USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= -0.168 (180deg=-1.04) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00208) USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -2.38! (180deg=-3.43!) USER MOD Single : A 48 MET CE :methyl 156:sc= -0.969 (180deg=-2.07!) USER MOD Single : A 52 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.03) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 60 MET CE :methyl -121:sc= 0 (180deg=-0.0522) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 107:sc= 0.948 USER MOD Single : A 69 SER OG : rot -97:sc= 0.0543 USER MOD Single : A 70 MET CE :methyl 175:sc= -6.21! (180deg=-6.94!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.627 7.356 0.180 1.00 0.00 N ATOM 124 CA PRO A 8 -8.889 6.144 0.978 1.00 0.00 C ATOM 125 C PRO A 8 -7.616 5.706 1.712 1.00 0.00 C ATOM 126 O PRO A 8 -6.564 6.283 1.524 1.00 0.00 O ATOM 127 CB PRO A 8 -9.299 5.106 -0.072 1.00 0.00 C ATOM 128 CG PRO A 8 -8.714 5.591 -1.419 1.00 0.00 C ATOM 129 CD PRO A 8 -8.435 7.097 -1.262 1.00 0.00 C ATOM 0 HA PRO A 8 -9.649 6.289 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.913 4.120 0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.384 5.019 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.799 5.051 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.415 5.410 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.423 7.349 -1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.118 7.693 -1.868 1.00 0.00 H new ATOM 137 N PRO A 9 -7.753 4.692 2.529 1.00 0.00 N ATOM 138 CA PRO A 9 -6.629 4.148 3.307 1.00 0.00 C ATOM 139 C PRO A 9 -5.739 3.281 2.413 1.00 0.00 C ATOM 140 O PRO A 9 -6.214 2.580 1.543 1.00 0.00 O ATOM 141 CB PRO A 9 -7.313 3.308 4.390 1.00 0.00 C ATOM 142 CG PRO A 9 -8.719 2.960 3.848 1.00 0.00 C ATOM 143 CD PRO A 9 -9.037 3.994 2.750 1.00 0.00 C ATOM 0 HA PRO A 9 -5.980 4.917 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.742 2.403 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.384 3.863 5.325 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.739 1.948 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.462 3.000 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.390 3.512 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.817 4.686 3.068 1.00 0.00 H new ATOM 151 N ALA A 10 -4.451 3.330 2.615 1.00 0.00 N ATOM 152 CA ALA A 10 -3.532 2.516 1.771 1.00 0.00 C ATOM 153 C ALA A 10 -3.777 1.024 2.023 1.00 0.00 C ATOM 154 O ALA A 10 -3.255 0.176 1.330 1.00 0.00 O ATOM 155 CB ALA A 10 -2.083 2.863 2.119 1.00 0.00 C ATOM 0 H ALA A 10 -3.995 3.899 3.328 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.719 2.736 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.408 2.269 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.907 3.922 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.899 2.646 3.171 1.00 0.00 H new ATOM 161 N ALA A 11 -4.567 0.697 3.009 1.00 0.00 N ATOM 162 CA ALA A 11 -4.838 -0.739 3.298 1.00 0.00 C ATOM 163 C ALA A 11 -5.984 -1.233 2.410 1.00 0.00 C ATOM 164 O ALA A 11 -6.437 -2.355 2.534 1.00 0.00 O ATOM 165 CB ALA A 11 -5.231 -0.898 4.767 1.00 0.00 C ATOM 0 H ALA A 11 -5.035 1.361 3.626 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.941 -1.324 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.429 -1.949 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.417 -0.547 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.127 -0.312 4.969 1.00 0.00 H new ATOM 171 N VAL A 12 -6.460 -0.406 1.520 1.00 0.00 N ATOM 172 CA VAL A 12 -7.579 -0.827 0.634 1.00 0.00 C ATOM 173 C VAL A 12 -7.102 -0.865 -0.823 1.00 0.00 C ATOM 174 O VAL A 12 -7.459 -1.745 -1.580 1.00 0.00 O ATOM 175 CB VAL A 12 -8.736 0.170 0.781 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.483 1.411 -0.080 1.00 0.00 C ATOM 177 CG2 VAL A 12 -10.035 -0.499 0.337 1.00 0.00 C ATOM 0 H VAL A 12 -6.121 0.544 1.369 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.918 -1.823 0.918 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.812 0.475 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.312 2.109 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.558 1.892 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.399 1.117 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.861 0.205 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.948 -0.807 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.225 -1.374 0.959 1.00 0.00 H new ATOM 187 N LEU A 13 -6.304 0.089 -1.222 1.00 0.00 N ATOM 188 CA LEU A 13 -5.812 0.110 -2.629 1.00 0.00 C ATOM 189 C LEU A 13 -4.584 -0.794 -2.762 1.00 0.00 C ATOM 190 O LEU A 13 -4.425 -1.497 -3.741 1.00 0.00 O ATOM 191 CB LEU A 13 -5.433 1.541 -3.016 1.00 0.00 C ATOM 192 CG LEU A 13 -6.701 2.385 -3.165 1.00 0.00 C ATOM 193 CD1 LEU A 13 -6.334 3.869 -3.118 1.00 0.00 C ATOM 194 CD2 LEU A 13 -7.369 2.068 -4.506 1.00 0.00 C ATOM 0 H LEU A 13 -5.972 0.854 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.600 -0.252 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.783 1.974 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.873 1.539 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.389 2.155 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.237 4.471 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.857 4.096 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.647 4.100 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.272 2.668 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.681 2.299 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.630 1.010 -4.541 1.00 0.00 H new ATOM 206 N LEU A 14 -3.713 -0.784 -1.790 1.00 0.00 N ATOM 207 CA LEU A 14 -2.502 -1.648 -1.872 1.00 0.00 C ATOM 208 C LEU A 14 -2.923 -3.072 -2.235 1.00 0.00 C ATOM 209 O LEU A 14 -2.666 -3.546 -3.324 1.00 0.00 O ATOM 210 CB LEU A 14 -1.785 -1.654 -0.521 1.00 0.00 C ATOM 211 CG LEU A 14 -1.180 -0.275 -0.260 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.521 -0.258 1.120 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.131 0.032 -1.330 1.00 0.00 C ATOM 0 H LEU A 14 -3.787 -0.217 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.827 -1.261 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.485 -1.912 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.003 -2.413 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.967 0.479 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.090 0.726 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.268 -0.476 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.266 -1.012 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.301 1.015 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.655 -0.722 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.601 0.022 -2.314 1.00 0.00 H new ATOM 225 N LYS A 15 -3.575 -3.754 -1.330 1.00 0.00 N ATOM 226 CA LYS A 15 -4.024 -5.147 -1.617 1.00 0.00 C ATOM 227 C LYS A 15 -4.564 -5.226 -3.048 1.00 0.00 C ATOM 228 O LYS A 15 -4.495 -6.255 -3.692 1.00 0.00 O ATOM 229 CB LYS A 15 -5.133 -5.534 -0.635 1.00 0.00 C ATOM 230 CG LYS A 15 -4.549 -6.392 0.488 1.00 0.00 C ATOM 231 CD LYS A 15 -5.584 -7.433 0.924 1.00 0.00 C ATOM 232 CE LYS A 15 -5.430 -7.711 2.420 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.770 -7.973 3.017 1.00 0.00 N ATOM 0 H LYS A 15 -3.816 -3.405 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.182 -5.830 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.593 -4.638 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.918 -6.083 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.640 -6.888 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.271 -5.763 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.590 -7.071 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.450 -8.354 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.776 -8.569 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.961 -6.859 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.666 -8.162 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.380 -7.142 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.201 -8.798 2.554 1.00 0.00 H new ATOM 247 N LYS A 16 -5.098 -4.146 -3.549 1.00 0.00 N ATOM 248 CA LYS A 16 -5.642 -4.154 -4.937 1.00 0.00 C ATOM 249 C LYS A 16 -4.508 -4.425 -5.930 1.00 0.00 C ATOM 250 O LYS A 16 -4.580 -5.332 -6.736 1.00 0.00 O ATOM 251 CB LYS A 16 -6.269 -2.793 -5.248 1.00 0.00 C ATOM 252 CG LYS A 16 -7.403 -2.972 -6.259 1.00 0.00 C ATOM 253 CD LYS A 16 -7.934 -1.599 -6.678 1.00 0.00 C ATOM 254 CE LYS A 16 -9.164 -1.777 -7.569 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.209 -2.536 -6.823 1.00 0.00 N ATOM 0 H LYS A 16 -5.181 -3.257 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.398 -4.934 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.651 -2.339 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.514 -2.116 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.044 -3.517 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.205 -3.566 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.193 -1.013 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.161 -1.046 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.552 -0.804 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.893 -2.310 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.145 -2.130 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.192 -3.533 -7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.020 -2.476 -5.802 1.00 0.00 H new ATOM 269 N ALA A 17 -3.465 -3.642 -5.879 1.00 0.00 N ATOM 270 CA ALA A 17 -2.326 -3.850 -6.818 1.00 0.00 C ATOM 271 C ALA A 17 -2.025 -5.344 -6.934 1.00 0.00 C ATOM 272 O ALA A 17 -2.198 -5.944 -7.977 1.00 0.00 O ATOM 273 CB ALA A 17 -1.091 -3.120 -6.288 1.00 0.00 C ATOM 0 H ALA A 17 -3.352 -2.866 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.588 -3.457 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.257 -3.271 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.305 -2.054 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.829 -3.514 -5.306 1.00 0.00 H new ATOM 279 N ALA A 18 -1.574 -5.950 -5.871 1.00 0.00 N ATOM 280 CA ALA A 18 -1.262 -7.406 -5.921 1.00 0.00 C ATOM 281 C ALA A 18 -2.495 -8.175 -6.398 1.00 0.00 C ATOM 282 O ALA A 18 -2.592 -8.560 -7.546 1.00 0.00 O ATOM 283 CB ALA A 18 -0.867 -7.890 -4.524 1.00 0.00 C ATOM 0 H ALA A 18 -1.408 -5.501 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.437 -7.578 -6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.638 -8.955 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.011 -7.341 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.692 -7.719 -3.833 1.00 0.00 H new ATOM 289 N GLY A 19 -3.439 -8.399 -5.526 1.00 0.00 N ATOM 290 CA GLY A 19 -4.665 -9.144 -5.927 1.00 0.00 C ATOM 291 C GLY A 19 -4.964 -10.228 -4.891 1.00 0.00 C ATOM 292 O GLY A 19 -4.815 -11.406 -5.151 1.00 0.00 O ATOM 0 H GLY A 19 -3.414 -8.098 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.510 -8.460 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.525 -9.594 -6.910 1.00 0.00 H new ATOM 485 N ALA A 33 2.003 -13.906 -1.698 1.00 0.00 N ATOM 486 CA ALA A 33 1.703 -12.703 -2.525 1.00 0.00 C ATOM 487 C ALA A 33 2.813 -11.669 -2.331 1.00 0.00 C ATOM 488 O ALA A 33 2.924 -11.052 -1.290 1.00 0.00 O ATOM 489 CB ALA A 33 0.364 -12.102 -2.089 1.00 0.00 C ATOM 0 HA ALA A 33 1.646 -12.987 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.146 -11.222 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.427 -12.840 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.419 -11.815 -1.039 1.00 0.00 H new ATOM 495 N THR A 34 3.641 -11.479 -3.322 1.00 0.00 N ATOM 496 CA THR A 34 4.747 -10.489 -3.186 1.00 0.00 C ATOM 497 C THR A 34 4.426 -9.235 -4.002 1.00 0.00 C ATOM 498 O THR A 34 3.848 -9.306 -5.069 1.00 0.00 O ATOM 499 CB THR A 34 6.051 -11.107 -3.701 1.00 0.00 C ATOM 500 OG1 THR A 34 5.753 -12.076 -4.696 1.00 0.00 O ATOM 501 CG2 THR A 34 6.794 -11.775 -2.543 1.00 0.00 C ATOM 0 H THR A 34 3.600 -11.965 -4.218 1.00 0.00 H new ATOM 0 HA THR A 34 4.857 -10.218 -2.136 1.00 0.00 H new ATOM 0 HB THR A 34 6.679 -10.326 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.586 -12.471 -5.028 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.721 -12.214 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.022 -11.031 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.168 -12.557 -2.112 1.00 0.00 H new ATOM 509 N ILE A 35 4.804 -8.087 -3.508 1.00 0.00 N ATOM 510 CA ILE A 35 4.531 -6.825 -4.252 1.00 0.00 C ATOM 511 C ILE A 35 5.844 -6.068 -4.450 1.00 0.00 C ATOM 512 O ILE A 35 6.430 -5.567 -3.510 1.00 0.00 O ATOM 513 CB ILE A 35 3.557 -5.959 -3.451 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.207 -6.670 -3.350 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.372 -4.614 -4.157 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.156 -5.699 -2.810 1.00 0.00 C ATOM 0 H ILE A 35 5.291 -7.969 -2.620 1.00 0.00 H new ATOM 0 HA ILE A 35 4.091 -7.058 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 35 3.957 -5.793 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.905 -7.041 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.289 -7.536 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.678 -3.996 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.334 -4.106 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.972 -4.780 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.194 -6.207 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.457 -5.350 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.067 -4.847 -3.484 1.00 0.00 H new ATOM 528 N LYS A 36 6.315 -5.982 -5.663 1.00 0.00 N ATOM 529 CA LYS A 36 7.592 -5.260 -5.916 1.00 0.00 C ATOM 530 C LYS A 36 7.542 -3.883 -5.250 1.00 0.00 C ATOM 531 O LYS A 36 6.485 -3.367 -4.948 1.00 0.00 O ATOM 532 CB LYS A 36 7.792 -5.090 -7.423 1.00 0.00 C ATOM 533 CG LYS A 36 7.670 -6.451 -8.110 1.00 0.00 C ATOM 534 CD LYS A 36 6.302 -6.562 -8.783 1.00 0.00 C ATOM 535 CE LYS A 36 6.484 -6.966 -10.246 1.00 0.00 C ATOM 536 NZ LYS A 36 5.887 -5.921 -11.125 1.00 0.00 N ATOM 0 H LYS A 36 5.870 -6.381 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 36 8.421 -5.834 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.049 -4.400 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.771 -4.656 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.462 -6.569 -8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.794 -7.251 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.689 -7.299 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.776 -5.609 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.543 -7.086 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.007 -7.929 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.010 -6.194 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.873 -5.828 -10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.361 -5.011 -10.954 1.00 0.00 H new ATOM 550 N ARG A 37 8.679 -3.283 -5.026 1.00 0.00 N ATOM 551 CA ARG A 37 8.700 -1.940 -4.389 1.00 0.00 C ATOM 552 C ARG A 37 8.377 -0.894 -5.450 1.00 0.00 C ATOM 553 O ARG A 37 7.823 0.149 -5.167 1.00 0.00 O ATOM 554 CB ARG A 37 10.093 -1.671 -3.815 1.00 0.00 C ATOM 555 CG ARG A 37 9.964 -0.983 -2.455 1.00 0.00 C ATOM 556 CD ARG A 37 9.235 -1.911 -1.482 1.00 0.00 C ATOM 557 NE ARG A 37 9.734 -1.673 -0.099 1.00 0.00 N ATOM 558 CZ ARG A 37 11.017 -1.650 0.140 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.846 -2.227 -0.687 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.472 -1.049 1.205 1.00 0.00 N ATOM 0 H ARG A 37 9.595 -3.667 -5.258 1.00 0.00 H new ATOM 0 HA ARG A 37 7.966 -1.895 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.641 -2.607 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.664 -1.043 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.951 -0.734 -2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.417 -0.046 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.161 -1.732 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.397 -2.951 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 37 9.072 -1.528 0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.491 -2.696 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.849 -2.209 -0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.825 -0.597 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.475 -1.031 1.391 1.00 0.00 H new ATOM 574 N ASP A 38 8.718 -1.172 -6.676 1.00 0.00 N ATOM 575 CA ASP A 38 8.429 -0.203 -7.766 1.00 0.00 C ATOM 576 C ASP A 38 6.913 -0.096 -7.951 1.00 0.00 C ATOM 577 O ASP A 38 6.415 0.817 -8.578 1.00 0.00 O ATOM 578 CB ASP A 38 9.069 -0.690 -9.068 1.00 0.00 C ATOM 579 CG ASP A 38 8.882 -2.203 -9.196 1.00 0.00 C ATOM 580 OD1 ASP A 38 7.787 -2.670 -8.929 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.837 -2.869 -9.559 1.00 0.00 O ATOM 0 H ASP A 38 9.185 -2.030 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 38 8.839 0.773 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.615 -0.184 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.130 -0.442 -9.078 1.00 0.00 H new ATOM 586 N LYS A 39 6.177 -1.027 -7.405 1.00 0.00 N ATOM 587 CA LYS A 39 4.694 -0.985 -7.543 1.00 0.00 C ATOM 588 C LYS A 39 4.083 -0.415 -6.262 1.00 0.00 C ATOM 589 O LYS A 39 3.417 0.602 -6.280 1.00 0.00 O ATOM 590 CB LYS A 39 4.163 -2.402 -7.773 1.00 0.00 C ATOM 591 CG LYS A 39 2.899 -2.342 -8.633 1.00 0.00 C ATOM 592 CD LYS A 39 3.287 -2.381 -10.111 1.00 0.00 C ATOM 593 CE LYS A 39 2.109 -1.903 -10.962 1.00 0.00 C ATOM 594 NZ LYS A 39 1.051 -2.954 -10.979 1.00 0.00 N ATOM 0 H LYS A 39 6.540 -1.815 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 39 4.424 -0.354 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.922 -3.010 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.943 -2.879 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.244 -3.181 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.341 -1.431 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.156 -1.747 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.568 -3.394 -10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.707 -0.974 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.442 -1.691 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.257 -2.637 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.443 -3.835 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.714 -3.123 -10.010 1.00 0.00 H new ATOM 608 N VAL A 40 4.306 -1.060 -5.150 1.00 0.00 N ATOM 609 CA VAL A 40 3.740 -0.552 -3.869 1.00 0.00 C ATOM 610 C VAL A 40 4.112 0.929 -3.713 1.00 0.00 C ATOM 611 O VAL A 40 3.311 1.747 -3.300 1.00 0.00 O ATOM 612 CB VAL A 40 4.301 -1.395 -2.703 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.470 -0.677 -2.012 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.188 -1.644 -1.686 1.00 0.00 C ATOM 0 H VAL A 40 4.855 -1.916 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 40 2.653 -0.638 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 40 4.668 -2.340 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.844 -1.294 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.269 -0.506 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.127 0.279 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.577 -2.239 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.822 -0.690 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.370 -2.181 -2.166 1.00 0.00 H new ATOM 624 N ARG A 41 5.325 1.270 -4.048 1.00 0.00 N ATOM 625 CA ARG A 41 5.774 2.685 -3.931 1.00 0.00 C ATOM 626 C ARG A 41 5.014 3.551 -4.938 1.00 0.00 C ATOM 627 O ARG A 41 4.729 4.706 -4.688 1.00 0.00 O ATOM 628 CB ARG A 41 7.277 2.752 -4.220 1.00 0.00 C ATOM 629 CG ARG A 41 7.732 4.211 -4.290 1.00 0.00 C ATOM 630 CD ARG A 41 8.691 4.383 -5.470 1.00 0.00 C ATOM 631 NE ARG A 41 9.336 5.724 -5.400 1.00 0.00 N ATOM 632 CZ ARG A 41 9.251 6.541 -6.413 1.00 0.00 C ATOM 633 NH1 ARG A 41 9.414 6.092 -7.628 1.00 0.00 N ATOM 634 NH2 ARG A 41 9.000 7.806 -6.212 1.00 0.00 N ATOM 0 H ARG A 41 6.030 0.623 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 41 5.575 3.055 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.829 2.227 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.498 2.248 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.870 4.868 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.225 4.496 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.451 3.602 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.149 4.278 -6.410 1.00 0.00 H new ATOM 0 HE ARG A 41 9.844 6.003 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.608 5.103 -7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.348 6.730 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.870 8.156 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.934 8.445 -7.004 1.00 0.00 H new ATOM 648 N GLU A 42 4.682 3.006 -6.076 1.00 0.00 N ATOM 649 CA GLU A 42 3.939 3.802 -7.094 1.00 0.00 C ATOM 650 C GLU A 42 2.600 4.255 -6.511 1.00 0.00 C ATOM 651 O GLU A 42 2.233 5.410 -6.597 1.00 0.00 O ATOM 652 CB GLU A 42 3.687 2.940 -8.333 1.00 0.00 C ATOM 653 CG GLU A 42 3.800 3.806 -9.589 1.00 0.00 C ATOM 654 CD GLU A 42 3.092 3.113 -10.755 1.00 0.00 C ATOM 655 OE1 GLU A 42 2.190 2.333 -10.496 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.465 3.372 -11.887 1.00 0.00 O ATOM 0 H GLU A 42 4.893 2.045 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 42 4.530 4.675 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.409 2.124 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.697 2.487 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.355 4.785 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.849 3.973 -9.835 1.00 0.00 H new ATOM 663 N ILE A 43 1.868 3.352 -5.919 1.00 0.00 N ATOM 664 CA ILE A 43 0.553 3.729 -5.332 1.00 0.00 C ATOM 665 C ILE A 43 0.759 4.824 -4.284 1.00 0.00 C ATOM 666 O ILE A 43 0.119 5.859 -4.318 1.00 0.00 O ATOM 667 CB ILE A 43 -0.079 2.500 -4.675 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.176 1.369 -5.702 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.480 2.850 -4.172 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.121 0.019 -4.985 1.00 0.00 C ATOM 0 H ILE A 43 2.124 2.370 -5.817 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.106 4.100 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 43 0.538 2.181 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.105 1.455 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.641 1.445 -6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.928 1.973 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.413 3.657 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.098 3.170 -5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.190 -0.785 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.820 -0.066 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.953 -0.055 -4.285 1.00 0.00 H new ATOM 682 N ALA A 44 1.648 4.610 -3.352 1.00 0.00 N ATOM 683 CA ALA A 44 1.889 5.646 -2.310 1.00 0.00 C ATOM 684 C ALA A 44 2.227 6.974 -2.990 1.00 0.00 C ATOM 685 O ALA A 44 1.898 8.037 -2.499 1.00 0.00 O ATOM 686 CB ALA A 44 3.053 5.217 -1.417 1.00 0.00 C ATOM 0 H ALA A 44 2.215 3.766 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 44 0.994 5.764 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.227 5.977 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.812 4.269 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.951 5.098 -2.023 1.00 0.00 H new ATOM 692 N GLU A 45 2.877 6.923 -4.120 1.00 0.00 N ATOM 693 CA GLU A 45 3.230 8.181 -4.833 1.00 0.00 C ATOM 694 C GLU A 45 1.947 8.879 -5.285 1.00 0.00 C ATOM 695 O GLU A 45 1.828 10.086 -5.220 1.00 0.00 O ATOM 696 CB GLU A 45 4.093 7.858 -6.054 1.00 0.00 C ATOM 697 CG GLU A 45 5.162 8.938 -6.222 1.00 0.00 C ATOM 698 CD GLU A 45 5.693 8.912 -7.656 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.053 8.298 -8.493 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.731 9.507 -7.892 1.00 0.00 O ATOM 0 H GLU A 45 3.179 6.064 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 45 3.788 8.835 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.563 6.882 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.472 7.804 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.742 9.918 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.977 8.770 -5.518 1.00 0.00 H new ATOM 707 N LEU A 46 0.982 8.126 -5.740 1.00 0.00 N ATOM 708 CA LEU A 46 -0.295 8.746 -6.189 1.00 0.00 C ATOM 709 C LEU A 46 -0.923 9.504 -5.019 1.00 0.00 C ATOM 710 O LEU A 46 -1.418 10.603 -5.172 1.00 0.00 O ATOM 711 CB LEU A 46 -1.255 7.654 -6.664 1.00 0.00 C ATOM 712 CG LEU A 46 -1.564 7.859 -8.148 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.972 9.314 -8.388 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.318 7.536 -8.974 1.00 0.00 C ATOM 0 H LEU A 46 1.024 7.110 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.099 9.435 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.812 6.671 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.176 7.686 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.380 7.200 -8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.192 9.460 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.858 9.546 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.156 9.974 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.535 7.681 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.497 8.196 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.026 6.500 -8.802 1.00 0.00 H new ATOM 726 N LYS A 47 -0.902 8.927 -3.849 1.00 0.00 N ATOM 727 CA LYS A 47 -1.493 9.618 -2.669 1.00 0.00 C ATOM 728 C LYS A 47 -0.385 10.328 -1.889 1.00 0.00 C ATOM 729 O LYS A 47 -0.594 10.808 -0.795 1.00 0.00 O ATOM 730 CB LYS A 47 -2.171 8.590 -1.761 1.00 0.00 C ATOM 731 CG LYS A 47 -3.094 7.701 -2.597 1.00 0.00 C ATOM 732 CD LYS A 47 -2.732 6.233 -2.369 1.00 0.00 C ATOM 733 CE LYS A 47 -2.933 5.882 -0.894 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.821 4.407 -0.715 1.00 0.00 N ATOM 0 H LYS A 47 -0.502 8.008 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.229 10.347 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.419 7.981 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.743 9.097 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.134 7.877 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.998 7.950 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.354 5.593 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.697 6.053 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.187 6.391 -0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.911 6.227 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.711 4.036 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.632 3.959 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.042 4.195 -0.060 1.00 0.00 H new ATOM 748 N MET A 48 0.794 10.392 -2.444 1.00 0.00 N ATOM 749 CA MET A 48 1.920 11.063 -1.735 1.00 0.00 C ATOM 750 C MET A 48 1.511 12.483 -1.327 1.00 0.00 C ATOM 751 O MET A 48 1.662 12.862 -0.183 1.00 0.00 O ATOM 752 CB MET A 48 3.136 11.126 -2.658 1.00 0.00 C ATOM 753 CG MET A 48 4.378 10.654 -1.901 1.00 0.00 C ATOM 754 SD MET A 48 4.699 11.773 -0.515 1.00 0.00 S ATOM 755 CE MET A 48 5.973 12.773 -1.320 1.00 0.00 C ATOM 0 H MET A 48 1.027 10.008 -3.360 1.00 0.00 H new ATOM 0 HA MET A 48 2.169 10.494 -0.839 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.972 10.500 -3.535 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.281 12.145 -3.016 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.230 9.638 -1.536 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.238 10.630 -2.570 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.019 13.754 -0.847 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.939 12.278 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.730 12.891 -2.376 1.00 0.00 H new ATOM 765 N PRO A 49 1.009 13.232 -2.279 1.00 0.00 N ATOM 766 CA PRO A 49 0.572 14.623 -2.053 1.00 0.00 C ATOM 767 C PRO A 49 -0.823 14.670 -1.415 1.00 0.00 C ATOM 768 O PRO A 49 -1.551 15.631 -1.573 1.00 0.00 O ATOM 769 CB PRO A 49 0.538 15.217 -3.463 1.00 0.00 C ATOM 770 CG PRO A 49 0.395 14.024 -4.439 1.00 0.00 C ATOM 771 CD PRO A 49 0.836 12.765 -3.670 1.00 0.00 C ATOM 0 HA PRO A 49 1.228 15.165 -1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.296 15.910 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.448 15.780 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.635 13.926 -4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.013 14.173 -5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.087 11.976 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.764 12.358 -4.072 1.00 0.00 H new ATOM 779 N ASP A 50 -1.206 13.649 -0.696 1.00 0.00 N ATOM 780 CA ASP A 50 -2.551 13.652 -0.058 1.00 0.00 C ATOM 781 C ASP A 50 -2.412 13.326 1.431 1.00 0.00 C ATOM 782 O ASP A 50 -3.149 13.825 2.257 1.00 0.00 O ATOM 783 CB ASP A 50 -3.437 12.601 -0.729 1.00 0.00 C ATOM 784 CG ASP A 50 -4.034 13.177 -2.015 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.322 13.228 -3.004 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.193 13.560 -1.988 1.00 0.00 O ATOM 0 H ASP A 50 -0.645 12.815 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.004 14.637 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.853 11.709 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.234 12.296 -0.051 1.00 0.00 H new ATOM 791 N LEU A 51 -1.473 12.488 1.781 1.00 0.00 N ATOM 792 CA LEU A 51 -1.294 12.130 3.217 1.00 0.00 C ATOM 793 C LEU A 51 -0.414 13.180 3.901 1.00 0.00 C ATOM 794 O LEU A 51 0.023 13.002 5.020 1.00 0.00 O ATOM 795 CB LEU A 51 -0.624 10.757 3.328 1.00 0.00 C ATOM 796 CG LEU A 51 -1.130 9.840 2.211 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.034 9.468 1.293 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.719 8.568 2.823 1.00 0.00 C ATOM 0 H LEU A 51 -0.824 12.037 1.136 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.269 12.098 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.459 10.864 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.840 10.314 4.300 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.898 10.357 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.325 8.815 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.457 10.373 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.801 8.950 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.079 7.915 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.950 8.051 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.548 8.831 3.481 1.00 0.00 H new ATOM 810 N ASN A 52 -0.151 14.274 3.238 1.00 0.00 N ATOM 811 CA ASN A 52 0.700 15.331 3.854 1.00 0.00 C ATOM 812 C ASN A 52 2.085 14.756 4.158 1.00 0.00 C ATOM 813 O ASN A 52 2.836 15.301 4.943 1.00 0.00 O ATOM 814 CB ASN A 52 0.052 15.815 5.154 1.00 0.00 C ATOM 815 CG ASN A 52 0.320 17.311 5.338 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.493 18.021 5.897 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.434 17.823 4.890 1.00 0.00 N ATOM 0 H ASN A 52 -0.488 14.481 2.298 1.00 0.00 H new ATOM 0 HA ASN A 52 0.797 16.168 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.022 15.629 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.452 15.257 6.001 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.622 18.818 5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.117 17.228 4.421 1.00 0.00 H new ATOM 824 N ALA A 53 2.428 13.657 3.544 1.00 0.00 N ATOM 825 CA ALA A 53 3.763 13.045 3.800 1.00 0.00 C ATOM 826 C ALA A 53 4.864 14.045 3.435 1.00 0.00 C ATOM 827 O ALA A 53 4.715 14.843 2.529 1.00 0.00 O ATOM 828 CB ALA A 53 3.918 11.785 2.947 1.00 0.00 C ATOM 0 H ALA A 53 1.842 13.156 2.876 1.00 0.00 H new ATOM 0 HA ALA A 53 3.845 12.784 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.894 11.337 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.136 11.072 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.835 12.047 1.892 1.00 0.00 H new ATOM 834 N ALA A 54 5.968 14.007 4.129 1.00 0.00 N ATOM 835 CA ALA A 54 7.077 14.953 3.819 1.00 0.00 C ATOM 836 C ALA A 54 7.999 14.333 2.765 1.00 0.00 C ATOM 837 O ALA A 54 9.031 14.880 2.432 1.00 0.00 O ATOM 838 CB ALA A 54 7.877 15.234 5.092 1.00 0.00 C ATOM 0 H ALA A 54 6.150 13.362 4.898 1.00 0.00 H new ATOM 0 HA ALA A 54 6.662 15.885 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.689 15.926 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.222 15.675 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.291 14.301 5.475 1.00 0.00 H new ATOM 844 N SER A 55 7.635 13.195 2.238 1.00 0.00 N ATOM 845 CA SER A 55 8.491 12.541 1.207 1.00 0.00 C ATOM 846 C SER A 55 8.023 11.101 0.996 1.00 0.00 C ATOM 847 O SER A 55 7.093 10.642 1.630 1.00 0.00 O ATOM 848 CB SER A 55 9.946 12.536 1.678 1.00 0.00 C ATOM 849 OG SER A 55 9.993 12.155 3.047 1.00 0.00 O ATOM 0 H SER A 55 6.782 12.690 2.477 1.00 0.00 H new ATOM 0 HA SER A 55 8.414 13.092 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.534 11.844 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.386 13.525 1.548 1.00 0.00 H new ATOM 0 HG SER A 55 10.924 12.149 3.353 1.00 0.00 H new ATOM 855 N ILE A 56 8.660 10.383 0.113 1.00 0.00 N ATOM 856 CA ILE A 56 8.251 8.974 -0.131 1.00 0.00 C ATOM 857 C ILE A 56 8.594 8.131 1.097 1.00 0.00 C ATOM 858 O ILE A 56 7.782 7.373 1.589 1.00 0.00 O ATOM 859 CB ILE A 56 8.996 8.426 -1.349 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.960 9.460 -2.478 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.327 7.134 -1.820 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.513 9.887 -2.733 1.00 0.00 C ATOM 0 H ILE A 56 9.445 10.712 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 56 7.178 8.933 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 56 10.031 8.220 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.564 10.327 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.391 9.038 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.859 6.744 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.354 6.397 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.291 7.338 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.487 10.623 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.922 9.017 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.098 10.326 -1.826 1.00 0.00 H new ATOM 874 N GLU A 57 9.790 8.261 1.602 1.00 0.00 N ATOM 875 CA GLU A 57 10.178 7.471 2.803 1.00 0.00 C ATOM 876 C GLU A 57 9.040 7.527 3.825 1.00 0.00 C ATOM 877 O GLU A 57 8.863 6.627 4.622 1.00 0.00 O ATOM 878 CB GLU A 57 11.449 8.060 3.416 1.00 0.00 C ATOM 879 CG GLU A 57 12.645 7.728 2.521 1.00 0.00 C ATOM 880 CD GLU A 57 13.794 7.193 3.378 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.143 7.850 4.345 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.305 6.133 3.054 1.00 0.00 O ATOM 0 H GLU A 57 10.514 8.879 1.235 1.00 0.00 H new ATOM 0 HA GLU A 57 10.366 6.436 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.348 9.140 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.605 7.655 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.359 6.987 1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.965 8.618 1.980 1.00 0.00 H new ATOM 889 N ALA A 58 8.263 8.576 3.798 1.00 0.00 N ATOM 890 CA ALA A 58 7.130 8.688 4.758 1.00 0.00 C ATOM 891 C ALA A 58 5.891 8.036 4.145 1.00 0.00 C ATOM 892 O ALA A 58 5.117 7.392 4.825 1.00 0.00 O ATOM 893 CB ALA A 58 6.844 10.165 5.045 1.00 0.00 C ATOM 0 H ALA A 58 8.365 9.359 3.153 1.00 0.00 H new ATOM 0 HA ALA A 58 7.387 8.185 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.015 10.245 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.731 10.630 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.583 10.672 4.116 1.00 0.00 H new ATOM 899 N ALA A 59 5.700 8.190 2.863 1.00 0.00 N ATOM 900 CA ALA A 59 4.515 7.568 2.210 1.00 0.00 C ATOM 901 C ALA A 59 4.742 6.058 2.110 1.00 0.00 C ATOM 902 O ALA A 59 4.087 5.275 2.774 1.00 0.00 O ATOM 903 CB ALA A 59 4.332 8.156 0.809 1.00 0.00 C ATOM 0 H ALA A 59 6.312 8.719 2.241 1.00 0.00 H new ATOM 0 HA ALA A 59 3.620 7.769 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.464 7.699 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.180 9.233 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.221 7.955 0.211 1.00 0.00 H new ATOM 909 N MET A 60 5.671 5.641 1.296 1.00 0.00 N ATOM 910 CA MET A 60 5.944 4.184 1.170 1.00 0.00 C ATOM 911 C MET A 60 5.997 3.569 2.570 1.00 0.00 C ATOM 912 O MET A 60 5.724 2.401 2.755 1.00 0.00 O ATOM 913 CB MET A 60 7.283 3.968 0.462 1.00 0.00 C ATOM 914 CG MET A 60 7.095 2.985 -0.695 1.00 0.00 C ATOM 915 SD MET A 60 8.320 1.660 -0.566 1.00 0.00 S ATOM 916 CE MET A 60 9.745 2.613 -1.145 1.00 0.00 C ATOM 0 H MET A 60 6.251 6.245 0.714 1.00 0.00 H new ATOM 0 HA MET A 60 5.155 3.710 0.587 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.666 4.917 0.088 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.020 3.582 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.088 2.568 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.203 3.503 -1.648 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.166 2.137 -2.031 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.429 3.626 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.500 2.651 -0.360 1.00 0.00 H new ATOM 926 N ARG A 61 6.338 4.353 3.559 1.00 0.00 N ATOM 927 CA ARG A 61 6.399 3.817 4.948 1.00 0.00 C ATOM 928 C ARG A 61 5.037 3.226 5.308 1.00 0.00 C ATOM 929 O ARG A 61 4.926 2.079 5.692 1.00 0.00 O ATOM 930 CB ARG A 61 6.740 4.949 5.920 1.00 0.00 C ATOM 931 CG ARG A 61 7.865 4.501 6.855 1.00 0.00 C ATOM 932 CD ARG A 61 7.816 5.323 8.144 1.00 0.00 C ATOM 933 NE ARG A 61 8.633 4.651 9.193 1.00 0.00 N ATOM 934 CZ ARG A 61 8.975 5.301 10.275 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.576 6.530 10.456 1.00 0.00 N ATOM 936 NH2 ARG A 61 9.715 4.718 11.179 1.00 0.00 N ATOM 0 H ARG A 61 6.576 5.340 3.464 1.00 0.00 H new ATOM 0 HA ARG A 61 7.167 3.046 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.045 5.837 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.858 5.222 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.761 3.440 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.831 4.629 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.195 6.328 7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.785 5.428 8.482 1.00 0.00 H new ATOM 0 HE ARG A 61 8.926 3.682 9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.996 6.987 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.845 7.034 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.026 3.756 11.041 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.982 5.224 12.023 1.00 0.00 H new ATOM 950 N MET A 62 4.001 4.000 5.171 1.00 0.00 N ATOM 951 CA MET A 62 2.639 3.487 5.487 1.00 0.00 C ATOM 952 C MET A 62 2.311 2.359 4.508 1.00 0.00 C ATOM 953 O MET A 62 1.449 1.537 4.749 1.00 0.00 O ATOM 954 CB MET A 62 1.612 4.614 5.334 1.00 0.00 C ATOM 955 CG MET A 62 2.236 5.940 5.775 1.00 0.00 C ATOM 956 SD MET A 62 0.928 7.153 6.080 1.00 0.00 S ATOM 957 CE MET A 62 1.938 8.636 5.837 1.00 0.00 C ATOM 0 H MET A 62 4.037 4.969 4.853 1.00 0.00 H new ATOM 0 HA MET A 62 2.607 3.118 6.512 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.284 4.682 4.297 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.728 4.399 5.935 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.827 5.793 6.679 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.915 6.308 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.322 9.523 5.980 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.755 8.642 6.558 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.346 8.637 4.826 1.00 0.00 H new ATOM 967 N ILE A 63 3.002 2.320 3.402 1.00 0.00 N ATOM 968 CA ILE A 63 2.750 1.254 2.392 1.00 0.00 C ATOM 969 C ILE A 63 3.448 -0.039 2.828 1.00 0.00 C ATOM 970 O ILE A 63 3.058 -1.124 2.446 1.00 0.00 O ATOM 971 CB ILE A 63 3.309 1.705 1.043 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.510 2.907 0.534 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.202 0.562 0.035 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.014 2.606 0.625 1.00 0.00 C ATOM 0 H ILE A 63 3.735 2.985 3.153 1.00 0.00 H new ATOM 0 HA ILE A 63 1.679 1.073 2.306 1.00 0.00 H new ATOM 0 HB ILE A 63 4.355 1.987 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.749 3.792 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.784 3.128 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.601 0.886 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.772 -0.295 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.156 0.278 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.448 3.464 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.781 1.733 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.745 2.407 1.662 1.00 0.00 H new ATOM 986 N GLU A 64 4.477 0.068 3.623 1.00 0.00 N ATOM 987 CA GLU A 64 5.198 -1.154 4.079 1.00 0.00 C ATOM 988 C GLU A 64 4.487 -1.746 5.298 1.00 0.00 C ATOM 989 O GLU A 64 4.117 -2.903 5.310 1.00 0.00 O ATOM 990 CB GLU A 64 6.634 -0.786 4.460 1.00 0.00 C ATOM 991 CG GLU A 64 7.154 0.299 3.515 1.00 0.00 C ATOM 992 CD GLU A 64 8.610 0.004 3.148 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.179 -0.896 3.744 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.130 0.684 2.279 1.00 0.00 O ATOM 0 H GLU A 64 4.850 0.949 3.977 1.00 0.00 H new ATOM 0 HA GLU A 64 5.209 -1.888 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.668 -0.432 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.273 -1.667 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.541 0.335 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.079 1.277 3.991 1.00 0.00 H new ATOM 1001 N GLY A 65 4.292 -0.962 6.324 1.00 0.00 N ATOM 1002 CA GLY A 65 3.607 -1.486 7.541 1.00 0.00 C ATOM 1003 C GLY A 65 2.154 -1.824 7.205 1.00 0.00 C ATOM 1004 O GLY A 65 1.538 -2.658 7.839 1.00 0.00 O ATOM 0 H GLY A 65 4.577 0.016 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.122 -2.374 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.643 -0.745 8.339 1.00 0.00 H new ATOM 1008 N THR A 66 1.601 -1.184 6.212 1.00 0.00 N ATOM 1009 CA THR A 66 0.188 -1.471 5.837 1.00 0.00 C ATOM 1010 C THR A 66 0.155 -2.617 4.825 1.00 0.00 C ATOM 1011 O THR A 66 -0.705 -3.474 4.869 1.00 0.00 O ATOM 1012 CB THR A 66 -0.441 -0.221 5.214 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.316 0.869 6.118 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.920 -0.480 4.926 1.00 0.00 C ATOM 0 H THR A 66 2.066 -0.475 5.645 1.00 0.00 H new ATOM 0 HA THR A 66 -0.374 -1.754 6.727 1.00 0.00 H new ATOM 0 HB THR A 66 0.071 0.018 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.369 1.488 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.366 0.410 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.015 -1.316 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.435 -0.719 5.856 1.00 0.00 H new ATOM 1022 N ALA A 67 1.089 -2.642 3.912 1.00 0.00 N ATOM 1023 CA ALA A 67 1.113 -3.735 2.901 1.00 0.00 C ATOM 1024 C ALA A 67 1.864 -4.940 3.472 1.00 0.00 C ATOM 1025 O ALA A 67 2.189 -5.873 2.764 1.00 0.00 O ATOM 1026 CB ALA A 67 1.819 -3.246 1.633 1.00 0.00 C ATOM 0 H ALA A 67 1.835 -1.952 3.824 1.00 0.00 H new ATOM 0 HA ALA A 67 0.091 -4.025 2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.836 -4.047 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.283 -2.388 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.841 -2.954 1.875 1.00 0.00 H new ATOM 1032 N ARG A 68 2.145 -4.930 4.748 1.00 0.00 N ATOM 1033 CA ARG A 68 2.877 -6.077 5.355 1.00 0.00 C ATOM 1034 C ARG A 68 2.082 -6.637 6.539 1.00 0.00 C ATOM 1035 O ARG A 68 2.246 -7.779 6.921 1.00 0.00 O ATOM 1036 CB ARG A 68 4.250 -5.610 5.845 1.00 0.00 C ATOM 1037 CG ARG A 68 5.076 -6.824 6.274 1.00 0.00 C ATOM 1038 CD ARG A 68 4.858 -7.093 7.765 1.00 0.00 C ATOM 1039 NE ARG A 68 6.146 -6.922 8.492 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.428 -5.780 9.058 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.712 -4.739 8.323 1.00 0.00 N ATOM 1042 NH2 ARG A 68 6.426 -5.678 10.360 1.00 0.00 N ATOM 0 H ARG A 68 1.900 -4.179 5.393 1.00 0.00 H new ATOM 0 HA ARG A 68 3.001 -6.856 4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.766 -5.067 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.135 -4.921 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.787 -7.698 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.133 -6.645 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.109 -6.409 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.476 -8.103 7.912 1.00 0.00 H new ATOM 0 HE ARG A 68 6.807 -7.696 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.714 -4.818 7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.932 -3.847 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.204 -6.491 10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.646 -4.786 10.802 1.00 0.00 H new ATOM 1056 N SER A 69 1.228 -5.846 7.128 1.00 0.00 N ATOM 1057 CA SER A 69 0.436 -6.340 8.289 1.00 0.00 C ATOM 1058 C SER A 69 -0.828 -7.047 7.795 1.00 0.00 C ATOM 1059 O SER A 69 -1.507 -7.719 8.546 1.00 0.00 O ATOM 1060 CB SER A 69 0.043 -5.159 9.178 1.00 0.00 C ATOM 1061 OG SER A 69 -0.939 -4.377 8.512 1.00 0.00 O ATOM 0 H SER A 69 1.045 -4.880 6.856 1.00 0.00 H new ATOM 0 HA SER A 69 1.041 -7.044 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.347 -5.519 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.919 -4.550 9.402 1.00 0.00 H new ATOM 0 HG SER A 69 -0.506 -3.619 8.066 1.00 0.00 H new ATOM 1067 N MET A 70 -1.153 -6.903 6.540 1.00 0.00 N ATOM 1068 CA MET A 70 -2.376 -7.571 6.009 1.00 0.00 C ATOM 1069 C MET A 70 -2.022 -8.979 5.525 1.00 0.00 C ATOM 1070 O MET A 70 -2.862 -9.853 5.461 1.00 0.00 O ATOM 1071 CB MET A 70 -2.940 -6.756 4.845 1.00 0.00 C ATOM 1072 CG MET A 70 -3.699 -5.546 5.392 1.00 0.00 C ATOM 1073 SD MET A 70 -4.450 -4.632 4.022 1.00 0.00 S ATOM 1074 CE MET A 70 -2.983 -3.684 3.549 1.00 0.00 C ATOM 0 H MET A 70 -0.627 -6.354 5.860 1.00 0.00 H new ATOM 0 HA MET A 70 -3.124 -7.638 6.799 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.132 -6.427 4.192 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.605 -7.374 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.469 -5.872 6.091 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.020 -4.898 5.946 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.198 -3.106 2.650 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.710 -3.008 4.359 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.156 -4.367 3.352 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.782 -9.205 5.184 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.376 -10.557 4.706 1.00 0.00 C ATOM 1086 C GLY A 71 0.439 -10.423 3.419 1.00 0.00 C ATOM 1087 O GLY A 71 0.996 -11.383 2.924 1.00 0.00 O ATOM 0 H GLY A 71 -0.034 -8.513 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.214 -11.062 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.259 -11.171 4.527 1.00 0.00 H new ATOM 1091 N ILE A 72 0.512 -9.241 2.870 1.00 0.00 N ATOM 1092 CA ILE A 72 1.291 -9.049 1.615 1.00 0.00 C ATOM 1093 C ILE A 72 2.743 -8.722 1.961 1.00 0.00 C ATOM 1094 O ILE A 72 3.033 -8.173 3.004 1.00 0.00 O ATOM 1095 CB ILE A 72 0.691 -7.891 0.815 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.830 -8.040 0.763 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.254 -7.903 -0.608 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.486 -6.766 1.298 1.00 0.00 C ATOM 0 H ILE A 72 0.066 -8.400 3.237 1.00 0.00 H new ATOM 0 HA ILE A 72 1.253 -9.963 1.022 1.00 0.00 H new ATOM 0 HB ILE A 72 0.948 -6.948 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.153 -8.225 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.142 -8.899 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.825 -7.077 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.338 -7.794 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.000 -8.846 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.570 -6.872 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.172 -6.601 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.183 -5.916 0.686 1.00 0.00 H new ATOM 1110 N VAL A 73 3.658 -9.043 1.090 1.00 0.00 N ATOM 1111 CA VAL A 73 5.088 -8.736 1.369 1.00 0.00 C ATOM 1112 C VAL A 73 5.586 -7.730 0.325 1.00 0.00 C ATOM 1113 O VAL A 73 4.862 -7.349 -0.573 1.00 0.00 O ATOM 1114 CB VAL A 73 5.911 -10.042 1.329 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.620 -10.211 -0.020 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.956 -10.010 2.447 1.00 0.00 C ATOM 0 H VAL A 73 3.478 -9.504 0.198 1.00 0.00 H new ATOM 0 HA VAL A 73 5.202 -8.297 2.360 1.00 0.00 H new ATOM 0 HB VAL A 73 5.231 -10.883 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.191 -11.139 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.879 -10.243 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.295 -9.371 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.541 -10.929 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.617 -9.156 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.455 -9.922 3.411 1.00 0.00 H new ATOM 1126 N VAL A 74 6.809 -7.292 0.429 1.00 0.00 N ATOM 1127 CA VAL A 74 7.323 -6.312 -0.565 1.00 0.00 C ATOM 1128 C VAL A 74 8.767 -6.673 -0.938 1.00 0.00 C ATOM 1129 O VAL A 74 9.543 -7.103 -0.109 1.00 0.00 O ATOM 1130 CB VAL A 74 7.237 -4.895 0.036 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.605 -4.427 0.550 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.735 -3.921 -1.032 1.00 0.00 C ATOM 0 H VAL A 74 7.471 -7.568 1.154 1.00 0.00 H new ATOM 0 HA VAL A 74 6.721 -6.340 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 74 6.545 -4.920 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.513 -3.425 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.957 -5.111 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.318 -4.412 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.673 -2.918 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.426 -3.918 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.748 -4.232 -1.373 1.00 0.00 H new ATOM 1142 N GLU A 75 9.129 -6.498 -2.178 1.00 0.00 N ATOM 1143 CA GLU A 75 10.519 -6.827 -2.600 1.00 0.00 C ATOM 1144 C GLU A 75 11.446 -5.661 -2.253 1.00 0.00 C ATOM 1145 O GLU A 75 11.063 -4.735 -1.567 1.00 0.00 O ATOM 1146 CB GLU A 75 10.547 -7.073 -4.109 1.00 0.00 C ATOM 1147 CG GLU A 75 9.702 -8.305 -4.441 1.00 0.00 C ATOM 1148 CD GLU A 75 10.409 -9.563 -3.934 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.371 -9.798 -2.738 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.976 -10.270 -4.751 1.00 0.00 O ATOM 0 H GLU A 75 8.523 -6.142 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 75 10.856 -7.724 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.161 -6.201 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.573 -7.221 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.718 -8.218 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.546 -8.372 -5.518 1.00 0.00 H new ATOM 1157 N ASP A 76 12.662 -5.700 -2.721 1.00 0.00 N ATOM 1158 CA ASP A 76 13.614 -4.594 -2.420 1.00 0.00 C ATOM 1159 C ASP A 76 14.618 -4.460 -3.568 1.00 0.00 C ATOM 1160 O ASP A 76 15.610 -3.774 -3.385 1.00 0.00 O ATOM 1161 CB ASP A 76 14.362 -4.903 -1.121 1.00 0.00 C ATOM 1162 CG ASP A 76 15.010 -6.284 -1.222 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.973 -6.414 -1.960 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.534 -7.190 -0.557 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.378 -5.048 -4.610 1.00 0.00 O ATOM 0 H ASP A 76 13.039 -6.451 -3.300 1.00 0.00 H new ATOM 0 HA ASP A 76 13.063 -3.660 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.123 -4.145 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.673 -4.873 -0.277 1.00 0.00 H new