.828 -5.385 -5.812 1.00 0.00 O ATOM 251 CB LYS A 16 -5.908 -2.108 -4.906 1.00 0.00 C ATOM 252 CG LYS A 16 -7.235 -1.575 -4.363 1.00 0.00 C ATOM 253 CD LYS A 16 -8.251 -1.487 -5.503 1.00 0.00 C ATOM 254 CE LYS A 16 -9.651 -1.779 -4.962 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.216 -0.542 -4.351 1.00 0.00 N ATOM 0 H LYS A 16 -4.969 -2.823 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.716 -4.084 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.078 -1.530 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.875 -1.994 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.609 -2.231 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.089 -0.592 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.223 -0.495 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.996 -2.200 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.298 -2.128 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.607 -2.576 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.742 -0.790 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.443 0.110 -4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.858 -0.082 -5.028 1.00 0.00 H new ATOM 269 N ALA A 17 -3.714 -3.493 -5.784 1.00 0.00 N ATOM 270 CA ALA A 17 -2.647 -4.034 -6.677 1.00 0.00 C ATOM 271 C ALA A 17 -1.845 -5.142 -5.973 1.00 0.00 C ATOM 272 O ALA A 17 -1.713 -6.239 -6.479 1.00 0.00 O ATOM 273 CB ALA A 17 -1.699 -2.900 -7.071 1.00 0.00 C ATOM 0 H ALA A 17 -3.580 -2.525 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.120 -4.459 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.917 -3.289 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.257 -2.125 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.246 -2.477 -6.175 1.00 0.00 H new ATOM 279 N ALA A 18 -1.280 -4.852 -4.830 1.00 0.00 N ATOM 280 CA ALA A 18 -0.453 -5.869 -4.110 1.00 0.00 C ATOM 281 C ALA A 18 -1.333 -6.886 -3.376 1.00 0.00 C ATOM 282 O ALA A 18 -0.839 -7.838 -2.805 1.00 0.00 O ATOM 283 CB ALA A 18 0.439 -5.155 -3.094 1.00 0.00 C ATOM 0 H ALA A 18 -1.356 -3.950 -4.361 1.00 0.00 H new ATOM 0 HA ALA A 18 0.150 -6.404 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.046 -5.889 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.091 -4.452 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.183 -4.615 -2.380 1.00 0.00 H new ATOM 289 N GLY A 19 -2.622 -6.702 -3.374 1.00 0.00 N ATOM 290 CA GLY A 19 -3.498 -7.673 -2.660 1.00 0.00 C ATOM 291 C GLY A 19 -3.710 -8.919 -3.523 1.00 0.00 C ATOM 292 O GLY A 19 -4.467 -9.800 -3.169 1.00 0.00 O ATOM 0 H GLY A 19 -3.105 -5.929 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.046 -7.952 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.458 -7.210 -2.433 1.00 0.00 H new ATOM 447 N LYS A 31 0.458 -12.581 6.344 1.00 0.00 N ATOM 448 CA LYS A 31 0.741 -11.953 5.021 1.00 0.00 C ATOM 449 C LYS A 31 0.580 -12.997 3.914 1.00 0.00 C ATOM 450 O LYS A 31 1.021 -14.121 4.040 1.00 0.00 O ATOM 451 CB LYS A 31 2.171 -11.412 5.013 1.00 0.00 C ATOM 452 CG LYS A 31 3.134 -12.508 5.475 1.00 0.00 C ATOM 453 CD LYS A 31 3.854 -13.098 4.261 1.00 0.00 C ATOM 454 CE LYS A 31 4.447 -14.460 4.627 1.00 0.00 C ATOM 455 NZ LYS A 31 4.462 -15.333 3.421 1.00 0.00 N ATOM 0 HA LYS A 31 0.042 -11.135 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.439 -11.077 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.247 -10.546 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.859 -12.097 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.587 -13.290 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.158 -13.205 3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.644 -12.423 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.459 -14.337 5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.859 -14.924 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.865 -16.259 3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.491 -15.460 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.041 -14.890 2.679 1.00 0.00 H new ATOM 469 N VAL A 32 -0.048 -12.634 2.830 1.00 0.00 N ATOM 470 CA VAL A 32 -0.236 -13.607 1.718 1.00 0.00 C ATOM 471 C VAL A 32 0.355 -13.041 0.426 1.00 0.00 C ATOM 472 O VAL A 32 0.390 -13.701 -0.593 1.00 0.00 O ATOM 473 CB VAL A 32 -1.728 -13.874 1.520 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.181 -14.981 2.473 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.515 -12.594 1.812 1.00 0.00 C ATOM 0 H VAL A 32 -0.439 -11.706 2.666 1.00 0.00 H new ATOM 0 HA VAL A 32 0.272 -14.538 1.968 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.909 -14.187 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.245 -15.171 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.619 -15.892 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.002 -14.671 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.580 -12.781 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.334 -12.282 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.193 -11.806 1.132 1.00 0.00 H new ATOM 485 N ALA A 33 0.816 -11.827 0.460 1.00 0.00 N ATOM 486 CA ALA A 33 1.402 -11.220 -0.768 1.00 0.00 C ATOM 487 C ALA A 33 2.656 -10.424 -0.404 1.00 0.00 C ATOM 488 O ALA A 33 2.580 -9.322 0.098 1.00 0.00 O ATOM 489 CB ALA A 33 0.376 -10.287 -1.415 1.00 0.00 C ATOM 0 H ALA A 33 0.814 -11.226 1.284 1.00 0.00 H new ATOM 0 HA ALA A 33 1.669 -12.012 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.804 -9.843 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.516 -10.855 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.108 -9.498 -0.712 1.00 0.00 H new ATOM 495 N THR A 34 3.813 -10.969 -0.657 1.00 0.00 N ATOM 496 CA THR A 34 5.065 -10.236 -0.326 1.00 0.00 C ATOM 497 C THR A 34 5.657 -9.634 -1.602 1.00 0.00 C ATOM 498 O THR A 34 6.218 -10.326 -2.426 1.00 0.00 O ATOM 499 CB THR A 34 6.073 -11.204 0.299 1.00 0.00 C ATOM 500 OG1 THR A 34 5.377 -12.204 1.029 1.00 0.00 O ATOM 501 CG2 THR A 34 7.005 -10.440 1.240 1.00 0.00 C ATOM 0 H THR A 34 3.945 -11.889 -1.078 1.00 0.00 H new ATOM 0 HA THR A 34 4.842 -9.437 0.382 1.00 0.00 H new ATOM 0 HB THR A 34 6.662 -11.672 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.021 -12.825 1.428 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.721 -11.132 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.540 -9.674 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.419 -9.969 2.029 1.00 0.00 H new ATOM 509 N ILE A 35 5.543 -8.344 -1.764 1.00 0.00 N ATOM 510 CA ILE A 35 6.108 -7.690 -2.980 1.00 0.00 C ATOM 511 C ILE A 35 7.433 -7.036 -2.611 1.00 0.00 C ATOM 512 O ILE A 35 7.694 -6.762 -1.460 1.00 0.00 O ATOM 513 CB ILE A 35 5.148 -6.610 -3.491 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.499 -5.901 -2.301 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.063 -7.248 -4.359 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.774 -4.645 -2.786 1.00 0.00 C ATOM 0 H ILE A 35 5.083 -7.714 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 35 6.253 -8.438 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 35 5.705 -5.887 -4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.796 -6.570 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.258 -5.634 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.384 -6.475 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.525 -7.750 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.505 -7.975 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.312 -4.141 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.488 -3.973 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.004 -4.924 -3.505 1.00 0.00 H new ATOM 528 N LYS A 36 8.268 -6.768 -3.566 1.00 0.00 N ATOM 529 CA LYS A 36 9.558 -6.112 -3.236 1.00 0.00 C ATOM 530 C LYS A 36 9.331 -4.602 -3.169 1.00 0.00 C ATOM 531 O LYS A 36 8.253 -4.118 -3.457 1.00 0.00 O ATOM 532 CB LYS A 36 10.595 -6.436 -4.313 1.00 0.00 C ATOM 533 CG LYS A 36 11.951 -6.690 -3.655 1.00 0.00 C ATOM 534 CD LYS A 36 12.154 -8.195 -3.470 1.00 0.00 C ATOM 535 CE LYS A 36 13.305 -8.668 -4.356 1.00 0.00 C ATOM 536 NZ LYS A 36 12.993 -10.020 -4.898 1.00 0.00 N ATOM 0 H LYS A 36 8.117 -6.972 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 36 9.927 -6.475 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.284 -7.313 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.671 -5.610 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.749 -6.278 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.000 -6.184 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.371 -8.418 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.240 -8.730 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.461 -7.964 -5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.231 -8.700 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.777 -10.342 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.865 -10.688 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.119 -9.975 -5.460 1.00 0.00 H new ATOM 550 N ARG A 37 10.326 -3.847 -2.796 1.00 0.00 N ATOM 551 CA ARG A 37 10.135 -2.374 -2.722 1.00 0.00 C ATOM 552 C ARG A 37 9.729 -1.851 -4.100 1.00 0.00 C ATOM 553 O ARG A 37 9.236 -0.751 -4.240 1.00 0.00 O ATOM 554 CB ARG A 37 11.436 -1.703 -2.273 1.00 0.00 C ATOM 555 CG ARG A 37 11.217 -1.034 -0.916 1.00 0.00 C ATOM 556 CD ARG A 37 12.569 -0.680 -0.292 1.00 0.00 C ATOM 557 NE ARG A 37 12.362 -0.205 1.105 1.00 0.00 N ATOM 558 CZ ARG A 37 11.538 -0.840 1.894 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.452 -2.140 1.839 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.801 -0.172 2.738 1.00 0.00 N ATOM 0 H ARG A 37 11.255 -4.183 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 37 9.352 -2.143 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.234 -2.442 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.750 -0.963 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.614 -0.134 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.664 -1.702 -0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.224 -1.551 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.062 0.093 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 37 12.864 0.616 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.029 -2.662 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.808 -2.635 2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.869 0.845 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.157 -0.667 3.355 1.00 0.00 H new ATOM 574 N ASP A 38 9.931 -2.640 -5.115 1.00 0.00 N ATOM 575 CA ASP A 38 9.558 -2.210 -6.492 1.00 0.00 C ATOM 576 C ASP A 38 8.055 -1.912 -6.550 1.00 0.00 C ATOM 577 O ASP A 38 7.619 -1.022 -7.252 1.00 0.00 O ATOM 578 CB ASP A 38 9.893 -3.328 -7.479 1.00 0.00 C ATOM 579 CG ASP A 38 11.315 -3.132 -8.011 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.783 -2.006 -7.990 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.909 -4.111 -8.432 1.00 0.00 O ATOM 0 H ASP A 38 10.341 -3.572 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 38 10.115 -1.310 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.807 -4.298 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.181 -3.324 -8.304 1.00 0.00 H new ATOM 586 N LYS A 39 7.261 -2.650 -5.820 1.00 0.00 N ATOM 587 CA LYS A 39 5.790 -2.410 -5.839 1.00 0.00 C ATOM 588 C LYS A 39 5.458 -1.232 -4.933 1.00 0.00 C ATOM 589 O LYS A 39 4.792 -0.298 -5.330 1.00 0.00 O ATOM 590 CB LYS A 39 5.080 -3.639 -5.303 1.00 0.00 C ATOM 591 CG LYS A 39 4.849 -4.641 -6.435 1.00 0.00 C ATOM 592 CD LYS A 39 3.354 -4.941 -6.556 1.00 0.00 C ATOM 593 CE LYS A 39 3.041 -5.420 -7.974 1.00 0.00 C ATOM 594 NZ LYS A 39 2.400 -4.315 -8.741 1.00 0.00 N ATOM 0 H LYS A 39 7.569 -3.409 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 39 5.470 -2.200 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.676 -4.099 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.127 -3.354 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.227 -4.237 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.400 -5.561 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.066 -5.703 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.774 -4.047 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.957 -5.739 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.379 -6.285 -7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.187 -4.640 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.518 -4.031 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.047 -3.502 -8.785 1.00 0.00 H new ATOM 608 N VAL A 40 5.936 -1.259 -3.721 1.00 0.00 N ATOM 609 CA VAL A 40 5.661 -0.128 -2.804 1.00 0.00 C ATOM 610 C VAL A 40 6.369 1.094 -3.378 1.00 0.00 C ATOM 611 O VAL A 40 6.098 2.219 -3.005 1.00 0.00 O ATOM 612 CB VAL A 40 6.205 -0.451 -1.407 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.433 0.843 -0.619 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.194 -1.324 -0.660 1.00 0.00 C ATOM 0 H VAL A 40 6.502 -2.013 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 40 4.590 0.056 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 40 7.152 -0.981 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.819 0.603 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.153 1.469 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.489 1.380 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.577 -1.556 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.249 -0.789 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.035 -2.250 -1.212 1.00 0.00 H new ATOM 624 N ARG A 41 7.258 0.877 -4.308 1.00 0.00 N ATOM 625 CA ARG A 41 7.960 2.027 -4.934 1.00 0.00 C ATOM 626 C ARG A 41 6.970 2.738 -5.851 1.00 0.00 C ATOM 627 O ARG A 41 6.625 3.884 -5.644 1.00 0.00 O ATOM 628 CB ARG A 41 9.158 1.532 -5.749 1.00 0.00 C ATOM 629 CG ARG A 41 10.449 1.803 -4.974 1.00 0.00 C ATOM 630 CD ARG A 41 11.590 2.076 -5.955 1.00 0.00 C ATOM 631 NE ARG A 41 11.820 3.545 -6.052 1.00 0.00 N ATOM 632 CZ ARG A 41 11.468 4.192 -7.129 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.206 4.425 -7.367 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.377 4.608 -7.966 1.00 0.00 N ATOM 0 H ARG A 41 7.526 -0.043 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 41 8.326 2.708 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.059 0.465 -5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.188 2.037 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.314 2.657 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.694 0.947 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.499 1.576 -5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.345 1.670 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 41 12.253 4.045 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.495 4.101 -6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.931 4.931 -8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.363 4.428 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.102 5.114 -8.808 1.00 0.00 H new ATOM 648 N GLU A 42 6.492 2.049 -6.849 1.00 0.00 N ATOM 649 CA GLU A 42 5.500 2.663 -7.773 1.00 0.00 C ATOM 650 C GLU A 42 4.236 2.996 -6.978 1.00 0.00 C ATOM 651 O GLU A 42 3.607 4.016 -7.179 1.00 0.00 O ATOM 652 CB GLU A 42 5.164 1.676 -8.892 1.00 0.00 C ATOM 653 CG GLU A 42 6.215 1.788 -10.001 1.00 0.00 C ATOM 654 CD GLU A 42 5.611 2.504 -11.213 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.438 2.830 -11.162 1.00 0.00 O ATOM 656 OE2 GLU A 42 6.336 2.714 -12.171 1.00 0.00 O ATOM 0 H GLU A 42 6.746 1.085 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 42 5.910 3.571 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.140 0.659 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.172 1.887 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.084 2.337 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.562 0.795 -10.288 1.00 0.00 H new ATOM 663 N ILE A 43 3.867 2.130 -6.072 1.00 0.00 N ATOM 664 CA ILE A 43 2.654 2.367 -5.244 1.00 0.00 C ATOM 665 C ILE A 43 2.841 3.655 -4.436 1.00 0.00 C ATOM 666 O ILE A 43 1.988 4.521 -4.425 1.00 0.00 O ATOM 667 CB ILE A 43 2.460 1.160 -4.311 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.633 0.095 -5.038 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.730 1.574 -3.028 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.546 -1.162 -4.171 1.00 0.00 C ATOM 0 H ILE A 43 4.361 1.261 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 43 1.771 2.480 -5.873 1.00 0.00 H new ATOM 0 HB ILE A 43 3.439 0.764 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.633 0.476 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.091 -0.143 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.604 0.704 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.314 2.331 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.752 1.982 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.958 -1.920 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.549 -1.546 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.069 -0.917 -3.222 1.00 0.00 H new ATOM 682 N ALA A 44 3.951 3.792 -3.764 1.00 0.00 N ATOM 683 CA ALA A 44 4.185 5.029 -2.970 1.00 0.00 C ATOM 684 C ALA A 44 4.146 6.236 -3.908 1.00 0.00 C ATOM 685 O ALA A 44 3.423 7.188 -3.681 1.00 0.00 O ATOM 686 CB ALA A 44 5.556 4.949 -2.294 1.00 0.00 C ATOM 0 H ALA A 44 4.703 3.103 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 44 3.413 5.131 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.728 5.855 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.586 4.082 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.331 4.853 -3.054 1.00 0.00 H new ATOM 692 N GLU A 45 4.908 6.200 -4.967 1.00 0.00 N ATOM 693 CA GLU A 45 4.902 7.343 -5.922 1.00 0.00 C ATOM 694 C GLU A 45 3.481 7.549 -6.438 1.00 0.00 C ATOM 695 O GLU A 45 3.056 8.656 -6.705 1.00 0.00 O ATOM 696 CB GLU A 45 5.840 7.044 -7.093 1.00 0.00 C ATOM 697 CG GLU A 45 7.085 7.928 -6.986 1.00 0.00 C ATOM 698 CD GLU A 45 6.936 9.135 -7.914 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.047 9.935 -7.676 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.716 9.239 -8.847 1.00 0.00 O ATOM 0 H GLU A 45 5.532 5.431 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 45 5.245 8.246 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.126 5.992 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.330 7.229 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.220 8.262 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.974 7.357 -7.255 1.00 0.00 H new ATOM 707 N LEU A 46 2.739 6.487 -6.567 1.00 0.00 N ATOM 708 CA LEU A 46 1.335 6.611 -7.049 1.00 0.00 C ATOM 709 C LEU A 46 0.531 7.392 -6.013 1.00 0.00 C ATOM 710 O LEU A 46 0.047 8.474 -6.275 1.00 0.00 O ATOM 711 CB LEU A 46 0.723 5.221 -7.219 1.00 0.00 C ATOM 712 CG LEU A 46 0.643 4.875 -8.705 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.445 3.366 -8.866 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.537 5.614 -9.338 1.00 0.00 C ATOM 0 H LEU A 46 3.044 5.536 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 46 1.319 7.129 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.327 4.480 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.272 5.194 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 46 1.567 5.176 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.388 3.118 -9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.285 2.839 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.479 3.066 -8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.594 5.367 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.461 5.313 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.397 6.689 -9.223 1.00 0.00 H new ATOM 726 N LYS A 47 0.392 6.848 -4.833 1.00 0.00 N ATOM 727 CA LYS A 47 -0.369 7.550 -3.760 1.00 0.00 C ATOM 728 C LYS A 47 0.516 8.617 -3.091 1.00 0.00 C ATOM 729 O LYS A 47 0.234 9.065 -2.001 1.00 0.00 O ATOM 730 CB LYS A 47 -0.820 6.535 -2.709 1.00 0.00 C ATOM 731 CG LYS A 47 -2.328 6.668 -2.481 1.00 0.00 C ATOM 732 CD LYS A 47 -2.689 8.141 -2.281 1.00 0.00 C ATOM 733 CE LYS A 47 -3.781 8.262 -1.216 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.267 9.060 -0.066 1.00 0.00 N ATOM 0 H LYS A 47 0.776 5.942 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.239 8.036 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.579 5.524 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.285 6.702 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.872 6.262 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.626 6.088 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.807 8.704 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.034 8.572 -3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.665 8.740 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.086 7.272 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.438 8.542 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.246 9.219 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.758 9.976 -0.032 1.00 0.00 H new ATOM 748 N MET A 48 1.595 9.013 -3.717 1.00 0.00 N ATOM 749 CA MET A 48 2.493 10.029 -3.089 1.00 0.00 C ATOM 750 C MET A 48 1.801 11.396 -3.015 1.00 0.00 C ATOM 751 O MET A 48 1.795 12.021 -1.973 1.00 0.00 O ATOM 752 CB MET A 48 3.773 10.156 -3.919 1.00 0.00 C ATOM 753 CG MET A 48 4.975 9.717 -3.080 1.00 0.00 C ATOM 754 SD MET A 48 6.217 11.033 -3.075 1.00 0.00 S ATOM 755 CE MET A 48 6.686 10.903 -1.332 1.00 0.00 C ATOM 0 H MET A 48 1.892 8.678 -4.633 1.00 0.00 H new ATOM 0 HA MET A 48 2.732 9.703 -2.077 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.699 9.541 -4.816 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.904 11.187 -4.249 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.659 9.496 -2.060 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.402 8.801 -3.488 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.457 11.640 -1.107 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.813 11.088 -0.706 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.071 9.903 -1.132 1.00 0.00 H new ATOM 765 N PRO A 49 1.242 11.828 -4.116 1.00 0.00 N ATOM 766 CA PRO A 49 0.548 13.125 -4.188 1.00 0.00 C ATOM 767 C PRO A 49 -0.822 13.023 -3.515 1.00 0.00 C ATOM 768 O PRO A 49 -1.847 13.266 -4.122 1.00 0.00 O ATOM 769 CB PRO A 49 0.422 13.386 -5.691 1.00 0.00 C ATOM 770 CG PRO A 49 0.538 12.009 -6.384 1.00 0.00 C ATOM 771 CD PRO A 49 1.238 11.070 -5.383 1.00 0.00 C ATOM 0 HA PRO A 49 1.074 13.931 -3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.532 13.859 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.205 14.061 -6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.447 11.626 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.111 12.087 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.702 10.126 -5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.251 10.828 -5.705 1.00 0.00 H new ATOM 779 N ASP A 50 -0.837 12.661 -2.261 1.00 0.00 N ATOM 780 CA ASP A 50 -2.128 12.534 -1.526 1.00 0.00 C ATOM 781 C ASP A 50 -1.854 11.942 -0.140 1.00 0.00 C ATOM 782 O ASP A 50 -2.554 12.218 0.815 1.00 0.00 O ATOM 783 CB ASP A 50 -3.070 11.610 -2.301 1.00 0.00 C ATOM 784 CG ASP A 50 -4.493 12.171 -2.246 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.681 13.297 -2.676 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.368 11.463 -1.774 1.00 0.00 O ATOM 0 H ASP A 50 -0.005 12.446 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.593 13.515 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.741 11.523 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.046 10.607 -1.874 1.00 0.00 H new ATOM 791 N LEU A 51 -0.834 11.134 -0.025 1.00 0.00 N ATOM 792 CA LEU A 51 -0.502 10.525 1.293 1.00 0.00 C ATOM 793 C LEU A 51 0.076 11.600 2.217 1.00 0.00 C ATOM 794 O LEU A 51 0.052 12.775 1.911 1.00 0.00 O ATOM 795 CB LEU A 51 0.539 9.420 1.092 1.00 0.00 C ATOM 796 CG LEU A 51 0.065 8.138 1.777 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.735 7.298 0.781 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.278 7.339 2.257 1.00 0.00 C ATOM 0 H LEU A 51 -0.215 10.869 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.403 10.104 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.693 9.240 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.499 9.731 1.504 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.564 8.391 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.074 6.383 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.598 7.867 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.104 7.044 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.941 6.425 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.907 7.084 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.852 7.938 2.964 1.00 0.00 H new ATOM 810 N ASN A 52 0.598 11.206 3.347 1.00 0.00 N ATOM 811 CA ASN A 52 1.180 12.203 4.288 1.00 0.00 C ATOM 812 C ASN A 52 2.599 11.771 4.666 1.00 0.00 C ATOM 813 O ASN A 52 3.113 12.131 5.707 1.00 0.00 O ATOM 814 CB ASN A 52 0.316 12.278 5.550 1.00 0.00 C ATOM 815 CG ASN A 52 -1.128 12.600 5.163 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.884 11.717 4.807 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.548 13.835 5.219 1.00 0.00 N ATOM 0 H ASN A 52 0.646 10.236 3.659 1.00 0.00 H new ATOM 0 HA ASN A 52 1.210 13.183 3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.357 11.331 6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.702 13.044 6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.510 14.059 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.914 14.576 5.518 1.00 0.00 H new ATOM 824 N ALA A 53 3.234 10.997 3.829 1.00 0.00 N ATOM 825 CA ALA A 53 4.618 10.535 4.135 1.00 0.00 C ATOM 826 C ALA A 53 5.572 11.732 4.160 1.00 0.00 C ATOM 827 O ALA A 53 5.160 12.866 4.306 1.00 0.00 O ATOM 828 CB ALA A 53 5.076 9.549 3.059 1.00 0.00 C ATOM 0 H ALA A 53 2.853 10.664 2.944 1.00 0.00 H new ATOM 0 HA ALA A 53 4.624 10.047 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.088 9.211 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.403 8.692 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.064 10.041 2.086 1.00 0.00 H new ATOM 834 N ALA A 54 6.844 11.485 4.012 1.00 0.00 N ATOM 835 CA ALA A 54 7.831 12.602 4.019 1.00 0.00 C ATOM 836 C ALA A 54 8.696 12.519 2.760 1.00 0.00 C ATOM 837 O ALA A 54 8.490 13.244 1.808 1.00 0.00 O ATOM 838 CB ALA A 54 8.717 12.500 5.264 1.00 0.00 C ATOM 0 H ALA A 54 7.244 10.555 3.886 1.00 0.00 H new ATOM 0 HA ALA A 54 7.303 13.555 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.437 13.318 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.097 12.561 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.249 11.548 5.255 1.00 0.00 H new ATOM 844 N SER A 55 9.658 11.635 2.738 1.00 0.00 N ATOM 845 CA SER A 55 10.518 11.512 1.530 1.00 0.00 C ATOM 846 C SER A 55 10.783 10.042 1.230 1.00 0.00 C ATOM 847 O SER A 55 11.808 9.499 1.583 1.00 0.00 O ATOM 848 CB SER A 55 11.844 12.225 1.755 1.00 0.00 C ATOM 849 OG SER A 55 11.905 12.697 3.094 1.00 0.00 O ATOM 0 H SER A 55 9.883 10.997 3.501 1.00 0.00 H new ATOM 0 HA SER A 55 10.001 11.970 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.673 11.545 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.944 13.058 1.059 1.00 0.00 H new ATOM 0 HG SER A 55 12.759 13.155 3.241 1.00 0.00 H new ATOM 855 N ILE A 56 9.863 9.408 0.565 1.00 0.00 N ATOM 856 CA ILE A 56 10.032 7.965 0.215 1.00 0.00 C ATOM 857 C ILE A 56 10.194 7.129 1.490 1.00 0.00 C ATOM 858 O ILE A 56 9.311 6.390 1.874 1.00 0.00 O ATOM 859 CB ILE A 56 11.270 7.795 -0.668 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.414 9.011 -1.587 1.00 0.00 C ATOM 861 CG2 ILE A 56 11.119 6.532 -1.517 1.00 0.00 C ATOM 862 CD1 ILE A 56 10.171 9.136 -2.471 1.00 0.00 C ATOM 0 H ILE A 56 8.991 9.828 0.244 1.00 0.00 H new ATOM 0 HA ILE A 56 9.148 7.624 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 56 12.156 7.708 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.542 9.916 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.305 8.908 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.000 6.409 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.016 5.665 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.233 6.620 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.275 10.002 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.063 8.236 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.289 9.259 -1.843 1.00 0.00 H new ATOM 874 N GLU A 57 11.320 7.238 2.141 1.00 0.00 N ATOM 875 CA GLU A 57 11.546 6.450 3.384 1.00 0.00 C ATOM 876 C GLU A 57 10.356 6.618 4.330 1.00 0.00 C ATOM 877 O GLU A 57 9.905 5.669 4.942 1.00 0.00 O ATOM 878 CB GLU A 57 12.815 6.951 4.076 1.00 0.00 C ATOM 879 CG GLU A 57 13.314 5.889 5.058 1.00 0.00 C ATOM 880 CD GLU A 57 14.194 6.552 6.118 1.00 0.00 C ATOM 881 OE1 GLU A 57 15.214 7.110 5.748 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.831 6.493 7.281 1.00 0.00 O ATOM 0 H GLU A 57 12.095 7.841 1.864 1.00 0.00 H new ATOM 0 HA GLU A 57 11.655 5.396 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.585 7.167 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.611 7.882 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.469 5.390 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.880 5.123 4.527 1.00 0.00 H new ATOM 889 N ALA A 58 9.839 7.809 4.460 1.00 0.00 N ATOM 890 CA ALA A 58 8.679 8.009 5.374 1.00 0.00 C ATOM 891 C ALA A 58 7.447 7.320 4.784 1.00 0.00 C ATOM 892 O ALA A 58 6.632 6.765 5.493 1.00 0.00 O ATOM 893 CB ALA A 58 8.403 9.503 5.541 1.00 0.00 C ATOM 0 H ALA A 58 10.166 8.646 3.977 1.00 0.00 H new ATOM 0 HA ALA A 58 8.906 7.578 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.554 9.644 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.282 9.990 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.176 9.942 4.569 1.00 0.00 H new ATOM 899 N ALA A 59 7.305 7.351 3.486 1.00 0.00 N ATOM 900 CA ALA A 59 6.128 6.700 2.851 1.00 0.00 C ATOM 901 C ALA A 59 6.147 5.209 3.169 1.00 0.00 C ATOM 902 O ALA A 59 5.149 4.630 3.547 1.00 0.00 O ATOM 903 CB ALA A 59 6.186 6.902 1.336 1.00 0.00 C ATOM 0 H ALA A 59 7.954 7.800 2.840 1.00 0.00 H new ATOM 0 HA ALA A 59 5.211 7.145 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.323 6.424 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.176 7.968 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.101 6.457 0.944 1.00 0.00 H new ATOM 909 N MET A 60 7.280 4.590 3.026 1.00 0.00 N ATOM 910 CA MET A 60 7.382 3.135 3.325 1.00 0.00 C ATOM 911 C MET A 60 7.018 2.907 4.792 1.00 0.00 C ATOM 912 O MET A 60 6.268 2.013 5.124 1.00 0.00 O ATOM 913 CB MET A 60 8.815 2.658 3.076 1.00 0.00 C ATOM 914 CG MET A 60 8.954 2.205 1.622 1.00 0.00 C ATOM 915 SD MET A 60 8.608 3.600 0.524 1.00 0.00 S ATOM 916 CE MET A 60 9.616 3.046 -0.873 1.00 0.00 C ATOM 0 H MET A 60 8.146 5.029 2.713 1.00 0.00 H new ATOM 0 HA MET A 60 6.702 2.577 2.681 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.520 3.462 3.287 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.059 1.836 3.749 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.960 1.827 1.442 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.264 1.386 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.360 3.627 -1.759 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.671 3.187 -0.639 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.425 1.990 -1.064 1.00 0.00 H new ATOM 926 N ARG A 61 7.536 3.717 5.670 1.00 0.00 N ATOM 927 CA ARG A 61 7.208 3.552 7.111 1.00 0.00 C ATOM 928 C ARG A 61 5.698 3.345 7.252 1.00 0.00 C ATOM 929 O ARG A 61 5.241 2.306 7.684 1.00 0.00 O ATOM 930 CB ARG A 61 7.629 4.808 7.876 1.00 0.00 C ATOM 931 CG ARG A 61 7.788 4.473 9.359 1.00 0.00 C ATOM 932 CD ARG A 61 7.405 5.692 10.198 1.00 0.00 C ATOM 933 NE ARG A 61 6.759 5.242 11.462 1.00 0.00 N ATOM 934 CZ ARG A 61 7.487 4.746 12.425 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.454 5.454 12.941 1.00 0.00 N ATOM 936 NH2 ARG A 61 7.248 3.543 12.872 1.00 0.00 N ATOM 0 H ARG A 61 8.171 4.485 5.453 1.00 0.00 H new ATOM 0 HA ARG A 61 7.738 2.691 7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.567 5.192 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.883 5.592 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.157 3.624 9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.817 4.182 9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.291 6.286 10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.725 6.333 9.638 1.00 0.00 H new ATOM 0 HE ARG A 61 5.748 5.321 11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.640 6.394 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.024 5.067 13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.492 2.990 12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.817 3.156 13.625 1.00 0.00 H new ATOM 950 N MET A 62 4.922 4.325 6.877 1.00 0.00 N ATOM 951 CA MET A 62 3.441 4.182 6.974 1.00 0.00 C ATOM 952 C MET A 62 2.968 3.166 5.931 1.00 0.00 C ATOM 953 O MET A 62 2.246 2.237 6.235 1.00 0.00 O ATOM 954 CB MET A 62 2.778 5.535 6.707 1.00 0.00 C ATOM 955 CG MET A 62 3.286 6.562 7.722 1.00 0.00 C ATOM 956 SD MET A 62 2.000 7.800 8.021 1.00 0.00 S ATOM 957 CE MET A 62 1.979 8.511 6.358 1.00 0.00 C ATOM 0 H MET A 62 5.249 5.218 6.508 1.00 0.00 H new ATOM 0 HA MET A 62 3.169 3.839 7.972 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.002 5.868 5.694 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.694 5.442 6.780 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.553 6.066 8.655 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.189 7.043 7.348 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.892 9.595 6.427 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.903 8.253 5.840 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.129 8.113 5.803 1.00 0.00 H new ATOM 967 N ILE A 63 3.378 3.335 4.702 1.00 0.00 N ATOM 968 CA ILE A 63 2.960 2.383 3.634 1.00 0.00 C ATOM 969 C ILE A 63 3.156 0.947 4.131 1.00 0.00 C ATOM 970 O ILE A 63 2.221 0.175 4.215 1.00 0.00 O ATOM 971 CB ILE A 63 3.815 2.621 2.381 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.314 3.871 1.653 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.709 1.414 1.442 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.825 3.721 1.338 1.00 0.00 C ATOM 0 H ILE A 63 3.986 4.093 4.392 1.00 0.00 H new ATOM 0 HA ILE A 63 1.909 2.539 3.389 1.00 0.00 H new ATOM 0 HB ILE A 63 4.855 2.758 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.478 4.754 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.878 4.018 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.318 1.589 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.064 0.521 1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.669 1.273 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.471 4.612 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.674 2.848 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.268 3.596 2.266 1.00 0.00 H new ATOM 986 N GLU A 64 4.366 0.582 4.457 1.00 0.00 N ATOM 987 CA GLU A 64 4.622 -0.801 4.945 1.00 0.00 C ATOM 988 C GLU A 64 3.830 -1.045 6.231 1.00 0.00 C ATOM 989 O GLU A 64 3.128 -2.027 6.362 1.00 0.00 O ATOM 990 CB GLU A 64 6.117 -0.972 5.226 1.00 0.00 C ATOM 991 CG GLU A 64 6.626 -2.237 4.533 1.00 0.00 C ATOM 992 CD GLU A 64 6.550 -3.419 5.502 1.00 0.00 C ATOM 993 OE1 GLU A 64 6.005 -3.243 6.579 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.040 -4.480 5.150 1.00 0.00 O ATOM 0 H GLU A 64 5.188 1.183 4.406 1.00 0.00 H new ATOM 0 HA GLU A 64 4.309 -1.518 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.667 -0.102 4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.291 -1.038 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.028 -2.443 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.654 -2.093 4.199 1.00 0.00 H new ATOM 1001 N GLY A 65 3.937 -0.160 7.184 1.00 0.00 N ATOM 1002 CA GLY A 65 3.187 -0.347 8.457 1.00 0.00 C ATOM 1003 C GLY A 65 1.695 -0.474 8.150 1.00 0.00 C ATOM 1004 O GLY A 65 0.920 -0.939 8.963 1.00 0.00 O ATOM 0 H GLY A 65 4.510 0.682 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.541 -1.239 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.362 0.498 9.123 1.00 0.00 H new ATOM 1008 N THR A 66 1.288 -0.061 6.982 1.00 0.00 N ATOM 1009 CA THR A 66 -0.153 -0.153 6.616 1.00 0.00 C ATOM 1010 C THR A 66 -0.437 -1.513 5.976 1.00 0.00 C ATOM 1011 O THR A 66 -1.342 -2.220 6.370 1.00 0.00 O ATOM 1012 CB THR A 66 -0.493 0.956 5.616 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.174 2.218 6.186 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.982 0.905 5.280 1.00 0.00 C ATOM 0 H THR A 66 1.893 0.337 6.264 1.00 0.00 H new ATOM 0 HA THR A 66 -0.761 -0.041 7.513 1.00 0.00 H new ATOM 0 HB THR A 66 0.085 0.813 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.793 2.367 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.222 1.695 4.568 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.223 -0.064 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.565 1.047 6.190 1.00 0.00 H new ATOM 1022 N ALA A 67 0.327 -1.880 4.985 1.00 0.00 N ATOM 1023 CA ALA A 67 0.099 -3.188 4.309 1.00 0.00 C ATOM 1024 C ALA A 67 0.139 -4.322 5.338 1.00 0.00 C ATOM 1025 O ALA A 67 -0.614 -5.272 5.253 1.00 0.00 O ATOM 1026 CB ALA A 67 1.188 -3.410 3.260 1.00 0.00 C ATOM 0 H ALA A 67 1.101 -1.329 4.613 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.879 -3.180 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.025 -4.366 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.153 -2.607 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.164 -3.415 3.745 1.00 0.00 H new ATOM 1032 N ARG A 68 1.011 -4.238 6.304 1.00 0.00 N ATOM 1033 CA ARG A 68 1.096 -5.321 7.328 1.00 0.00 C ATOM 1034 C ARG A 68 -0.253 -5.463 8.037 1.00 0.00 C ATOM 1035 O ARG A 68 -0.592 -6.518 8.537 1.00 0.00 O ATOM 1036 CB ARG A 68 2.176 -4.972 8.354 1.00 0.00 C ATOM 1037 CG ARG A 68 1.799 -3.678 9.077 1.00 0.00 C ATOM 1038 CD ARG A 68 1.930 -3.881 10.588 1.00 0.00 C ATOM 1039 NE ARG A 68 0.729 -4.601 11.100 1.00 0.00 N ATOM 1040 CZ ARG A 68 0.471 -4.612 12.378 1.00 0.00 C ATOM 1041 NH1 ARG A 68 0.381 -3.487 13.037 1.00 0.00 N ATOM 1042 NH2 ARG A 68 0.303 -5.749 13.001 1.00 0.00 N ATOM 0 H ARG A 68 1.668 -3.468 6.430 1.00 0.00 H new ATOM 0 HA ARG A 68 1.350 -6.261 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.284 -5.784 9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.139 -4.855 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.447 -2.865 8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.778 -3.392 8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.832 -4.451 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.030 -2.917 11.088 1.00 0.00 H new ATOM 0 HE ARG A 68 0.109 -5.085 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.513 -2.600 12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.179 -3.496 14.037 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.374 -6.627 12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.101 -5.758 14.001 1.00 0.00 H new ATOM 1056 N SER A 69 -1.022 -4.413 8.090 1.00 0.00 N ATOM 1057 CA SER A 69 -2.345 -4.491 8.771 1.00 0.00 C ATOM 1058 C SER A 69 -3.346 -5.214 7.869 1.00 0.00 C ATOM 1059 O SER A 69 -4.504 -5.364 8.208 1.00 0.00 O ATOM 1060 CB SER A 69 -2.852 -3.079 9.064 1.00 0.00 C ATOM 1061 OG SER A 69 -3.416 -3.045 10.368 1.00 0.00 O ATOM 0 H SER A 69 -0.792 -3.503 7.691 1.00 0.00 H new ATOM 0 HA SER A 69 -2.237 -5.041 9.706 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.033 -2.363 8.990 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.598 -2.787 8.325 1.00 0.00 H new ATOM 0 HG SER A 69 -3.741 -2.141 10.560 1.00 0.00 H new ATOM 1067 N MET A 70 -2.917 -5.661 6.719 1.00 0.00 N ATOM 1068 CA MET A 70 -3.853 -6.370 5.804 1.00 0.00 C ATOM 1069 C MET A 70 -3.301 -7.760 5.481 1.00 0.00 C ATOM 1070 O MET A 70 -3.720 -8.751 6.046 1.00 0.00 O ATOM 1071 CB MET A 70 -4.004 -5.566 4.510 1.00 0.00 C ATOM 1072 CG MET A 70 -4.569 -4.182 4.834 1.00 0.00 C ATOM 1073 SD MET A 70 -5.250 -3.441 3.331 1.00 0.00 S ATOM 1074 CE MET A 70 -6.976 -3.902 3.615 1.00 0.00 C ATOM 0 H MET A 70 -1.961 -5.565 6.376 1.00 0.00 H new ATOM 0 HA MET A 70 -4.825 -6.472 6.286 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.038 -5.470 4.014 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.666 -6.089 3.819 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.345 -4.263 5.596 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.786 -3.544 5.244 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.590 -3.538 2.791 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.057 -4.987 3.676 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.322 -3.459 4.549 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.364 -7.843 4.577 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.787 -9.169 4.220 1.00 0.00 C ATOM 1086 C GLY A 71 -0.808 -9.000 3.058 1.00 0.00 C ATOM 1087 O GLY A 71 -0.787 -9.785 2.130 1.00 0.00 O ATOM 0 H GLY A 71 -1.973 -7.049 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.276 -9.599 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.582 -9.861 3.943 1.00 0.00 H new ATOM 1091 N ILE A 72 0.010 -7.983 3.106 1.00 0.00 N ATOM 1092 CA ILE A 72 0.990 -7.763 2.008 1.00 0.00 C ATOM 1093 C ILE A 72 2.282 -7.190 2.595 1.00 0.00 C ATOM 1094 O ILE A 72 2.308 -6.096 3.123 1.00 0.00 O ATOM 1095 CB ILE A 72 0.415 -6.773 0.988 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.909 -7.309 0.435 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.406 -6.593 -0.162 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -2.076 -6.599 1.122 1.00 0.00 C ATOM 0 H ILE A 72 0.041 -7.296 3.859 1.00 0.00 H new ATOM 0 HA ILE A 72 1.196 -8.711 1.512 1.00 0.00 H new ATOM 0 HB ILE A 72 0.242 -5.815 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.956 -7.149 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.976 -8.384 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.998 -5.889 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.348 -6.207 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.579 -7.554 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.017 -6.981 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.032 -6.781 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.012 -5.527 0.933 1.00 0.00 H new ATOM 1110 N VAL A 73 3.351 -7.933 2.513 1.00 0.00 N ATOM 1111 CA VAL A 73 4.647 -7.453 3.073 1.00 0.00 C ATOM 1112 C VAL A 73 5.484 -6.803 1.968 1.00 0.00 C ATOM 1113 O VAL A 73 5.156 -6.873 0.800 1.00 0.00 O ATOM 1114 CB VAL A 73 5.416 -8.645 3.647 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.645 -8.148 4.411 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.507 -9.425 4.600 1.00 0.00 C ATOM 0 H VAL A 73 3.383 -8.856 2.080 1.00 0.00 H new ATOM 0 HA VAL A 73 4.452 -6.720 3.856 1.00 0.00 H new ATOM 0 HB VAL A 73 5.736 -9.294 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.190 -9.000 4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.294 -7.592 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.328 -7.497 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.053 -10.275 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.187 -8.773 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.633 -9.784 4.057 1.00 0.00 H new ATOM 1126 N VAL A 74 6.571 -6.174 2.332 1.00 0.00 N ATOM 1127 CA VAL A 74 7.439 -5.523 1.312 1.00 0.00 C ATOM 1128 C VAL A 74 8.905 -5.768 1.675 1.00 0.00 C ATOM 1129 O VAL A 74 9.357 -5.420 2.748 1.00 0.00 O ATOM 1130 CB VAL A 74 7.179 -4.017 1.287 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.884 -3.401 0.078 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.675 -3.750 1.187 1.00 0.00 C ATOM 0 H VAL A 74 6.894 -6.084 3.295 1.00 0.00 H new ATOM 0 HA VAL A 74 7.217 -5.943 0.331 1.00 0.00 H new ATOM 0 HB VAL A 74 7.563 -3.571 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.700 -2.327 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.956 -3.584 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.499 -3.852 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.497 -2.675 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.286 -4.197 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.170 -4.188 2.048 1.00 0.00 H new ATOM 1142 N GLU A 75 9.648 -6.363 0.787 1.00 0.00 N ATOM 1143 CA GLU A 75 11.085 -6.634 1.075 1.00 0.00 C ATOM 1144 C GLU A 75 11.951 -5.987 0.001 1.00 0.00 C ATOM 1145 O GLU A 75 11.466 -5.291 -0.869 1.00 0.00 O ATOM 1146 CB GLU A 75 11.332 -8.143 1.092 1.00 0.00 C ATOM 1147 CG GLU A 75 10.526 -8.783 2.224 1.00 0.00 C ATOM 1148 CD GLU A 75 11.477 -9.259 3.323 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.992 -8.417 4.039 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.674 -10.459 3.431 1.00 0.00 O ATOM 0 H GLU A 75 9.323 -6.675 -0.128 1.00 0.00 H new ATOM 0 HA GLU A 75 11.342 -6.216 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.044 -8.579 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.394 -8.346 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.815 -8.063 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.946 -9.623 1.842 1.00 0.00 H new ATOM 1157 N ASP A 76 13.234 -6.206 0.057 1.00 0.00 N ATOM 1158 CA ASP A 76 14.127 -5.596 -0.961 1.00 0.00 C ATOM 1159 C ASP A 76 15.475 -6.319 -0.960 1.00 0.00 C ATOM 1160 O ASP A 76 16.439 -5.735 -1.427 1.00 0.00 O ATOM 1161 CB ASP A 76 14.340 -4.118 -0.630 1.00 0.00 C ATOM 1162 CG ASP A 76 14.889 -3.990 0.792 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.459 -4.955 1.276 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.732 -2.929 1.373 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.522 -7.445 -0.493 1.00 0.00 O ATOM 0 H ASP A 76 13.700 -6.779 0.761 1.00 0.00 H new ATOM 0 HA ASP A 76 13.669 -5.687 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.034 -3.671 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.399 -3.575 -0.719 1.00 0.00 H new