USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=12 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 180:sc= -2.75! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.144) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00118 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0889) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0858) USER MOD Single : A 47 LYS NZ :NH3+ -142:sc= -2.91 (180deg=-4.48!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0762 X(o=-0.076,f=-0.044) USER MOD Single : A 55 SER OG : rot 82:sc= -0.752! USER MOD Single : A 60 MET CE :methyl -106:sc=-0.00277 (180deg=-0.28) USER MOD Single : A 62 MET CE :methyl 160:sc= -0.0045 (180deg=-0.588) USER MOD Single : A 66 THR OG1 : rot 79:sc= 0.43 USER MOD Single : A 69 SER OG : rot 83:sc= 1.02 USER MOD Single : A 70 MET CE :methyl -164:sc= -3.61! (180deg=-4.03!) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.295 8.360 -6.561 1.00 0.00 N ATOM 110 CA THR A 7 -5.972 6.967 -6.142 1.00 0.00 C ATOM 111 C THR A 7 -6.696 6.648 -4.823 1.00 0.00 C ATOM 112 O THR A 7 -7.251 7.527 -4.194 1.00 0.00 O ATOM 113 CB THR A 7 -4.438 6.832 -5.982 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.001 5.639 -6.618 1.00 0.00 O ATOM 115 CG2 THR A 7 -4.026 6.803 -4.503 1.00 0.00 C ATOM 0 HA THR A 7 -6.309 6.256 -6.897 1.00 0.00 H new ATOM 0 HB THR A 7 -3.971 7.701 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.030 5.553 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.943 6.707 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.343 7.727 -4.019 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.500 5.954 -4.010 1.00 0.00 H new ATOM 123 N PRO A 8 -6.643 5.398 -4.441 1.00 0.00 N ATOM 124 CA PRO A 8 -7.257 4.922 -3.193 1.00 0.00 C ATOM 125 C PRO A 8 -6.322 5.242 -2.025 1.00 0.00 C ATOM 126 O PRO A 8 -5.246 5.768 -2.233 1.00 0.00 O ATOM 127 CB PRO A 8 -7.382 3.409 -3.417 1.00 0.00 C ATOM 128 CG PRO A 8 -6.349 3.037 -4.506 1.00 0.00 C ATOM 129 CD PRO A 8 -5.964 4.345 -5.220 1.00 0.00 C ATOM 0 HA PRO A 8 -8.217 5.381 -2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.186 2.863 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.391 3.146 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.472 2.566 -4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.772 2.322 -5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.884 4.490 -5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.294 4.343 -6.259 1.00 0.00 H new ATOM 137 N PRO A 9 -6.744 4.920 -0.831 1.00 0.00 N ATOM 138 CA PRO A 9 -5.935 5.174 0.370 1.00 0.00 C ATOM 139 C PRO A 9 -4.728 4.231 0.417 1.00 0.00 C ATOM 140 O PRO A 9 -4.400 3.580 -0.555 1.00 0.00 O ATOM 141 CB PRO A 9 -6.910 4.934 1.525 1.00 0.00 C ATOM 142 CG PRO A 9 -8.042 4.048 0.959 1.00 0.00 C ATOM 143 CD PRO A 9 -8.047 4.274 -0.566 1.00 0.00 C ATOM 0 HA PRO A 9 -5.511 6.177 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.411 4.441 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.306 5.877 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.869 2.998 1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.003 4.319 1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.145 3.334 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.878 4.909 -0.874 1.00 0.00 H new ATOM 151 N ALA A 10 -4.046 4.177 1.528 1.00 0.00 N ATOM 152 CA ALA A 10 -2.840 3.305 1.624 1.00 0.00 C ATOM 153 C ALA A 10 -3.216 1.830 1.462 1.00 0.00 C ATOM 154 O ALA A 10 -3.139 1.272 0.386 1.00 0.00 O ATOM 155 CB ALA A 10 -2.179 3.512 2.988 1.00 0.00 C ATOM 0 H ALA A 10 -4.272 4.699 2.375 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.150 3.575 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.296 2.877 3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.885 4.556 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.884 3.250 3.777 1.00 0.00 H new ATOM 161 N ALA A 11 -3.592 1.190 2.532 1.00 0.00 N ATOM 162 CA ALA A 11 -3.944 -0.258 2.460 1.00 0.00 C ATOM 163 C ALA A 11 -4.794 -0.544 1.219 1.00 0.00 C ATOM 164 O ALA A 11 -4.422 -1.331 0.374 1.00 0.00 O ATOM 165 CB ALA A 11 -4.721 -0.659 3.714 1.00 0.00 C ATOM 0 H ALA A 11 -3.672 1.608 3.459 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.023 -0.838 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.978 -1.717 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.106 -0.479 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.634 -0.067 3.781 1.00 0.00 H new ATOM 171 N VAL A 12 -5.939 0.076 1.107 1.00 0.00 N ATOM 172 CA VAL A 12 -6.814 -0.177 -0.075 1.00 0.00 C ATOM 173 C VAL A 12 -5.967 -0.250 -1.350 1.00 0.00 C ATOM 174 O VAL A 12 -6.179 -1.098 -2.194 1.00 0.00 O ATOM 175 CB VAL A 12 -7.835 0.951 -0.208 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.610 0.785 -1.517 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.810 0.894 0.970 1.00 0.00 C ATOM 0 H VAL A 12 -6.306 0.746 1.783 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.333 -1.125 0.065 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.319 1.911 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.339 1.590 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.917 0.821 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.127 -0.175 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.540 1.698 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.326 -0.066 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.260 1.009 1.904 1.00 0.00 H new ATOM 187 N LEU A 13 -5.013 0.629 -1.502 1.00 0.00 N ATOM 188 CA LEU A 13 -4.165 0.598 -2.728 1.00 0.00 C ATOM 189 C LEU A 13 -3.217 -0.594 -2.669 1.00 0.00 C ATOM 190 O LEU A 13 -3.011 -1.290 -3.643 1.00 0.00 O ATOM 191 CB LEU A 13 -3.347 1.884 -2.825 1.00 0.00 C ATOM 192 CG LEU A 13 -2.442 1.820 -4.055 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.965 2.782 -5.125 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.018 2.219 -3.663 1.00 0.00 C ATOM 0 H LEU A 13 -4.785 1.364 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.810 0.509 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.011 2.746 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.747 2.015 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.439 0.804 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.320 2.736 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.979 2.498 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.969 3.798 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.373 2.173 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.021 3.235 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.645 1.534 -2.902 1.00 0.00 H new ATOM 206 N LEU A 14 -2.641 -0.838 -1.530 1.00 0.00 N ATOM 207 CA LEU A 14 -1.708 -1.989 -1.403 1.00 0.00 C ATOM 208 C LEU A 14 -2.503 -3.282 -1.571 1.00 0.00 C ATOM 209 O LEU A 14 -2.124 -4.163 -2.318 1.00 0.00 O ATOM 210 CB LEU A 14 -1.044 -1.965 -0.025 1.00 0.00 C ATOM 211 CG LEU A 14 0.215 -1.099 -0.079 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.182 0.369 -0.238 1.00 0.00 C ATOM 213 CD2 LEU A 14 1.010 -1.272 1.217 1.00 0.00 C ATOM 0 H LEU A 14 -2.775 -0.291 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.934 -1.927 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.738 -1.571 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.788 -2.978 0.284 1.00 0.00 H new ATOM 0 HG LEU A 14 0.829 -1.405 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.715 0.986 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.749 0.495 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.796 0.674 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.908 -0.655 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.396 -0.967 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.294 -2.318 1.333 1.00 0.00 H new ATOM 225 N LYS A 15 -3.612 -3.396 -0.891 1.00 0.00 N ATOM 226 CA LYS A 15 -4.444 -4.625 -1.017 1.00 0.00 C ATOM 227 C LYS A 15 -4.816 -4.825 -2.487 1.00 0.00 C ATOM 228 O LYS A 15 -4.739 -5.913 -3.020 1.00 0.00 O ATOM 229 CB LYS A 15 -5.718 -4.468 -0.186 1.00 0.00 C ATOM 230 CG LYS A 15 -6.386 -5.833 -0.011 1.00 0.00 C ATOM 231 CD LYS A 15 -6.814 -6.007 1.447 1.00 0.00 C ATOM 232 CE LYS A 15 -8.072 -6.874 1.512 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.843 -8.012 2.447 1.00 0.00 N ATOM 0 H LYS A 15 -3.977 -2.689 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.884 -5.488 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.479 -4.041 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.403 -3.777 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.252 -5.913 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.696 -6.627 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.011 -6.471 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.007 -5.034 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.920 -6.278 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.320 -7.249 0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.698 -8.602 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.044 -8.585 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.626 -7.644 3.395 1.00 0.00 H new ATOM 247 N LYS A 16 -5.222 -3.783 -3.153 1.00 0.00 N ATOM 248 CA LYS A 16 -5.587 -3.931 -4.585 1.00 0.00 C ATOM 249 C LYS A 16 -4.321 -4.152 -5.402 1.00 0.00 C ATOM 250 O LYS A 16 -4.215 -5.078 -6.180 1.00 0.00 O ATOM 251 CB LYS A 16 -6.299 -2.667 -5.073 1.00 0.00 C ATOM 252 CG LYS A 16 -7.720 -3.018 -5.516 1.00 0.00 C ATOM 253 CD LYS A 16 -8.520 -3.522 -4.314 1.00 0.00 C ATOM 254 CE LYS A 16 -9.357 -4.732 -4.731 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.302 -4.333 -5.813 1.00 0.00 N ATOM 0 H LYS A 16 -5.316 -2.842 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.256 -4.784 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.329 -1.924 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.748 -2.224 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.205 -2.142 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.692 -3.782 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.845 -3.795 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.168 -2.731 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.707 -5.535 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.910 -5.118 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.044 -5.056 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.738 -3.420 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.785 -4.245 -6.711 1.00 0.00 H new ATOM 269 N ALA A 17 -3.369 -3.292 -5.228 1.00 0.00 N ATOM 270 CA ALA A 17 -2.092 -3.410 -5.988 1.00 0.00 C ATOM 271 C ALA A 17 -1.331 -4.681 -5.588 1.00 0.00 C ATOM 272 O ALA A 17 -1.395 -5.691 -6.259 1.00 0.00 O ATOM 273 CB ALA A 17 -1.216 -2.188 -5.699 1.00 0.00 C ATOM 0 H ALA A 17 -3.415 -2.501 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.326 -3.464 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.281 -2.271 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.741 -1.283 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.002 -2.138 -4.631 1.00 0.00 H new ATOM 279 N ALA A 18 -0.588 -4.627 -4.513 1.00 0.00 N ATOM 280 CA ALA A 18 0.206 -5.816 -4.082 1.00 0.00 C ATOM 281 C ALA A 18 -0.682 -6.830 -3.359 1.00 0.00 C ATOM 282 O ALA A 18 -0.261 -7.931 -3.068 1.00 0.00 O ATOM 283 CB ALA A 18 1.327 -5.363 -3.144 1.00 0.00 C ATOM 0 H ALA A 18 -0.497 -3.807 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 18 0.628 -6.293 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.909 -6.229 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.977 -4.661 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.895 -4.877 -2.269 1.00 0.00 H new ATOM 289 N GLY A 19 -1.901 -6.479 -3.058 1.00 0.00 N ATOM 290 CA GLY A 19 -2.785 -7.447 -2.350 1.00 0.00 C ATOM 291 C GLY A 19 -3.501 -8.332 -3.371 1.00 0.00 C ATOM 292 O GLY A 19 -4.488 -8.970 -3.065 1.00 0.00 O ATOM 0 H GLY A 19 -2.321 -5.573 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.196 -8.063 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.515 -6.911 -1.743 1.00 0.00 H new ATOM 447 N LYS A 31 -0.010 -12.322 5.544 1.00 0.00 N ATOM 448 CA LYS A 31 1.123 -12.710 4.657 1.00 0.00 C ATOM 449 C LYS A 31 0.587 -13.483 3.452 1.00 0.00 C ATOM 450 O LYS A 31 0.801 -14.672 3.316 1.00 0.00 O ATOM 451 CB LYS A 31 2.105 -13.588 5.435 1.00 0.00 C ATOM 452 CG LYS A 31 2.429 -12.926 6.775 1.00 0.00 C ATOM 453 CD LYS A 31 3.603 -13.652 7.435 1.00 0.00 C ATOM 454 CE LYS A 31 4.835 -12.744 7.428 1.00 0.00 C ATOM 455 NZ LYS A 31 6.053 -13.562 7.682 1.00 0.00 N ATOM 0 HA LYS A 31 1.637 -11.813 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.675 -14.576 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.018 -13.731 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.677 -11.876 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.556 -12.956 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.346 -13.926 8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.818 -14.578 6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.919 -12.234 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.736 -11.972 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.891 -12.947 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.971 -14.029 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.149 -14.283 6.938 1.00 0.00 H new ATOM 469 N VAL A 32 -0.108 -12.815 2.572 1.00 0.00 N ATOM 470 CA VAL A 32 -0.657 -13.502 1.370 1.00 0.00 C ATOM 471 C VAL A 32 -0.199 -12.766 0.110 1.00 0.00 C ATOM 472 O VAL A 32 -0.591 -13.094 -0.992 1.00 0.00 O ATOM 473 CB VAL A 32 -2.184 -13.488 1.429 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.665 -14.469 2.500 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.661 -12.077 1.780 1.00 0.00 C ATOM 0 H VAL A 32 -0.320 -11.819 2.635 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.299 -14.531 1.346 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.589 -13.783 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.754 -14.458 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.321 -15.474 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.263 -14.175 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.750 -12.061 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.255 -11.786 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.318 -11.377 1.018 1.00 0.00 H new ATOM 485 N ALA A 33 0.625 -11.768 0.266 1.00 0.00 N ATOM 486 CA ALA A 33 1.104 -11.004 -0.917 1.00 0.00 C ATOM 487 C ALA A 33 2.453 -10.361 -0.596 1.00 0.00 C ATOM 488 O ALA A 33 2.524 -9.338 0.056 1.00 0.00 O ATOM 489 CB ALA A 33 0.088 -9.914 -1.261 1.00 0.00 C ATOM 0 H ALA A 33 0.988 -11.448 1.164 1.00 0.00 H new ATOM 0 HA ALA A 33 1.217 -11.678 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.436 -9.352 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.874 -10.372 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.023 -9.239 -0.412 1.00 0.00 H new ATOM 495 N THR A 34 3.525 -10.954 -1.046 1.00 0.00 N ATOM 496 CA THR A 34 4.867 -10.376 -0.762 1.00 0.00 C ATOM 497 C THR A 34 5.407 -9.695 -2.021 1.00 0.00 C ATOM 498 O THR A 34 5.421 -10.268 -3.093 1.00 0.00 O ATOM 499 CB THR A 34 5.827 -11.490 -0.336 1.00 0.00 C ATOM 500 OG1 THR A 34 5.250 -12.226 0.733 1.00 0.00 O ATOM 501 CG2 THR A 34 7.151 -10.875 0.119 1.00 0.00 C ATOM 0 H THR A 34 3.529 -11.812 -1.597 1.00 0.00 H new ATOM 0 HA THR A 34 4.781 -9.644 0.041 1.00 0.00 H new ATOM 0 HB THR A 34 6.010 -12.157 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.862 -12.941 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.835 -11.668 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.591 -10.310 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.972 -10.208 0.962 1.00 0.00 H new ATOM 509 N ILE A 35 5.861 -8.480 -1.897 1.00 0.00 N ATOM 510 CA ILE A 35 6.409 -7.762 -3.083 1.00 0.00 C ATOM 511 C ILE A 35 7.718 -7.085 -2.695 1.00 0.00 C ATOM 512 O ILE A 35 7.987 -6.848 -1.539 1.00 0.00 O ATOM 513 CB ILE A 35 5.417 -6.694 -3.544 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.707 -6.102 -2.323 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.383 -7.324 -4.480 1.00 0.00 C ATOM 516 CD1 ILE A 35 4.328 -4.648 -2.606 1.00 0.00 C ATOM 0 H ILE A 35 5.877 -7.951 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 35 6.579 -8.475 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 35 5.951 -5.906 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.814 -6.683 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.357 -6.156 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.677 -6.561 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.888 -7.748 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.847 -8.112 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.823 -4.228 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.229 -4.071 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.662 -4.607 -3.468 1.00 0.00 H new ATOM 528 N LYS A 36 8.537 -6.762 -3.647 1.00 0.00 N ATOM 529 CA LYS A 36 9.816 -6.091 -3.307 1.00 0.00 C ATOM 530 C LYS A 36 9.564 -4.588 -3.191 1.00 0.00 C ATOM 531 O LYS A 36 8.460 -4.120 -3.388 1.00 0.00 O ATOM 532 CB LYS A 36 10.846 -6.356 -4.406 1.00 0.00 C ATOM 533 CG LYS A 36 11.880 -7.369 -3.910 1.00 0.00 C ATOM 534 CD LYS A 36 12.765 -7.803 -5.081 1.00 0.00 C ATOM 535 CE LYS A 36 13.879 -6.775 -5.290 1.00 0.00 C ATOM 536 NZ LYS A 36 13.544 -5.909 -6.457 1.00 0.00 N ATOM 0 H LYS A 36 8.380 -6.931 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 36 10.199 -6.479 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.350 -6.736 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.340 -5.426 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.490 -6.927 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.379 -8.235 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.195 -8.785 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.167 -7.896 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.999 -6.166 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.829 -7.282 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.066 -5.013 -6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.809 -6.395 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.522 -5.715 -6.463 1.00 0.00 H new ATOM 550 N ARG A 37 10.573 -3.829 -2.877 1.00 0.00 N ATOM 551 CA ARG A 37 10.378 -2.358 -2.754 1.00 0.00 C ATOM 552 C ARG A 37 9.916 -1.803 -4.098 1.00 0.00 C ATOM 553 O ARG A 37 9.396 -0.711 -4.182 1.00 0.00 O ATOM 554 CB ARG A 37 11.698 -1.698 -2.350 1.00 0.00 C ATOM 555 CG ARG A 37 11.556 -1.078 -0.959 1.00 0.00 C ATOM 556 CD ARG A 37 11.300 -2.182 0.070 1.00 0.00 C ATOM 557 NE ARG A 37 11.277 -1.592 1.437 1.00 0.00 N ATOM 558 CZ ARG A 37 11.516 -2.343 2.476 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.138 -3.593 2.480 1.00 0.00 N ATOM 560 NH2 ARG A 37 12.132 -1.845 3.513 1.00 0.00 N ATOM 0 H ARG A 37 11.521 -4.160 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 37 9.626 -2.148 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.500 -2.436 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.970 -0.931 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.461 -0.528 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.735 -0.361 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.352 -2.677 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.078 -2.943 0.004 1.00 0.00 H new ATOM 0 HE ARG A 37 11.074 -0.600 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.656 -3.982 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.325 -4.180 3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.426 -0.868 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.319 -2.432 4.326 1.00 0.00 H new ATOM 574 N ASP A 38 10.105 -2.552 -5.145 1.00 0.00 N ATOM 575 CA ASP A 38 9.685 -2.086 -6.499 1.00 0.00 C ATOM 576 C ASP A 38 8.184 -1.783 -6.505 1.00 0.00 C ATOM 577 O ASP A 38 7.737 -0.830 -7.117 1.00 0.00 O ATOM 578 CB ASP A 38 9.983 -3.179 -7.528 1.00 0.00 C ATOM 579 CG ASP A 38 11.287 -2.854 -8.258 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.468 -1.704 -8.626 1.00 0.00 O ATOM 581 OD2 ASP A 38 12.084 -3.760 -8.436 1.00 0.00 O ATOM 0 H ASP A 38 10.536 -3.476 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 38 10.236 -1.180 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.063 -4.147 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.163 -3.253 -8.242 1.00 0.00 H new ATOM 586 N LYS A 39 7.402 -2.583 -5.835 1.00 0.00 N ATOM 587 CA LYS A 39 5.933 -2.342 -5.811 1.00 0.00 C ATOM 588 C LYS A 39 5.616 -1.250 -4.802 1.00 0.00 C ATOM 589 O LYS A 39 4.886 -0.321 -5.084 1.00 0.00 O ATOM 590 CB LYS A 39 5.235 -3.612 -5.370 1.00 0.00 C ATOM 591 CG LYS A 39 4.419 -4.190 -6.528 1.00 0.00 C ATOM 592 CD LYS A 39 5.321 -5.067 -7.402 1.00 0.00 C ATOM 593 CE LYS A 39 5.047 -4.767 -8.877 1.00 0.00 C ATOM 594 NZ LYS A 39 5.882 -3.613 -9.311 1.00 0.00 N ATOM 0 H LYS A 39 7.717 -3.394 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 39 5.597 -2.044 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.970 -4.342 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.582 -3.402 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.586 -4.778 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.991 -3.383 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.369 -4.876 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.135 -6.121 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.273 -5.643 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.991 -4.541 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.277 -2.898 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.353 -3.195 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.599 -3.939 -9.990 1.00 0.00 H new ATOM 608 N VAL A 40 6.168 -1.345 -3.627 1.00 0.00 N ATOM 609 CA VAL A 40 5.903 -0.301 -2.612 1.00 0.00 C ATOM 610 C VAL A 40 6.512 0.997 -3.126 1.00 0.00 C ATOM 611 O VAL A 40 6.207 2.074 -2.655 1.00 0.00 O ATOM 612 CB VAL A 40 6.557 -0.689 -1.284 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.116 0.286 -0.190 1.00 0.00 C ATOM 614 CG2 VAL A 40 6.131 -2.108 -0.899 1.00 0.00 C ATOM 0 H VAL A 40 6.788 -2.098 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 40 4.832 -0.187 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 40 7.641 -0.649 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.583 0.008 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.419 1.298 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.032 0.248 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.597 -2.384 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.047 -2.147 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.445 -2.806 -1.675 1.00 0.00 H new ATOM 624 N ARG A 41 7.358 0.900 -4.119 1.00 0.00 N ATOM 625 CA ARG A 41 7.967 2.135 -4.691 1.00 0.00 C ATOM 626 C ARG A 41 6.924 2.835 -5.557 1.00 0.00 C ATOM 627 O ARG A 41 6.521 3.950 -5.289 1.00 0.00 O ATOM 628 CB ARG A 41 9.187 1.788 -5.548 1.00 0.00 C ATOM 629 CG ARG A 41 10.446 2.356 -4.887 1.00 0.00 C ATOM 630 CD ARG A 41 11.573 1.323 -4.957 1.00 0.00 C ATOM 631 NE ARG A 41 12.333 1.500 -6.227 1.00 0.00 N ATOM 632 CZ ARG A 41 12.965 2.617 -6.462 1.00 0.00 C ATOM 633 NH1 ARG A 41 14.181 2.786 -6.018 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.384 3.566 -7.142 1.00 0.00 N ATOM 0 H ARG A 41 7.651 0.026 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 41 8.289 2.786 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.275 0.707 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.071 2.200 -6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.749 3.275 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.239 2.614 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.240 1.439 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.161 0.315 -4.905 1.00 0.00 H new ATOM 0 HE ARG A 41 12.359 0.746 -6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.638 2.044 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.674 3.660 -6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.434 3.436 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.879 4.439 -7.325 1.00 0.00 H new ATOM 648 N GLU A 42 6.473 2.176 -6.590 1.00 0.00 N ATOM 649 CA GLU A 42 5.443 2.788 -7.471 1.00 0.00 C ATOM 650 C GLU A 42 4.197 3.066 -6.636 1.00 0.00 C ATOM 651 O GLU A 42 3.632 4.141 -6.673 1.00 0.00 O ATOM 652 CB GLU A 42 5.101 1.821 -8.606 1.00 0.00 C ATOM 653 CG GLU A 42 6.073 2.033 -9.766 1.00 0.00 C ATOM 654 CD GLU A 42 5.286 2.330 -11.043 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.596 1.438 -11.509 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.384 3.443 -11.530 1.00 0.00 O ATOM 0 H GLU A 42 6.775 1.240 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 42 5.818 3.717 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.160 0.792 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.077 1.984 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.748 2.859 -9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.690 1.145 -9.904 1.00 0.00 H new ATOM 663 N ILE A 43 3.779 2.099 -5.872 1.00 0.00 N ATOM 664 CA ILE A 43 2.583 2.284 -5.010 1.00 0.00 C ATOM 665 C ILE A 43 2.700 3.627 -4.285 1.00 0.00 C ATOM 666 O ILE A 43 1.855 4.490 -4.416 1.00 0.00 O ATOM 667 CB ILE A 43 2.527 1.125 -4.004 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.790 -0.058 -4.636 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.793 1.550 -2.728 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.389 -1.368 -4.123 1.00 0.00 C ATOM 0 H ILE A 43 4.219 1.181 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 43 1.669 2.286 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 43 3.546 0.839 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.729 -0.011 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.869 -0.011 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.765 0.714 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.316 2.389 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.775 1.850 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.863 -2.210 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.445 -1.415 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.287 -1.415 -3.039 1.00 0.00 H new ATOM 682 N ALA A 44 3.746 3.815 -3.530 1.00 0.00 N ATOM 683 CA ALA A 44 3.914 5.107 -2.812 1.00 0.00 C ATOM 684 C ALA A 44 4.021 6.231 -3.844 1.00 0.00 C ATOM 685 O ALA A 44 3.457 7.294 -3.681 1.00 0.00 O ATOM 686 CB ALA A 44 5.190 5.066 -1.968 1.00 0.00 C ATOM 0 H ALA A 44 4.489 3.132 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 44 3.060 5.280 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.310 6.014 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.120 4.256 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.050 4.899 -2.617 1.00 0.00 H new ATOM 692 N GLU A 45 4.738 5.996 -4.910 1.00 0.00 N ATOM 693 CA GLU A 45 4.882 7.044 -5.961 1.00 0.00 C ATOM 694 C GLU A 45 3.506 7.403 -6.513 1.00 0.00 C ATOM 695 O GLU A 45 3.227 8.542 -6.831 1.00 0.00 O ATOM 696 CB GLU A 45 5.766 6.515 -7.094 1.00 0.00 C ATOM 697 CG GLU A 45 7.239 6.713 -6.732 1.00 0.00 C ATOM 698 CD GLU A 45 8.120 6.154 -7.851 1.00 0.00 C ATOM 699 OE1 GLU A 45 8.393 4.964 -7.823 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.504 6.922 -8.717 1.00 0.00 O ATOM 0 H GLU A 45 5.230 5.123 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 45 5.342 7.932 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.562 5.458 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.536 7.038 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.449 7.772 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.464 6.210 -5.792 1.00 0.00 H new ATOM 707 N LEU A 46 2.643 6.438 -6.632 1.00 0.00 N ATOM 708 CA LEU A 46 1.279 6.719 -7.163 1.00 0.00 C ATOM 709 C LEU A 46 0.542 7.639 -6.191 1.00 0.00 C ATOM 710 O LEU A 46 0.253 8.776 -6.498 1.00 0.00 O ATOM 711 CB LEU A 46 0.510 5.405 -7.314 1.00 0.00 C ATOM 712 CG LEU A 46 0.454 5.018 -8.793 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.284 3.504 -8.921 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.733 5.724 -9.456 1.00 0.00 C ATOM 0 H LEU A 46 2.821 5.464 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 46 1.355 7.204 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.997 4.618 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.499 5.513 -6.916 1.00 0.00 H new ATOM 0 HG LEU A 46 1.380 5.319 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.244 3.230 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.127 3.002 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.641 3.199 -8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.776 5.451 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.657 5.421 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.611 6.803 -9.366 1.00 0.00 H new ATOM 726 N LYS A 47 0.238 7.154 -5.019 1.00 0.00 N ATOM 727 CA LYS A 47 -0.473 7.995 -4.012 1.00 0.00 C ATOM 728 C LYS A 47 0.528 8.916 -3.291 1.00 0.00 C ATOM 729 O LYS A 47 0.237 9.458 -2.245 1.00 0.00 O ATOM 730 CB LYS A 47 -1.163 7.083 -2.997 1.00 0.00 C ATOM 731 CG LYS A 47 -2.139 7.898 -2.145 1.00 0.00 C ATOM 732 CD LYS A 47 -2.070 7.418 -0.693 1.00 0.00 C ATOM 733 CE LYS A 47 -2.167 5.892 -0.649 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.821 5.317 -0.371 1.00 0.00 N ATOM 0 H LYS A 47 0.453 6.205 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.216 8.613 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.696 6.286 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.419 6.606 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.891 8.958 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.153 7.787 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.137 7.746 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.881 7.860 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.872 5.584 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.547 5.513 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.694 4.447 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.088 6.006 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.740 5.096 0.642 1.00 0.00 H new ATOM 748 N MET A 48 1.706 9.089 -3.834 1.00 0.00 N ATOM 749 CA MET A 48 2.724 9.959 -3.170 1.00 0.00 C ATOM 750 C MET A 48 2.309 11.434 -3.256 1.00 0.00 C ATOM 751 O MET A 48 2.253 12.112 -2.250 1.00 0.00 O ATOM 752 CB MET A 48 4.076 9.775 -3.862 1.00 0.00 C ATOM 753 CG MET A 48 5.090 9.219 -2.860 1.00 0.00 C ATOM 754 SD MET A 48 6.603 10.210 -2.918 1.00 0.00 S ATOM 755 CE MET A 48 6.537 10.825 -1.217 1.00 0.00 C ATOM 0 H MET A 48 2.008 8.664 -4.711 1.00 0.00 H new ATOM 0 HA MET A 48 2.799 9.674 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.974 9.095 -4.708 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.426 10.728 -4.259 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.670 9.236 -1.854 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.315 8.178 -3.094 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.394 11.472 -1.030 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.617 11.391 -1.070 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.560 9.983 -0.525 1.00 0.00 H new ATOM 765 N PRO A 49 2.036 11.890 -4.451 1.00 0.00 N ATOM 766 CA PRO A 49 1.628 13.287 -4.688 1.00 0.00 C ATOM 767 C PRO A 49 0.188 13.500 -4.222 1.00 0.00 C ATOM 768 O PRO A 49 -0.702 13.783 -5.001 1.00 0.00 O ATOM 769 CB PRO A 49 1.770 13.455 -6.203 1.00 0.00 C ATOM 770 CG PRO A 49 1.711 12.032 -6.805 1.00 0.00 C ATOM 771 CD PRO A 49 2.094 11.062 -5.672 1.00 0.00 C ATOM 0 HA PRO A 49 2.226 14.016 -4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.970 14.079 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.711 13.944 -6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.713 11.812 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.398 11.938 -7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.402 10.222 -5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.090 10.646 -5.824 1.00 0.00 H new ATOM 779 N ASP A 50 -0.037 13.359 -2.944 1.00 0.00 N ATOM 780 CA ASP A 50 -1.403 13.539 -2.380 1.00 0.00 C ATOM 781 C ASP A 50 -1.415 12.984 -0.954 1.00 0.00 C ATOM 782 O ASP A 50 -2.179 13.414 -0.113 1.00 0.00 O ATOM 783 CB ASP A 50 -2.421 12.775 -3.231 1.00 0.00 C ATOM 784 CG ASP A 50 -3.531 13.730 -3.676 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.029 14.460 -2.835 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.862 13.715 -4.850 1.00 0.00 O ATOM 0 H ASP A 50 0.680 13.123 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.667 14.597 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.930 12.340 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.844 11.950 -2.658 1.00 0.00 H new ATOM 791 N LEU A 51 -0.565 12.032 -0.682 1.00 0.00 N ATOM 792 CA LEU A 51 -0.504 11.438 0.680 1.00 0.00 C ATOM 793 C LEU A 51 0.366 12.316 1.579 1.00 0.00 C ATOM 794 O LEU A 51 1.319 12.925 1.131 1.00 0.00 O ATOM 795 CB LEU A 51 0.115 10.043 0.589 1.00 0.00 C ATOM 796 CG LEU A 51 0.078 9.371 1.961 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.323 8.815 2.220 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.094 8.226 1.987 1.00 0.00 C ATOM 0 H LEU A 51 0.095 11.638 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.509 11.372 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.430 9.440 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.144 10.114 0.236 1.00 0.00 H new ATOM 0 HG LEU A 51 0.326 10.100 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.349 8.336 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.048 9.629 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.572 8.084 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.072 7.742 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.842 7.498 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.092 8.621 1.800 1.00 0.00 H new ATOM 810 N ASN A 52 0.054 12.383 2.842 1.00 0.00 N ATOM 811 CA ASN A 52 0.873 13.217 3.763 1.00 0.00 C ATOM 812 C ASN A 52 2.317 12.718 3.743 1.00 0.00 C ATOM 813 O ASN A 52 3.173 13.287 3.094 1.00 0.00 O ATOM 814 CB ASN A 52 0.317 13.109 5.185 1.00 0.00 C ATOM 815 CG ASN A 52 1.217 13.890 6.144 1.00 0.00 C ATOM 816 OD1 ASN A 52 1.223 15.105 6.137 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.985 13.239 6.974 1.00 0.00 N ATOM 0 H ASN A 52 -0.731 11.897 3.276 1.00 0.00 H new ATOM 0 HA ASN A 52 0.839 14.258 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.699 13.502 5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.265 12.063 5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.590 13.750 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.980 12.219 6.980 1.00 0.00 H new ATOM 824 N ALA A 53 2.591 11.656 4.447 1.00 0.00 N ATOM 825 CA ALA A 53 3.978 11.109 4.474 1.00 0.00 C ATOM 826 C ALA A 53 4.977 12.256 4.648 1.00 0.00 C ATOM 827 O ALA A 53 4.605 13.383 4.910 1.00 0.00 O ATOM 828 CB ALA A 53 4.264 10.375 3.162 1.00 0.00 C ATOM 0 H ALA A 53 1.912 11.141 5.007 1.00 0.00 H new ATOM 0 HA ALA A 53 4.077 10.413 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.278 9.975 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.554 9.557 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.164 11.069 2.328 1.00 0.00 H new ATOM 834 N ALA A 54 6.245 11.981 4.508 1.00 0.00 N ATOM 835 CA ALA A 54 7.262 13.062 4.666 1.00 0.00 C ATOM 836 C ALA A 54 8.406 12.849 3.671 1.00 0.00 C ATOM 837 O ALA A 54 9.415 13.527 3.723 1.00 0.00 O ATOM 838 CB ALA A 54 7.821 13.034 6.092 1.00 0.00 C ATOM 0 H ALA A 54 6.621 11.058 4.292 1.00 0.00 H new ATOM 0 HA ALA A 54 6.791 14.026 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.564 13.823 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.011 13.192 6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.287 12.067 6.281 1.00 0.00 H new ATOM 844 N SER A 55 8.262 11.914 2.769 1.00 0.00 N ATOM 845 CA SER A 55 9.337 11.650 1.775 1.00 0.00 C ATOM 846 C SER A 55 9.143 10.250 1.194 1.00 0.00 C ATOM 847 O SER A 55 8.223 9.540 1.547 1.00 0.00 O ATOM 848 CB SER A 55 10.701 11.728 2.462 1.00 0.00 C ATOM 849 OG SER A 55 11.661 11.025 1.684 1.00 0.00 O ATOM 0 H SER A 55 7.438 11.319 2.680 1.00 0.00 H new ATOM 0 HA SER A 55 9.291 12.393 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.003 12.769 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.642 11.299 3.462 1.00 0.00 H new ATOM 0 HG SER A 55 11.978 11.601 0.957 1.00 0.00 H new ATOM 855 N ILE A 56 10.005 9.846 0.306 1.00 0.00 N ATOM 856 CA ILE A 56 9.875 8.490 -0.297 1.00 0.00 C ATOM 857 C ILE A 56 9.902 7.437 0.815 1.00 0.00 C ATOM 858 O ILE A 56 8.888 6.872 1.171 1.00 0.00 O ATOM 859 CB ILE A 56 11.039 8.249 -1.262 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.079 9.372 -2.302 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.848 6.907 -1.969 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.754 9.410 -3.067 1.00 0.00 C ATOM 0 H ILE A 56 10.796 10.396 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 56 8.934 8.419 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 56 11.976 8.235 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.255 10.329 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.906 9.211 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.677 6.736 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.819 6.107 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.912 6.920 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.784 10.210 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.597 8.456 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.936 9.591 -2.370 1.00 0.00 H new ATOM 874 N GLU A 57 11.055 7.170 1.368 1.00 0.00 N ATOM 875 CA GLU A 57 11.144 6.156 2.458 1.00 0.00 C ATOM 876 C GLU A 57 10.135 6.497 3.556 1.00 0.00 C ATOM 877 O GLU A 57 9.691 5.639 4.293 1.00 0.00 O ATOM 878 CB GLU A 57 12.556 6.160 3.047 1.00 0.00 C ATOM 879 CG GLU A 57 12.980 7.597 3.353 1.00 0.00 C ATOM 880 CD GLU A 57 12.820 7.869 4.849 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.396 7.129 5.631 1.00 0.00 O ATOM 882 OE2 GLU A 57 12.126 8.812 5.189 1.00 0.00 O ATOM 0 H GLU A 57 11.939 7.610 1.112 1.00 0.00 H new ATOM 0 HA GLU A 57 10.922 5.169 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.583 5.561 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.255 5.706 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.016 7.753 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.373 8.297 2.778 1.00 0.00 H new ATOM 889 N ALA A 58 9.767 7.745 3.674 1.00 0.00 N ATOM 890 CA ALA A 58 8.788 8.135 4.727 1.00 0.00 C ATOM 891 C ALA A 58 7.433 7.501 4.413 1.00 0.00 C ATOM 892 O ALA A 58 6.854 6.809 5.230 1.00 0.00 O ATOM 893 CB ALA A 58 8.641 9.657 4.752 1.00 0.00 C ATOM 0 H ALA A 58 10.102 8.509 3.087 1.00 0.00 H new ATOM 0 HA ALA A 58 9.141 7.789 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.924 9.941 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.607 10.112 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.286 10.004 3.782 1.00 0.00 H new ATOM 899 N ALA A 59 6.922 7.721 3.232 1.00 0.00 N ATOM 900 CA ALA A 59 5.610 7.121 2.870 1.00 0.00 C ATOM 901 C ALA A 59 5.721 5.602 2.978 1.00 0.00 C ATOM 902 O ALA A 59 4.797 4.923 3.371 1.00 0.00 O ATOM 903 CB ALA A 59 5.242 7.507 1.436 1.00 0.00 C ATOM 0 H ALA A 59 7.357 8.289 2.505 1.00 0.00 H new ATOM 0 HA ALA A 59 4.837 7.488 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.280 7.065 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.176 8.592 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.007 7.139 0.752 1.00 0.00 H new ATOM 909 N MET A 60 6.859 5.077 2.636 1.00 0.00 N ATOM 910 CA MET A 60 7.072 3.607 2.715 1.00 0.00 C ATOM 911 C MET A 60 6.905 3.152 4.168 1.00 0.00 C ATOM 912 O MET A 60 6.241 2.175 4.449 1.00 0.00 O ATOM 913 CB MET A 60 8.487 3.275 2.234 1.00 0.00 C ATOM 914 CG MET A 60 8.415 2.599 0.864 1.00 0.00 C ATOM 915 SD MET A 60 9.766 1.405 0.709 1.00 0.00 S ATOM 916 CE MET A 60 11.043 2.574 0.183 1.00 0.00 C ATOM 0 H MET A 60 7.662 5.609 2.301 1.00 0.00 H new ATOM 0 HA MET A 60 6.345 3.094 2.086 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.084 4.185 2.171 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.981 2.618 2.950 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.455 2.096 0.745 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.484 3.346 0.074 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.242 2.442 -0.881 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.701 3.593 0.364 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.957 2.393 0.748 1.00 0.00 H new ATOM 926 N ARG A 61 7.498 3.858 5.093 1.00 0.00 N ATOM 927 CA ARG A 61 7.367 3.464 6.527 1.00 0.00 C ATOM 928 C ARG A 61 5.884 3.359 6.884 1.00 0.00 C ATOM 929 O ARG A 61 5.416 2.329 7.324 1.00 0.00 O ATOM 930 CB ARG A 61 8.033 4.519 7.413 1.00 0.00 C ATOM 931 CG ARG A 61 9.363 3.976 7.941 1.00 0.00 C ATOM 932 CD ARG A 61 10.162 5.111 8.582 1.00 0.00 C ATOM 933 NE ARG A 61 11.161 4.541 9.530 1.00 0.00 N ATOM 934 CZ ARG A 61 12.296 4.083 9.082 1.00 0.00 C ATOM 935 NH1 ARG A 61 13.213 4.911 8.663 1.00 0.00 N ATOM 936 NH2 ARG A 61 12.515 2.797 9.052 1.00 0.00 N ATOM 0 H ARG A 61 8.066 4.688 4.920 1.00 0.00 H new ATOM 0 HA ARG A 61 7.853 2.502 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.201 5.433 6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.378 4.777 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.181 3.188 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.934 3.530 7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.667 5.695 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.491 5.790 9.108 1.00 0.00 H new ATOM 0 HE ARG A 61 10.957 4.509 10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.041 5.916 8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.101 4.553 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.798 2.150 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.403 2.439 8.701 1.00 0.00 H new ATOM 950 N MET A 62 5.140 4.411 6.685 1.00 0.00 N ATOM 951 CA MET A 62 3.685 4.361 7.005 1.00 0.00 C ATOM 952 C MET A 62 3.000 3.421 6.014 1.00 0.00 C ATOM 953 O MET A 62 2.089 2.692 6.355 1.00 0.00 O ATOM 954 CB MET A 62 3.084 5.762 6.882 1.00 0.00 C ATOM 955 CG MET A 62 1.789 5.835 7.692 1.00 0.00 C ATOM 956 SD MET A 62 1.478 7.550 8.180 1.00 0.00 S ATOM 957 CE MET A 62 1.362 8.240 6.511 1.00 0.00 C ATOM 0 H MET A 62 5.475 5.301 6.316 1.00 0.00 H new ATOM 0 HA MET A 62 3.539 4.000 8.023 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.794 6.507 7.243 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.884 5.993 5.836 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.955 5.457 7.100 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.864 5.202 8.576 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.833 9.193 6.547 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.364 8.396 6.111 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.819 7.548 5.868 1.00 0.00 H new ATOM 967 N ILE A 63 3.444 3.429 4.788 1.00 0.00 N ATOM 968 CA ILE A 63 2.841 2.537 3.762 1.00 0.00 C ATOM 969 C ILE A 63 3.018 1.080 4.206 1.00 0.00 C ATOM 970 O ILE A 63 2.114 0.274 4.103 1.00 0.00 O ATOM 971 CB ILE A 63 3.546 2.780 2.417 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.907 3.984 1.722 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.411 1.552 1.512 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.487 3.627 1.283 1.00 0.00 C ATOM 0 H ILE A 63 4.204 4.020 4.452 1.00 0.00 H new ATOM 0 HA ILE A 63 1.777 2.746 3.648 1.00 0.00 H new ATOM 0 HB ILE A 63 4.603 2.970 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.886 4.838 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.503 4.277 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.915 1.741 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.865 0.689 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.356 1.350 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.033 4.485 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.521 2.785 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.894 3.356 2.156 1.00 0.00 H new ATOM 986 N GLU A 64 4.175 0.741 4.704 1.00 0.00 N ATOM 987 CA GLU A 64 4.416 -0.656 5.159 1.00 0.00 C ATOM 988 C GLU A 64 3.483 -0.985 6.330 1.00 0.00 C ATOM 989 O GLU A 64 2.673 -1.887 6.256 1.00 0.00 O ATOM 990 CB GLU A 64 5.869 -0.799 5.615 1.00 0.00 C ATOM 991 CG GLU A 64 6.781 -0.922 4.393 1.00 0.00 C ATOM 992 CD GLU A 64 8.243 -0.812 4.831 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.510 -0.063 5.755 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.071 -1.479 4.234 1.00 0.00 O ATOM 0 H GLU A 64 4.967 1.374 4.816 1.00 0.00 H new ATOM 0 HA GLU A 64 4.221 -1.342 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.160 0.065 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.976 -1.678 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.611 -1.876 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.547 -0.139 3.672 1.00 0.00 H new ATOM 1001 N GLY A 65 3.599 -0.261 7.410 1.00 0.00 N ATOM 1002 CA GLY A 65 2.726 -0.530 8.590 1.00 0.00 C ATOM 1003 C GLY A 65 1.281 -0.732 8.134 1.00 0.00 C ATOM 1004 O GLY A 65 0.507 -1.412 8.778 1.00 0.00 O ATOM 0 H GLY A 65 4.261 0.506 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.077 -1.417 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.782 0.302 9.292 1.00 0.00 H new ATOM 1008 N THR A 66 0.907 -0.148 7.029 1.00 0.00 N ATOM 1009 CA THR A 66 -0.491 -0.310 6.542 1.00 0.00 C ATOM 1010 C THR A 66 -0.667 -1.709 5.946 1.00 0.00 C ATOM 1011 O THR A 66 -1.609 -2.412 6.252 1.00 0.00 O ATOM 1012 CB THR A 66 -0.786 0.743 5.473 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.833 2.028 6.076 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.131 0.437 4.816 1.00 0.00 C ATOM 0 H THR A 66 1.508 0.433 6.444 1.00 0.00 H new ATOM 0 HA THR A 66 -1.182 -0.182 7.376 1.00 0.00 H new ATOM 0 HB THR A 66 -0.001 0.726 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.079 2.355 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.343 1.187 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.094 -0.550 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.917 0.455 5.571 1.00 0.00 H new ATOM 1022 N ALA A 67 0.235 -2.117 5.095 1.00 0.00 N ATOM 1023 CA ALA A 67 0.119 -3.469 4.479 1.00 0.00 C ATOM 1024 C ALA A 67 0.029 -4.529 5.578 1.00 0.00 C ATOM 1025 O ALA A 67 -0.670 -5.514 5.445 1.00 0.00 O ATOM 1026 CB ALA A 67 1.350 -3.741 3.615 1.00 0.00 C ATOM 0 H ALA A 67 1.046 -1.573 4.800 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.779 -3.508 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.267 -4.730 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.417 -2.988 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.246 -3.699 4.235 1.00 0.00 H new ATOM 1032 N ARG A 68 0.731 -4.338 6.660 1.00 0.00 N ATOM 1033 CA ARG A 68 0.685 -5.338 7.764 1.00 0.00 C ATOM 1034 C ARG A 68 -0.750 -5.475 8.279 1.00 0.00 C ATOM 1035 O ARG A 68 -1.069 -6.391 9.011 1.00 0.00 O ATOM 1036 CB ARG A 68 1.597 -4.883 8.906 1.00 0.00 C ATOM 1037 CG ARG A 68 3.034 -4.764 8.398 1.00 0.00 C ATOM 1038 CD ARG A 68 3.946 -5.683 9.216 1.00 0.00 C ATOM 1039 NE ARG A 68 4.399 -4.968 10.442 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.607 -5.632 11.546 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.179 -6.806 11.503 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.246 -5.124 12.693 1.00 0.00 N ATOM 0 H ARG A 68 1.335 -3.533 6.828 1.00 0.00 H new ATOM 0 HA ARG A 68 1.026 -6.303 7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.258 -3.923 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.549 -5.596 9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.081 -5.034 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.375 -3.732 8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.413 -6.593 9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.807 -5.985 8.619 1.00 0.00 H new ATOM 0 HE ARG A 68 4.547 -3.959 10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.463 -7.203 10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.342 -7.326 12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.801 -4.207 12.727 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.409 -5.644 13.555 1.00 0.00 H new ATOM 1056 N SER A 69 -1.617 -4.574 7.905 1.00 0.00 N ATOM 1057 CA SER A 69 -3.027 -4.663 8.377 1.00 0.00 C ATOM 1058 C SER A 69 -3.740 -5.793 7.635 1.00 0.00 C ATOM 1059 O SER A 69 -4.743 -6.311 8.086 1.00 0.00 O ATOM 1060 CB SER A 69 -3.742 -3.339 8.098 1.00 0.00 C ATOM 1061 OG SER A 69 -2.952 -2.265 8.588 1.00 0.00 O ATOM 0 H SER A 69 -1.411 -3.783 7.295 1.00 0.00 H new ATOM 0 HA SER A 69 -3.041 -4.865 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.911 -3.222 7.027 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.721 -3.333 8.577 1.00 0.00 H new ATOM 0 HG SER A 69 -2.266 -2.036 7.927 1.00 0.00 H new ATOM 1067 N MET A 70 -3.229 -6.183 6.499 1.00 0.00 N ATOM 1068 CA MET A 70 -3.876 -7.283 5.731 1.00 0.00 C ATOM 1069 C MET A 70 -2.878 -8.433 5.556 1.00 0.00 C ATOM 1070 O MET A 70 -2.965 -9.446 6.220 1.00 0.00 O ATOM 1071 CB MET A 70 -4.313 -6.765 4.358 1.00 0.00 C ATOM 1072 CG MET A 70 -5.125 -5.480 4.535 1.00 0.00 C ATOM 1073 SD MET A 70 -4.674 -4.298 3.241 1.00 0.00 S ATOM 1074 CE MET A 70 -3.094 -3.776 3.951 1.00 0.00 C ATOM 0 H MET A 70 -2.392 -5.787 6.070 1.00 0.00 H new ATOM 0 HA MET A 70 -4.752 -7.640 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.440 -6.574 3.734 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.911 -7.519 3.846 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.191 -5.701 4.485 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.935 -5.049 5.518 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.769 -2.851 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.213 -3.611 5.022 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.346 -4.551 3.784 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.927 -8.284 4.672 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.927 -9.372 4.468 1.00 0.00 C ATOM 1086 C GLY A 71 -0.007 -9.027 3.293 1.00 0.00 C ATOM 1087 O GLY A 71 0.491 -9.899 2.609 1.00 0.00 O ATOM 0 H GLY A 71 -1.800 -7.460 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.337 -9.509 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.438 -10.315 4.275 1.00 0.00 H new ATOM 1091 N ILE A 72 0.229 -7.765 3.056 1.00 0.00 N ATOM 1092 CA ILE A 72 1.125 -7.375 1.932 1.00 0.00 C ATOM 1093 C ILE A 72 2.551 -7.229 2.468 1.00 0.00 C ATOM 1094 O ILE A 72 2.945 -6.181 2.937 1.00 0.00 O ATOM 1095 CB ILE A 72 0.650 -6.044 1.331 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.586 -6.288 0.460 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.762 -5.443 0.470 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.588 -7.162 1.215 1.00 0.00 C ATOM 0 H ILE A 72 -0.160 -6.989 3.592 1.00 0.00 H new ATOM 0 HA ILE A 72 1.102 -8.138 1.154 1.00 0.00 H new ATOM 0 HB ILE A 72 0.400 -5.354 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.048 -5.337 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.296 -6.774 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.423 -4.499 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.644 -5.267 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.013 -6.134 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.465 -7.332 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.125 -8.118 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.889 -6.659 2.134 1.00 0.00 H new ATOM 1110 N VAL A 73 3.320 -8.277 2.418 1.00 0.00 N ATOM 1111 CA VAL A 73 4.712 -8.205 2.942 1.00 0.00 C ATOM 1112 C VAL A 73 5.628 -7.533 1.919 1.00 0.00 C ATOM 1113 O VAL A 73 5.308 -7.426 0.752 1.00 0.00 O ATOM 1114 CB VAL A 73 5.211 -9.619 3.230 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.706 -9.581 3.559 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.440 -10.188 4.421 1.00 0.00 C ATOM 0 H VAL A 73 3.046 -9.182 2.037 1.00 0.00 H new ATOM 0 HA VAL A 73 4.722 -7.616 3.859 1.00 0.00 H new ATOM 0 HB VAL A 73 5.053 -10.248 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.059 -10.592 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.255 -9.170 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.870 -8.955 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.791 -11.198 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.602 -9.557 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.376 -10.215 4.186 1.00 0.00 H new ATOM 1126 N VAL A 74 6.770 -7.081 2.358 1.00 0.00 N ATOM 1127 CA VAL A 74 7.727 -6.413 1.432 1.00 0.00 C ATOM 1128 C VAL A 74 9.155 -6.735 1.871 1.00 0.00 C ATOM 1129 O VAL A 74 9.505 -6.600 3.027 1.00 0.00 O ATOM 1130 CB VAL A 74 7.510 -4.899 1.472 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.419 -4.221 0.447 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.049 -4.584 1.139 1.00 0.00 C ATOM 0 H VAL A 74 7.084 -7.146 3.326 1.00 0.00 H new ATOM 0 HA VAL A 74 7.564 -6.772 0.416 1.00 0.00 H new ATOM 0 HB VAL A 74 7.747 -4.528 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.262 -3.143 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.460 -4.443 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.184 -4.593 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.894 -3.505 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.814 -4.958 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.398 -5.064 1.870 1.00 0.00 H new ATOM 1142 N GLU A 75 9.981 -7.166 0.959 1.00 0.00 N ATOM 1143 CA GLU A 75 11.385 -7.504 1.332 1.00 0.00 C ATOM 1144 C GLU A 75 12.358 -6.795 0.385 1.00 0.00 C ATOM 1145 O GLU A 75 12.463 -7.132 -0.777 1.00 0.00 O ATOM 1146 CB GLU A 75 11.590 -9.017 1.232 1.00 0.00 C ATOM 1147 CG GLU A 75 10.322 -9.738 1.694 1.00 0.00 C ATOM 1148 CD GLU A 75 10.689 -11.120 2.238 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.289 -11.179 3.298 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.365 -12.098 1.583 1.00 0.00 O ATOM 0 H GLU A 75 9.747 -7.299 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 75 11.573 -7.176 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.825 -9.295 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.438 -9.321 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.819 -9.154 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.624 -9.837 0.863 1.00 0.00 H new ATOM 1157 N ASP A 76 13.072 -5.818 0.880 1.00 0.00 N ATOM 1158 CA ASP A 76 14.043 -5.081 0.022 1.00 0.00 C ATOM 1159 C ASP A 76 13.433 -4.841 -1.360 1.00 0.00 C ATOM 1160 O ASP A 76 14.188 -4.576 -2.281 1.00 0.00 O ATOM 1161 CB ASP A 76 15.325 -5.903 -0.122 1.00 0.00 C ATOM 1162 CG ASP A 76 16.178 -5.747 1.139 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.816 -4.939 1.978 1.00 0.00 O ATOM 1164 OD2 ASP A 76 17.182 -6.434 1.241 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.223 -4.924 -1.473 1.00 0.00 O ATOM 0 H ASP A 76 13.023 -5.498 1.847 1.00 0.00 H new ATOM 0 HA ASP A 76 14.276 -4.122 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.080 -6.953 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.886 -5.571 -0.996 1.00 0.00 H new