USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 570 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0.498 (180deg=-0.402) USER MOD Single : A 13 SER OG : rot -100:sc= -0.896 USER MOD Single : A 16 SER OG : rot 133:sc= 1.02 USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0836) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.021 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.15 USER MOD Single : A 32 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.13) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.000949 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.66 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 54 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.56) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 70 SER OG : rot 180:sc= -0.195 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N LEU A 8 66.912 -1.739 13.699 1.00 0.00 N ATOM 138 CA LEU A 8 68.127 -0.963 13.282 1.00 0.00 C ATOM 139 C LEU A 8 69.191 -1.898 12.695 1.00 0.00 C ATOM 140 O LEU A 8 69.369 -3.012 13.151 1.00 0.00 O ATOM 141 CB LEU A 8 68.654 -0.314 14.568 1.00 0.00 C ATOM 142 CG LEU A 8 67.628 0.690 15.101 1.00 0.00 C ATOM 143 CD1 LEU A 8 68.031 1.133 16.509 1.00 0.00 C ATOM 144 CD2 LEU A 8 67.581 1.912 14.179 1.00 0.00 C ATOM 0 HA LEU A 8 67.888 -0.227 12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.851 -1.080 15.318 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.600 0.189 14.371 1.00 0.00 H new ATOM 0 HG LEU A 8 66.645 0.220 15.134 1.00 0.00 H new ATOM 0 HD11 LEU A 8 67.301 1.848 16.889 1.00 0.00 H new ATOM 0 HD12 LEU A 8 68.066 0.265 17.168 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.014 1.602 16.475 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.851 2.626 14.559 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.564 2.381 14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.295 1.599 13.175 1.00 0.00 H new ATOM 156 N GLY A 9 69.897 -1.446 11.686 1.00 0.00 N ATOM 157 CA GLY A 9 70.992 -2.274 11.090 1.00 0.00 C ATOM 158 C GLY A 9 70.445 -3.313 10.097 1.00 0.00 C ATOM 159 O GLY A 9 71.207 -4.047 9.494 1.00 0.00 O ATOM 0 H GLY A 9 69.761 -0.535 11.248 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.704 -1.624 10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.537 -2.783 11.885 1.00 0.00 H new ATOM 163 N SER A 10 69.142 -3.388 9.916 1.00 0.00 N ATOM 164 CA SER A 10 68.567 -4.380 8.945 1.00 0.00 C ATOM 165 C SER A 10 69.053 -4.078 7.523 1.00 0.00 C ATOM 166 O SER A 10 69.154 -2.932 7.128 1.00 0.00 O ATOM 167 CB SER A 10 67.050 -4.202 9.034 1.00 0.00 C ATOM 168 OG SER A 10 66.614 -4.545 10.342 1.00 0.00 O ATOM 0 H SER A 10 68.455 -2.807 10.397 1.00 0.00 H new ATOM 0 HA SER A 10 68.873 -5.400 9.179 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.779 -3.171 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.554 -4.832 8.296 1.00 0.00 H new ATOM 0 HG SER A 10 65.643 -4.431 10.404 1.00 0.00 H new ATOM 174 N LYS A 11 69.355 -5.100 6.757 1.00 0.00 N ATOM 175 CA LYS A 11 69.804 -4.879 5.346 1.00 0.00 C ATOM 176 C LYS A 11 68.593 -4.670 4.423 1.00 0.00 C ATOM 177 O LYS A 11 67.707 -5.505 4.343 1.00 0.00 O ATOM 178 CB LYS A 11 70.604 -6.139 4.961 1.00 0.00 C ATOM 179 CG LYS A 11 69.702 -7.382 4.931 1.00 0.00 C ATOM 180 CD LYS A 11 70.573 -8.637 4.832 1.00 0.00 C ATOM 181 CE LYS A 11 69.697 -9.849 4.503 1.00 0.00 C ATOM 182 NZ LYS A 11 68.869 -10.072 5.722 1.00 0.00 N ATOM 0 H LYS A 11 69.310 -6.077 7.048 1.00 0.00 H new ATOM 0 HA LYS A 11 70.418 -3.984 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.064 -5.996 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.414 -6.291 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.088 -7.422 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.020 -7.330 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.332 -8.505 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.099 -8.801 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 11 69.071 -9.658 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.305 -10.724 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 68.926 -11.072 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 69.223 -9.475 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 67.879 -9.825 5.519 1.00 0.00 H new ATOM 196 N ILE A 12 68.552 -3.558 3.727 1.00 0.00 N ATOM 197 CA ILE A 12 67.391 -3.267 2.829 1.00 0.00 C ATOM 198 C ILE A 12 67.872 -3.078 1.385 1.00 0.00 C ATOM 199 O ILE A 12 68.949 -2.562 1.140 1.00 0.00 O ATOM 200 CB ILE A 12 66.763 -1.973 3.374 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.288 -2.201 4.816 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.560 -1.573 2.507 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.851 -0.871 5.434 1.00 0.00 C ATOM 0 H ILE A 12 69.275 -2.839 3.743 1.00 0.00 H new ATOM 0 HA ILE A 12 66.669 -4.083 2.815 1.00 0.00 H new ATOM 0 HB ILE A 12 67.509 -1.178 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.459 -2.908 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.091 -2.641 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.119 -0.656 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.889 -1.409 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.817 -2.370 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.515 -1.038 6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.692 -0.178 5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.035 -0.449 4.848 1.00 0.00 H new ATOM 215 N SER A 13 67.070 -3.502 0.438 1.00 0.00 N ATOM 216 CA SER A 13 67.390 -3.275 -1.001 1.00 0.00 C ATOM 217 C SER A 13 66.529 -2.130 -1.540 1.00 0.00 C ATOM 218 O SER A 13 65.349 -2.047 -1.256 1.00 0.00 O ATOM 219 CB SER A 13 67.039 -4.588 -1.700 1.00 0.00 C ATOM 220 OG SER A 13 67.409 -4.505 -3.069 1.00 0.00 O ATOM 0 H SER A 13 66.197 -4.002 0.606 1.00 0.00 H new ATOM 0 HA SER A 13 68.433 -3.002 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.558 -5.418 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.971 -4.786 -1.612 1.00 0.00 H new ATOM 0 HG SER A 13 66.616 -4.309 -3.611 1.00 0.00 H new ATOM 226 N LEU A 14 67.114 -1.252 -2.312 1.00 0.00 N ATOM 227 CA LEU A 14 66.415 0.010 -2.697 1.00 0.00 C ATOM 228 C LEU A 14 66.530 0.241 -4.210 1.00 0.00 C ATOM 229 O LEU A 14 67.614 0.244 -4.757 1.00 0.00 O ATOM 230 CB LEU A 14 67.163 1.098 -1.924 1.00 0.00 C ATOM 231 CG LEU A 14 66.313 2.366 -1.849 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.118 2.130 -0.924 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.165 3.509 -1.293 1.00 0.00 C ATOM 0 H LEU A 14 68.054 -1.356 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 14 65.350 -0.007 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.396 0.747 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.112 1.315 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 14 65.953 2.623 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.514 3.036 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.513 1.311 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.475 1.875 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.564 4.417 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.520 3.247 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 68.019 3.679 -1.949 1.00 0.00 H new ATOM 245 N ILE A 15 65.420 0.431 -4.883 1.00 0.00 N ATOM 246 CA ILE A 15 65.458 0.640 -6.366 1.00 0.00 C ATOM 247 C ILE A 15 65.164 2.113 -6.687 1.00 0.00 C ATOM 248 O ILE A 15 64.098 2.623 -6.367 1.00 0.00 O ATOM 249 CB ILE A 15 64.358 -0.272 -6.937 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.647 -1.733 -6.564 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.321 -0.147 -8.466 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.420 -2.595 -6.872 1.00 0.00 C ATOM 0 H ILE A 15 64.488 0.450 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 15 66.432 0.403 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 15 63.398 0.031 -6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.509 -2.098 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.898 -1.806 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.541 -0.795 -8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.111 0.886 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.285 -0.444 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.628 -3.632 -6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.569 -2.236 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.189 -2.532 -7.935 1.00 0.00 H new ATOM 264 N SER A 16 66.103 2.788 -7.311 1.00 0.00 N ATOM 265 CA SER A 16 65.923 4.241 -7.625 1.00 0.00 C ATOM 266 C SER A 16 65.349 4.437 -9.036 1.00 0.00 C ATOM 267 O SER A 16 65.483 3.581 -9.895 1.00 0.00 O ATOM 268 CB SER A 16 67.332 4.831 -7.549 1.00 0.00 C ATOM 269 OG SER A 16 67.883 4.566 -6.265 1.00 0.00 O ATOM 0 H SER A 16 66.991 2.391 -7.617 1.00 0.00 H new ATOM 0 HA SER A 16 65.226 4.718 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 16 67.963 4.397 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.299 5.906 -7.729 1.00 0.00 H new ATOM 0 HG SER A 16 68.794 4.220 -6.365 1.00 0.00 H new ATOM 275 N LYS A 17 64.730 5.579 -9.272 1.00 0.00 N ATOM 276 CA LYS A 17 63.982 5.828 -10.558 1.00 0.00 C ATOM 277 C LYS A 17 64.848 5.574 -11.805 1.00 0.00 C ATOM 278 O LYS A 17 64.333 5.467 -12.902 1.00 0.00 O ATOM 279 CB LYS A 17 63.583 7.307 -10.498 1.00 0.00 C ATOM 280 CG LYS A 17 62.558 7.611 -11.594 1.00 0.00 C ATOM 281 CD LYS A 17 61.204 7.011 -11.209 1.00 0.00 C ATOM 282 CE LYS A 17 60.145 7.450 -12.222 1.00 0.00 C ATOM 283 NZ LYS A 17 60.346 6.561 -13.399 1.00 0.00 N ATOM 0 H LYS A 17 64.712 6.361 -8.617 1.00 0.00 H new ATOM 0 HA LYS A 17 63.132 5.152 -10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.163 7.541 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.464 7.936 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.465 8.688 -11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 17 62.894 7.197 -12.545 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.270 5.923 -11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 17 60.922 7.336 -10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 17 59.140 7.343 -11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.269 8.498 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.402 7.137 -14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 61.229 6.025 -13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 59.547 5.900 -13.475 1.00 0.00 H new ATOM 297 N ALA A 18 66.148 5.476 -11.652 1.00 0.00 N ATOM 298 CA ALA A 18 67.035 5.246 -12.833 1.00 0.00 C ATOM 299 C ALA A 18 67.222 3.743 -13.079 1.00 0.00 C ATOM 300 O ALA A 18 68.173 3.330 -13.715 1.00 0.00 O ATOM 301 CB ALA A 18 68.369 5.893 -12.454 1.00 0.00 C ATOM 0 H ALA A 18 66.632 5.546 -10.757 1.00 0.00 H new ATOM 0 HA ALA A 18 66.618 5.666 -13.748 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.079 5.768 -13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.217 6.956 -12.265 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.762 5.417 -11.556 1.00 0.00 H new ATOM 307 N ASP A 19 66.316 2.920 -12.577 1.00 0.00 N ATOM 308 CA ASP A 19 66.481 1.430 -12.662 1.00 0.00 C ATOM 309 C ASP A 19 67.835 1.022 -12.077 1.00 0.00 C ATOM 310 O ASP A 19 68.468 0.088 -12.535 1.00 0.00 O ATOM 311 CB ASP A 19 66.389 1.069 -14.152 1.00 0.00 C ATOM 312 CG ASP A 19 64.957 1.287 -14.647 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.353 2.270 -14.248 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.487 0.466 -15.418 1.00 0.00 O ATOM 0 H ASP A 19 65.463 3.226 -12.109 1.00 0.00 H new ATOM 0 HA ASP A 19 65.715 0.904 -12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.081 1.683 -14.728 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.682 0.030 -14.303 1.00 0.00 H new ATOM 319 N ILE A 20 68.273 1.730 -11.064 1.00 0.00 N ATOM 320 CA ILE A 20 69.570 1.387 -10.406 1.00 0.00 C ATOM 321 C ILE A 20 69.285 0.646 -9.101 1.00 0.00 C ATOM 322 O ILE A 20 68.354 0.975 -8.391 1.00 0.00 O ATOM 323 CB ILE A 20 70.268 2.726 -10.114 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.415 3.537 -11.408 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.659 2.455 -9.526 1.00 0.00 C ATOM 326 CD1 ILE A 20 70.978 4.928 -11.090 1.00 0.00 C ATOM 0 H ILE A 20 67.786 2.532 -10.665 1.00 0.00 H new ATOM 0 HA ILE A 20 70.193 0.749 -11.032 1.00 0.00 H new ATOM 0 HB ILE A 20 69.668 3.293 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.077 3.017 -12.101 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.447 3.631 -11.901 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.157 3.402 -9.318 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.559 1.887 -8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.251 1.883 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.080 5.499 -12.013 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.300 5.449 -10.414 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.955 4.826 -10.617 1.00 0.00 H new ATOM 338 N ARG A 21 70.077 -0.344 -8.782 1.00 0.00 N ATOM 339 CA ARG A 21 69.858 -1.090 -7.510 1.00 0.00 C ATOM 340 C ARG A 21 70.905 -0.674 -6.476 1.00 0.00 C ATOM 341 O ARG A 21 72.095 -0.832 -6.684 1.00 0.00 O ATOM 342 CB ARG A 21 70.018 -2.566 -7.881 1.00 0.00 C ATOM 343 CG ARG A 21 69.589 -3.440 -6.702 1.00 0.00 C ATOM 344 CD ARG A 21 69.828 -4.913 -7.045 1.00 0.00 C ATOM 345 NE ARG A 21 69.232 -5.680 -5.907 1.00 0.00 N ATOM 346 CZ ARG A 21 67.927 -5.843 -5.791 1.00 0.00 C ATOM 347 NH1 ARG A 21 67.088 -5.324 -6.658 1.00 0.00 N ATOM 348 NH2 ARG A 21 67.458 -6.533 -4.788 1.00 0.00 N ATOM 0 H ARG A 21 70.863 -0.667 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 21 68.880 -0.889 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.414 -2.799 -8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.055 -2.775 -8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.152 -3.167 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.535 -3.274 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.355 -5.179 -7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.892 -5.126 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 21 69.849 -6.087 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 21 67.440 -4.779 -7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 21 66.084 -5.466 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.098 -6.939 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 21 66.452 -6.666 -4.687 1.00 0.00 H new ATOM 362 N TYR A 22 70.460 -0.144 -5.367 1.00 0.00 N ATOM 363 CA TYR A 22 71.384 0.181 -4.244 1.00 0.00 C ATOM 364 C TYR A 22 71.055 -0.719 -3.053 1.00 0.00 C ATOM 365 O TYR A 22 69.919 -1.108 -2.867 1.00 0.00 O ATOM 366 CB TYR A 22 71.091 1.641 -3.889 1.00 0.00 C ATOM 367 CG TYR A 22 71.486 2.636 -4.959 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.784 3.200 -4.950 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.555 3.013 -5.961 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.155 4.140 -5.944 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.927 3.953 -6.956 1.00 0.00 C ATOM 372 CZ TYR A 22 72.227 4.516 -6.945 1.00 0.00 C ATOM 373 OH TYR A 22 72.589 5.432 -7.912 1.00 0.00 O ATOM 0 H TYR A 22 69.481 0.080 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 22 72.431 0.031 -4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.025 1.746 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.616 1.890 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.492 2.914 -4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.564 2.585 -5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.146 4.570 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.220 4.239 -7.721 1.00 0.00 H new ATOM 0 HH TYR A 22 71.836 5.578 -8.523 1.00 0.00 H new ATOM 383 N GLU A 23 72.030 -1.052 -2.251 1.00 0.00 N ATOM 384 CA GLU A 23 71.746 -1.850 -1.019 1.00 0.00 C ATOM 385 C GLU A 23 72.607 -1.336 0.130 1.00 0.00 C ATOM 386 O GLU A 23 73.761 -1.010 -0.062 1.00 0.00 O ATOM 387 CB GLU A 23 72.134 -3.285 -1.381 1.00 0.00 C ATOM 388 CG GLU A 23 71.699 -4.233 -0.260 1.00 0.00 C ATOM 389 CD GLU A 23 72.198 -5.648 -0.561 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.338 -5.779 -0.978 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.432 -6.577 -0.369 1.00 0.00 O ATOM 0 H GLU A 23 73.010 -0.807 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 23 70.705 -1.781 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.661 -3.574 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.211 -3.354 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.099 -3.891 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.613 -4.231 -0.170 1.00 0.00 H new ATOM 398 N GLY A 24 72.062 -1.267 1.319 1.00 0.00 N ATOM 399 CA GLY A 24 72.837 -0.683 2.456 1.00 0.00 C ATOM 400 C GLY A 24 72.132 -0.955 3.786 1.00 0.00 C ATOM 401 O GLY A 24 71.026 -1.464 3.822 1.00 0.00 O ATOM 0 H GLY A 24 71.122 -1.587 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.840 -1.109 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.950 0.391 2.312 1.00 0.00 H new ATOM 405 N ARG A 25 72.778 -0.617 4.879 1.00 0.00 N ATOM 406 CA ARG A 25 72.158 -0.830 6.226 1.00 0.00 C ATOM 407 C ARG A 25 71.255 0.352 6.593 1.00 0.00 C ATOM 408 O ARG A 25 71.626 1.499 6.424 1.00 0.00 O ATOM 409 CB ARG A 25 73.338 -0.915 7.199 1.00 0.00 C ATOM 410 CG ARG A 25 74.157 -2.175 6.907 1.00 0.00 C ATOM 411 CD ARG A 25 73.370 -3.414 7.347 1.00 0.00 C ATOM 412 NE ARG A 25 74.303 -4.570 7.147 1.00 0.00 N ATOM 413 CZ ARG A 25 74.090 -5.734 7.728 1.00 0.00 C ATOM 414 NH1 ARG A 25 73.048 -5.939 8.503 1.00 0.00 N ATOM 415 NH2 ARG A 25 74.934 -6.710 7.528 1.00 0.00 N ATOM 0 H ARG A 25 73.710 -0.202 4.895 1.00 0.00 H new ATOM 0 HA ARG A 25 71.537 -1.726 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.967 -0.030 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.974 -0.936 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 25 74.384 -2.235 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 25 75.110 -2.131 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 25 73.062 -3.334 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 25 72.463 -3.534 6.755 1.00 0.00 H new ATOM 0 HE ARG A 25 75.121 -4.453 6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 25 72.379 -5.187 8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 25 72.909 -6.850 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 25 75.746 -6.567 6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 25 74.781 -7.616 7.972 1.00 0.00 H new ATOM 429 N LEU A 26 70.073 0.078 7.093 1.00 0.00 N ATOM 430 CA LEU A 26 69.171 1.183 7.555 1.00 0.00 C ATOM 431 C LEU A 26 69.769 1.899 8.771 1.00 0.00 C ATOM 432 O LEU A 26 70.001 1.294 9.801 1.00 0.00 O ATOM 433 CB LEU A 26 67.876 0.478 7.971 1.00 0.00 C ATOM 434 CG LEU A 26 66.787 1.519 8.245 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.222 2.037 6.919 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.663 0.874 9.061 1.00 0.00 C ATOM 0 H LEU A 26 69.694 -0.863 7.201 1.00 0.00 H new ATOM 0 HA LEU A 26 69.021 1.932 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.552 -0.203 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.049 -0.125 8.862 1.00 0.00 H new ATOM 0 HG LEU A 26 67.214 2.352 8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.447 2.778 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 26 67.022 2.496 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.794 1.207 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.886 1.613 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.238 0.041 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.064 0.508 10.006 1.00 0.00 H new ATOM 448 N TYR A 27 70.022 3.180 8.654 1.00 0.00 N ATOM 449 CA TYR A 27 70.565 3.950 9.813 1.00 0.00 C ATOM 450 C TYR A 27 69.441 4.719 10.515 1.00 0.00 C ATOM 451 O TYR A 27 69.293 4.645 11.722 1.00 0.00 O ATOM 452 CB TYR A 27 71.582 4.917 9.209 1.00 0.00 C ATOM 453 CG TYR A 27 72.378 5.677 10.245 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.038 4.978 11.286 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.462 7.088 10.177 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.781 5.691 12.258 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.205 7.802 11.150 1.00 0.00 C ATOM 458 CZ TYR A 27 73.865 7.103 12.190 1.00 0.00 C ATOM 459 OH TYR A 27 74.590 7.798 13.137 1.00 0.00 O ATOM 0 H TYR A 27 69.875 3.725 7.804 1.00 0.00 H new ATOM 0 HA TYR A 27 71.018 3.300 10.562 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.268 4.359 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.060 5.628 8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 27 72.974 3.901 11.338 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.960 7.621 9.383 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.284 5.158 13.051 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.268 8.879 11.098 1.00 0.00 H new ATOM 0 HH TYR A 27 74.546 8.758 12.943 1.00 0.00 H new ATOM 469 N THR A 28 68.650 5.452 9.767 1.00 0.00 N ATOM 470 CA THR A 28 67.547 6.254 10.386 1.00 0.00 C ATOM 471 C THR A 28 66.419 6.475 9.372 1.00 0.00 C ATOM 472 O THR A 28 66.641 6.461 8.176 1.00 0.00 O ATOM 473 CB THR A 28 68.183 7.591 10.775 1.00 0.00 C ATOM 474 OG1 THR A 28 68.970 8.074 9.694 1.00 0.00 O ATOM 475 CG2 THR A 28 69.068 7.404 12.009 1.00 0.00 C ATOM 0 H THR A 28 68.721 5.529 8.752 1.00 0.00 H new ATOM 0 HA THR A 28 67.110 5.748 11.247 1.00 0.00 H new ATOM 0 HB THR A 28 67.397 8.311 11.003 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.904 7.810 9.826 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.518 8.358 12.282 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.463 7.038 12.839 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.854 6.682 11.787 1.00 0.00 H new ATOM 483 N VAL A 29 65.213 6.679 9.847 1.00 0.00 N ATOM 484 CA VAL A 29 64.054 6.880 8.923 1.00 0.00 C ATOM 485 C VAL A 29 63.098 7.939 9.497 1.00 0.00 C ATOM 486 O VAL A 29 62.922 8.039 10.697 1.00 0.00 O ATOM 487 CB VAL A 29 63.382 5.498 8.816 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.852 5.053 10.186 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.221 5.561 7.815 1.00 0.00 C ATOM 0 H VAL A 29 64.982 6.715 10.840 1.00 0.00 H new ATOM 0 HA VAL A 29 64.356 7.245 7.941 1.00 0.00 H new ATOM 0 HB VAL A 29 64.123 4.777 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.380 4.075 10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.679 4.991 10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.120 5.776 10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.749 4.581 7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.488 6.293 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.600 5.854 6.836 1.00 0.00 H new ATOM 499 N ASP A 30 62.482 8.724 8.644 1.00 0.00 N ATOM 500 CA ASP A 30 61.491 9.735 9.118 1.00 0.00 C ATOM 501 C ASP A 30 60.186 9.591 8.315 1.00 0.00 C ATOM 502 O ASP A 30 60.095 10.100 7.213 1.00 0.00 O ATOM 503 CB ASP A 30 62.148 11.092 8.847 1.00 0.00 C ATOM 504 CG ASP A 30 61.657 12.114 9.874 1.00 0.00 C ATOM 505 OD1 ASP A 30 62.288 12.233 10.911 1.00 0.00 O ATOM 506 OD2 ASP A 30 60.657 12.759 9.606 1.00 0.00 O ATOM 0 H ASP A 30 62.626 8.705 7.634 1.00 0.00 H new ATOM 0 HA ASP A 30 61.237 9.616 10.171 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.233 10.999 8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 30 61.907 11.429 7.839 1.00 0.00 H new ATOM 511 N PRO A 31 59.212 8.898 8.885 1.00 0.00 N ATOM 512 CA PRO A 31 57.946 8.614 8.148 1.00 0.00 C ATOM 513 C PRO A 31 57.246 9.915 7.734 1.00 0.00 C ATOM 514 O PRO A 31 56.728 10.027 6.639 1.00 0.00 O ATOM 515 CB PRO A 31 57.093 7.832 9.152 1.00 0.00 C ATOM 516 CG PRO A 31 58.045 7.348 10.197 1.00 0.00 C ATOM 517 CD PRO A 31 59.190 8.321 10.238 1.00 0.00 C ATOM 0 HA PRO A 31 58.119 8.060 7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.321 8.466 9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.584 6.998 8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.554 7.290 11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 31 58.400 6.345 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.036 9.088 10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 31 60.130 7.822 10.475 1.00 0.00 H new ATOM 525 N GLN A 32 57.242 10.903 8.593 1.00 0.00 N ATOM 526 CA GLN A 32 56.400 12.114 8.337 1.00 0.00 C ATOM 527 C GLN A 32 57.107 13.052 7.352 1.00 0.00 C ATOM 528 O GLN A 32 56.469 13.802 6.637 1.00 0.00 O ATOM 529 CB GLN A 32 56.211 12.787 9.699 1.00 0.00 C ATOM 530 CG GLN A 32 55.178 13.910 9.577 1.00 0.00 C ATOM 531 CD GLN A 32 53.781 13.305 9.425 1.00 0.00 C ATOM 532 OE1 GLN A 32 53.291 12.647 10.321 1.00 0.00 O ATOM 533 NE2 GLN A 32 53.115 13.501 8.320 1.00 0.00 N ATOM 0 H GLN A 32 57.783 10.925 9.458 1.00 0.00 H new ATOM 0 HA GLN A 32 55.440 11.855 7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 32 55.881 12.054 10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 32 57.161 13.189 10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 32 55.215 14.550 10.459 1.00 0.00 H new ATOM 0 HG3 GLN A 32 55.409 14.539 8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.526 14.053 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 32 52.183 13.102 8.209 1.00 0.00 H new ATOM 542 N GLU A 33 58.417 13.014 7.310 1.00 0.00 N ATOM 543 CA GLU A 33 59.160 13.797 6.272 1.00 0.00 C ATOM 544 C GLU A 33 59.323 12.986 4.973 1.00 0.00 C ATOM 545 O GLU A 33 59.956 13.444 4.039 1.00 0.00 O ATOM 546 CB GLU A 33 60.526 14.087 6.896 1.00 0.00 C ATOM 547 CG GLU A 33 60.363 15.099 8.033 1.00 0.00 C ATOM 548 CD GLU A 33 61.731 15.423 8.642 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.553 14.524 8.730 1.00 0.00 O ATOM 550 OE2 GLU A 33 61.935 16.568 9.012 1.00 0.00 O ATOM 0 H GLU A 33 59.003 12.476 7.948 1.00 0.00 H new ATOM 0 HA GLU A 33 58.627 14.708 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 33 60.967 13.165 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.207 14.479 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.898 16.010 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 33 59.701 14.695 8.799 1.00 0.00 H new ATOM 557 N CYS A 34 58.761 11.788 4.898 1.00 0.00 N ATOM 558 CA CYS A 34 58.932 10.921 3.678 1.00 0.00 C ATOM 559 C CYS A 34 60.411 10.810 3.273 1.00 0.00 C ATOM 560 O CYS A 34 60.744 10.824 2.100 1.00 0.00 O ATOM 561 CB CYS A 34 58.121 11.614 2.577 1.00 0.00 C ATOM 562 SG CYS A 34 56.359 11.283 2.825 1.00 0.00 S ATOM 0 H CYS A 34 58.189 11.376 5.636 1.00 0.00 H new ATOM 0 HA CYS A 34 58.591 9.902 3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.306 12.688 2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.435 11.253 1.598 1.00 0.00 H new ATOM 0 HG CYS A 34 55.671 11.873 1.893 1.00 0.00 H new ATOM 568 N THR A 35 61.298 10.697 4.234 1.00 0.00 N ATOM 569 CA THR A 35 62.759 10.694 3.911 1.00 0.00 C ATOM 570 C THR A 35 63.477 9.604 4.706 1.00 0.00 C ATOM 571 O THR A 35 63.056 9.234 5.783 1.00 0.00 O ATOM 572 CB THR A 35 63.261 12.081 4.326 1.00 0.00 C ATOM 573 OG1 THR A 35 62.793 12.381 5.633 1.00 0.00 O ATOM 574 CG2 THR A 35 62.749 13.142 3.342 1.00 0.00 C ATOM 0 H THR A 35 61.073 10.607 5.225 1.00 0.00 H new ATOM 0 HA THR A 35 62.946 10.491 2.857 1.00 0.00 H new ATOM 0 HB THR A 35 64.351 12.084 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.115 13.267 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.111 14.124 3.645 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.113 12.915 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.659 13.141 3.341 1.00 0.00 H new ATOM 582 N ILE A 36 64.560 9.088 4.177 1.00 0.00 N ATOM 583 CA ILE A 36 65.339 8.046 4.915 1.00 0.00 C ATOM 584 C ILE A 36 66.840 8.248 4.684 1.00 0.00 C ATOM 585 O ILE A 36 67.247 8.921 3.757 1.00 0.00 O ATOM 586 CB ILE A 36 64.871 6.694 4.346 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.098 6.643 2.826 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.380 6.501 4.642 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.918 5.208 2.328 1.00 0.00 C ATOM 0 H ILE A 36 64.938 9.344 3.265 1.00 0.00 H new ATOM 0 HA ILE A 36 65.174 8.099 5.991 1.00 0.00 H new ATOM 0 HB ILE A 36 65.448 5.898 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.395 7.305 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.100 6.999 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.050 5.544 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.218 6.516 5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.810 7.306 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.079 5.174 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.639 4.558 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.907 4.868 2.555 1.00 0.00 H new ATOM 601 N ALA A 37 67.660 7.666 5.523 1.00 0.00 N ATOM 602 CA ALA A 37 69.137 7.731 5.308 1.00 0.00 C ATOM 603 C ALA A 37 69.756 6.359 5.576 1.00 0.00 C ATOM 604 O ALA A 37 69.540 5.766 6.617 1.00 0.00 O ATOM 605 CB ALA A 37 69.652 8.763 6.314 1.00 0.00 C ATOM 0 H ALA A 37 67.368 7.147 6.351 1.00 0.00 H new ATOM 0 HA ALA A 37 69.396 8.010 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.733 8.862 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.179 9.726 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.411 8.436 7.326 1.00 0.00 H new ATOM 611 N LEU A 38 70.522 5.860 4.639 1.00 0.00 N ATOM 612 CA LEU A 38 71.126 4.503 4.792 1.00 0.00 C ATOM 613 C LEU A 38 72.633 4.632 5.001 1.00 0.00 C ATOM 614 O LEU A 38 73.255 5.546 4.493 1.00 0.00 O ATOM 615 CB LEU A 38 70.831 3.777 3.474 1.00 0.00 C ATOM 616 CG LEU A 38 69.317 3.632 3.278 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.034 3.101 1.872 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.755 2.652 4.313 1.00 0.00 C ATOM 0 H LEU A 38 70.756 6.338 3.769 1.00 0.00 H new ATOM 0 HA LEU A 38 70.721 3.964 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.262 4.332 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.301 2.793 3.479 1.00 0.00 H new ATOM 0 HG LEU A 38 68.842 4.605 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.958 2.998 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.431 3.797 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.511 2.129 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.679 2.551 4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.230 1.679 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.955 3.028 5.316 1.00 0.00 H new ATOM 630 N SER A 39 73.222 3.726 5.740 1.00 0.00 N ATOM 631 CA SER A 39 74.686 3.816 6.016 1.00 0.00 C ATOM 632 C SER A 39 75.377 2.571 5.473 1.00 0.00 C ATOM 633 O SER A 39 74.774 1.519 5.384 1.00 0.00 O ATOM 634 CB SER A 39 74.803 3.880 7.538 1.00 0.00 C ATOM 635 OG SER A 39 74.332 2.662 8.098 1.00 0.00 O ATOM 0 H SER A 39 72.750 2.927 6.164 1.00 0.00 H new ATOM 0 HA SER A 39 75.153 4.681 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.840 4.049 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.223 4.719 7.924 1.00 0.00 H new ATOM 0 HG SER A 39 74.408 2.700 9.074 1.00 0.00 H new ATOM 641 N SER A 40 76.638 2.682 5.109 1.00 0.00 N ATOM 642 CA SER A 40 77.351 1.560 4.408 1.00 0.00 C ATOM 643 C SER A 40 76.469 0.983 3.287 1.00 0.00 C ATOM 644 O SER A 40 75.768 0.003 3.470 1.00 0.00 O ATOM 645 CB SER A 40 77.658 0.517 5.492 1.00 0.00 C ATOM 646 OG SER A 40 76.479 -0.200 5.832 1.00 0.00 O ATOM 0 H SER A 40 77.209 3.512 5.270 1.00 0.00 H new ATOM 0 HA SER A 40 78.270 1.894 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.422 -0.174 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.061 1.010 6.377 1.00 0.00 H new ATOM 0 HG SER A 40 75.736 0.109 5.273 1.00 0.00 H new ATOM 652 N VAL A 41 76.500 1.610 2.137 1.00 0.00 N ATOM 653 CA VAL A 41 75.658 1.152 0.991 1.00 0.00 C ATOM 654 C VAL A 41 76.499 1.128 -0.296 1.00 0.00 C ATOM 655 O VAL A 41 77.429 1.898 -0.450 1.00 0.00 O ATOM 656 CB VAL A 41 74.504 2.170 0.911 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.050 3.563 0.587 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.502 1.752 -0.175 1.00 0.00 C ATOM 0 H VAL A 41 77.079 2.427 1.943 1.00 0.00 H new ATOM 0 HA VAL A 41 75.274 0.140 1.121 1.00 0.00 H new ATOM 0 HB VAL A 41 73.999 2.196 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.225 4.274 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.745 3.872 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.569 3.536 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.691 2.479 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.008 1.710 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.095 0.770 0.064 1.00 0.00 H new ATOM 668 N ARG A 42 76.175 0.251 -1.211 1.00 0.00 N ATOM 669 CA ARG A 42 76.920 0.189 -2.507 1.00 0.00 C ATOM 670 C ARG A 42 75.934 0.038 -3.674 1.00 0.00 C ATOM 671 O ARG A 42 74.847 -0.481 -3.507 1.00 0.00 O ATOM 672 CB ARG A 42 77.840 -1.038 -2.394 1.00 0.00 C ATOM 673 CG ARG A 42 77.015 -2.315 -2.175 1.00 0.00 C ATOM 674 CD ARG A 42 77.955 -3.484 -1.863 1.00 0.00 C ATOM 675 NE ARG A 42 77.075 -4.696 -1.797 1.00 0.00 N ATOM 676 CZ ARG A 42 77.486 -5.815 -1.231 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.686 -5.923 -0.707 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.681 -6.841 -1.194 1.00 0.00 N ATOM 0 H ARG A 42 75.421 -0.430 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 42 77.495 1.095 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.438 -1.136 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.536 -0.902 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.312 -2.170 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.425 -2.536 -3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.716 -3.593 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.478 -3.327 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 42 76.138 -4.655 -2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.326 -5.130 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.977 -6.800 -0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.748 -6.772 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 42 76.985 -7.712 -0.760 1.00 0.00 H new ATOM 692 N SER A 43 76.309 0.492 -4.845 1.00 0.00 N ATOM 693 CA SER A 43 75.407 0.366 -6.033 1.00 0.00 C ATOM 694 C SER A 43 75.962 -0.687 -6.998 1.00 0.00 C ATOM 695 O SER A 43 77.157 -0.765 -7.218 1.00 0.00 O ATOM 696 CB SER A 43 75.408 1.751 -6.680 1.00 0.00 C ATOM 697 OG SER A 43 76.689 2.009 -7.241 1.00 0.00 O ATOM 0 H SER A 43 77.204 0.946 -5.030 1.00 0.00 H new ATOM 0 HA SER A 43 74.400 0.050 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.642 1.803 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.164 2.511 -5.938 1.00 0.00 H new ATOM 0 HG SER A 43 76.691 2.896 -7.658 1.00 0.00 H new ATOM 703 N PHE A 44 75.102 -1.493 -7.573 1.00 0.00 N ATOM 704 CA PHE A 44 75.588 -2.630 -8.420 1.00 0.00 C ATOM 705 C PHE A 44 75.907 -2.159 -9.842 1.00 0.00 C ATOM 706 O PHE A 44 76.868 -2.605 -10.443 1.00 0.00 O ATOM 707 CB PHE A 44 74.438 -3.640 -8.438 1.00 0.00 C ATOM 708 CG PHE A 44 74.207 -4.314 -7.106 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.057 -5.368 -6.690 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.141 -3.895 -6.275 1.00 0.00 C ATOM 711 CE1 PHE A 44 74.841 -6.001 -5.441 1.00 0.00 C ATOM 712 CE2 PHE A 44 72.924 -4.527 -5.026 1.00 0.00 C ATOM 713 CZ PHE A 44 73.774 -5.581 -4.610 1.00 0.00 C ATOM 0 H PHE A 44 74.088 -1.414 -7.494 1.00 0.00 H new ATOM 0 HA PHE A 44 76.507 -3.061 -8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.523 -3.132 -8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.645 -4.401 -9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.870 -5.689 -7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.492 -3.092 -6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.490 -6.804 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.111 -4.206 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.608 -6.065 -3.659 1.00 0.00 H new ATOM 723 N GLY A 45 75.115 -1.265 -10.387 1.00 0.00 N ATOM 724 CA GLY A 45 75.410 -0.737 -11.751 1.00 0.00 C ATOM 725 C GLY A 45 74.207 0.043 -12.293 1.00 0.00 C ATOM 726 O GLY A 45 73.142 0.049 -11.706 1.00 0.00 O ATOM 0 H GLY A 45 74.280 -0.881 -9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.286 -0.089 -11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.650 -1.561 -12.423 1.00 0.00 H new ATOM 730 N THR A 46 74.385 0.701 -13.415 1.00 0.00 N ATOM 731 CA THR A 46 73.243 1.397 -14.091 1.00 0.00 C ATOM 732 C THR A 46 72.987 0.806 -15.489 1.00 0.00 C ATOM 733 O THR A 46 72.176 1.316 -16.238 1.00 0.00 O ATOM 734 CB THR A 46 73.671 2.866 -14.205 1.00 0.00 C ATOM 735 OG1 THR A 46 75.056 2.943 -14.519 1.00 0.00 O ATOM 736 CG2 THR A 46 73.401 3.594 -12.884 1.00 0.00 C ATOM 0 H THR A 46 75.281 0.786 -13.895 1.00 0.00 H new ATOM 0 HA THR A 46 72.317 1.282 -13.528 1.00 0.00 H new ATOM 0 HB THR A 46 73.095 3.341 -14.999 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.323 3.883 -14.592 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.708 4.636 -12.974 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.337 3.547 -12.654 1.00 0.00 H new ATOM 0 HG23 THR A 46 73.966 3.117 -12.083 1.00 0.00 H new ATOM 744 N GLU A 47 73.673 -0.266 -15.840 1.00 0.00 N ATOM 745 CA GLU A 47 73.700 -0.749 -17.265 1.00 0.00 C ATOM 746 C GLU A 47 72.292 -0.895 -17.871 1.00 0.00 C ATOM 747 O GLU A 47 72.129 -0.839 -19.076 1.00 0.00 O ATOM 748 CB GLU A 47 74.410 -2.114 -17.220 1.00 0.00 C ATOM 749 CG GLU A 47 73.630 -3.096 -16.336 1.00 0.00 C ATOM 750 CD GLU A 47 74.415 -4.402 -16.204 1.00 0.00 C ATOM 751 OE1 GLU A 47 75.581 -4.335 -15.849 1.00 0.00 O ATOM 752 OE2 GLU A 47 73.839 -5.446 -16.460 1.00 0.00 O ATOM 0 H GLU A 47 74.221 -0.831 -15.191 1.00 0.00 H new ATOM 0 HA GLU A 47 74.214 -0.028 -17.901 1.00 0.00 H new ATOM 0 HB2 GLU A 47 74.501 -2.517 -18.229 1.00 0.00 H new ATOM 0 HB3 GLU A 47 75.422 -1.992 -16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 47 73.462 -2.660 -15.351 1.00 0.00 H new ATOM 0 HG3 GLU A 47 72.649 -3.292 -16.770 1.00 0.00 H new ATOM 759 N ASP A 48 71.280 -1.082 -17.056 1.00 0.00 N ATOM 760 CA ASP A 48 69.898 -1.274 -17.612 1.00 0.00 C ATOM 761 C ASP A 48 69.413 0.006 -18.306 1.00 0.00 C ATOM 762 O ASP A 48 69.108 0.001 -19.484 1.00 0.00 O ATOM 763 CB ASP A 48 69.012 -1.593 -16.403 1.00 0.00 C ATOM 764 CG ASP A 48 69.421 -2.943 -15.804 1.00 0.00 C ATOM 765 OD1 ASP A 48 69.671 -3.859 -16.571 1.00 0.00 O ATOM 766 OD2 ASP A 48 69.477 -3.036 -14.590 1.00 0.00 O ATOM 0 H ASP A 48 71.348 -1.110 -16.039 1.00 0.00 H new ATOM 0 HA ASP A 48 69.871 -2.069 -18.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.107 -0.808 -15.653 1.00 0.00 H new ATOM 0 HB3 ASP A 48 67.965 -1.620 -16.705 1.00 0.00 H new ATOM 771 N ARG A 49 69.342 1.098 -17.583 1.00 0.00 N ATOM 772 CA ARG A 49 68.954 2.402 -18.209 1.00 0.00 C ATOM 773 C ARG A 49 70.190 3.217 -18.624 1.00 0.00 C ATOM 774 O ARG A 49 70.075 4.376 -18.977 1.00 0.00 O ATOM 775 CB ARG A 49 68.159 3.144 -17.133 1.00 0.00 C ATOM 776 CG ARG A 49 66.701 2.677 -17.164 1.00 0.00 C ATOM 777 CD ARG A 49 65.828 3.667 -16.386 1.00 0.00 C ATOM 778 NE ARG A 49 64.414 3.284 -16.702 1.00 0.00 N ATOM 779 CZ ARG A 49 63.410 4.109 -16.471 1.00 0.00 C ATOM 780 NH1 ARG A 49 63.600 5.299 -15.950 1.00 0.00 N ATOM 781 NH2 ARG A 49 62.196 3.730 -16.767 1.00 0.00 N ATOM 0 H ARG A 49 69.537 1.142 -16.583 1.00 0.00 H new ATOM 0 HA ARG A 49 68.374 2.248 -19.119 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.592 2.955 -16.151 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.212 4.219 -17.303 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.354 2.603 -18.195 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.618 1.682 -16.727 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.022 3.605 -15.315 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.034 4.694 -16.688 1.00 0.00 H new ATOM 0 HE ARG A 49 64.223 2.366 -17.104 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.543 5.607 -15.713 1.00 0.00 H new ATOM 0 HH12 ARG A 49 62.805 5.915 -15.783 1.00 0.00 H new ATOM 0 HH21 ARG A 49 62.034 2.808 -17.171 1.00 0.00 H new ATOM 0 HH22 ARG A 49 61.410 4.356 -16.594 1.00 0.00 H new ATOM 795 N ASP A 50 71.367 2.630 -18.587 1.00 0.00 N ATOM 796 CA ASP A 50 72.623 3.426 -18.805 1.00 0.00 C ATOM 797 C ASP A 50 72.607 4.130 -20.170 1.00 0.00 C ATOM 798 O ASP A 50 71.716 3.930 -20.974 1.00 0.00 O ATOM 799 CB ASP A 50 73.777 2.407 -18.735 1.00 0.00 C ATOM 800 CG ASP A 50 73.667 1.366 -19.865 1.00 0.00 C ATOM 801 OD1 ASP A 50 72.603 1.254 -20.456 1.00 0.00 O ATOM 802 OD2 ASP A 50 74.656 0.697 -20.118 1.00 0.00 O ATOM 0 H ASP A 50 71.512 1.635 -18.415 1.00 0.00 H new ATOM 0 HA ASP A 50 72.727 4.211 -18.056 1.00 0.00 H new ATOM 0 HB2 ASP A 50 74.731 2.928 -18.808 1.00 0.00 H new ATOM 0 HB3 ASP A 50 73.763 1.902 -17.769 1.00 0.00 H new ATOM 807 N THR A 51 73.597 4.951 -20.423 1.00 0.00 N ATOM 808 CA THR A 51 73.715 5.619 -21.757 1.00 0.00 C ATOM 809 C THR A 51 74.304 4.642 -22.775 1.00 0.00 C ATOM 810 O THR A 51 74.858 3.620 -22.413 1.00 0.00 O ATOM 811 CB THR A 51 74.662 6.802 -21.538 1.00 0.00 C ATOM 812 OG1 THR A 51 74.230 7.549 -20.408 1.00 0.00 O ATOM 813 CG2 THR A 51 74.656 7.698 -22.776 1.00 0.00 C ATOM 0 H THR A 51 74.333 5.189 -19.758 1.00 0.00 H new ATOM 0 HA THR A 51 72.749 5.946 -22.142 1.00 0.00 H new ATOM 0 HB THR A 51 75.673 6.432 -21.365 1.00 0.00 H new ATOM 0 HG1 THR A 51 74.836 8.306 -20.265 1.00 0.00 H new ATOM 0 HG21 THR A 51 75.330 8.540 -22.619 1.00 0.00 H new ATOM 0 HG22 THR A 51 74.987 7.124 -23.642 1.00 0.00 H new ATOM 0 HG23 THR A 51 73.646 8.070 -22.951 1.00 0.00 H new ATOM 821 N GLN A 52 74.186 4.949 -24.044 1.00 0.00 N ATOM 822 CA GLN A 52 74.729 4.024 -25.095 1.00 0.00 C ATOM 823 C GLN A 52 76.260 4.155 -25.217 1.00 0.00 C ATOM 824 O GLN A 52 76.868 3.535 -26.071 1.00 0.00 O ATOM 825 CB GLN A 52 74.038 4.425 -26.412 1.00 0.00 C ATOM 826 CG GLN A 52 74.315 5.896 -26.752 1.00 0.00 C ATOM 827 CD GLN A 52 74.055 6.133 -28.241 1.00 0.00 C ATOM 828 OE1 GLN A 52 73.117 5.599 -28.798 1.00 0.00 O ATOM 829 NE2 GLN A 52 74.853 6.917 -28.913 1.00 0.00 N ATOM 0 H GLN A 52 73.740 5.795 -24.399 1.00 0.00 H new ATOM 0 HA GLN A 52 74.531 2.983 -24.841 1.00 0.00 H new ATOM 0 HB2 GLN A 52 74.393 3.788 -27.222 1.00 0.00 H new ATOM 0 HB3 GLN A 52 72.963 4.264 -26.327 1.00 0.00 H new ATOM 0 HG2 GLN A 52 73.677 6.545 -26.153 1.00 0.00 H new ATOM 0 HG3 GLN A 52 75.347 6.149 -26.507 1.00 0.00 H new ATOM 0 HE21 GLN A 52 75.641 7.365 -28.445 1.00 0.00 H new ATOM 0 HE22 GLN A 52 74.689 7.081 -29.906 1.00 0.00 H new ATOM 838 N PHE A 53 76.887 4.951 -24.377 1.00 0.00 N ATOM 839 CA PHE A 53 78.378 4.918 -24.273 1.00 0.00 C ATOM 840 C PHE A 53 78.792 4.014 -23.107 1.00 0.00 C ATOM 841 O PHE A 53 77.982 3.671 -22.265 1.00 0.00 O ATOM 842 CB PHE A 53 78.795 6.369 -24.012 1.00 0.00 C ATOM 843 CG PHE A 53 79.063 7.167 -25.272 1.00 0.00 C ATOM 844 CD1 PHE A 53 78.177 7.078 -26.376 1.00 0.00 C ATOM 845 CD2 PHE A 53 80.201 8.006 -25.346 1.00 0.00 C ATOM 846 CE1 PHE A 53 78.431 7.828 -27.550 1.00 0.00 C ATOM 847 CE2 PHE A 53 80.454 8.756 -26.521 1.00 0.00 C ATOM 848 CZ PHE A 53 79.569 8.666 -27.623 1.00 0.00 C ATOM 0 H PHE A 53 76.427 5.621 -23.761 1.00 0.00 H new ATOM 0 HA PHE A 53 78.852 4.523 -25.171 1.00 0.00 H new ATOM 0 HB2 PHE A 53 78.011 6.865 -23.440 1.00 0.00 H new ATOM 0 HB3 PHE A 53 79.692 6.373 -23.393 1.00 0.00 H new ATOM 0 HD1 PHE A 53 77.309 6.438 -26.321 1.00 0.00 H new ATOM 0 HD2 PHE A 53 80.877 8.074 -24.506 1.00 0.00 H new ATOM 0 HE1 PHE A 53 77.756 7.760 -28.390 1.00 0.00 H new ATOM 0 HE2 PHE A 53 81.322 9.396 -26.576 1.00 0.00 H new ATOM 0 HZ PHE A 53 79.763 9.237 -28.519 1.00 0.00 H new ATOM 858 N GLN A 54 80.044 3.628 -23.054 1.00 0.00 N ATOM 859 CA GLN A 54 80.498 2.680 -21.985 1.00 0.00 C ATOM 860 C GLN A 54 80.464 3.363 -20.613 1.00 0.00 C ATOM 861 O GLN A 54 80.866 4.503 -20.469 1.00 0.00 O ATOM 862 CB GLN A 54 81.936 2.302 -22.356 1.00 0.00 C ATOM 863 CG GLN A 54 81.940 1.510 -23.666 1.00 0.00 C ATOM 864 CD GLN A 54 81.346 0.119 -23.428 1.00 0.00 C ATOM 865 OE1 GLN A 54 81.703 -0.553 -22.481 1.00 0.00 O ATOM 866 NE2 GLN A 54 80.447 -0.343 -24.254 1.00 0.00 N ATOM 0 H GLN A 54 80.771 3.927 -23.703 1.00 0.00 H new ATOM 0 HA GLN A 54 79.852 1.804 -21.922 1.00 0.00 H new ATOM 0 HB2 GLN A 54 82.543 3.201 -22.462 1.00 0.00 H new ATOM 0 HB3 GLN A 54 82.383 1.708 -21.559 1.00 0.00 H new ATOM 0 HG2 GLN A 54 81.362 2.039 -24.424 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.958 1.422 -24.046 1.00 0.00 H new ATOM 0 HE21 GLN A 54 80.147 0.221 -25.049 1.00 0.00 H new ATOM 0 HE22 GLN A 54 80.044 -1.268 -24.104 1.00 0.00 H new ATOM 875 N ILE A 55 79.983 2.669 -19.608 1.00 0.00 N ATOM 876 CA ILE A 55 79.969 3.242 -18.223 1.00 0.00 C ATOM 877 C ILE A 55 80.906 2.431 -17.322 1.00 0.00 C ATOM 878 O ILE A 55 80.910 1.214 -17.356 1.00 0.00 O ATOM 879 CB ILE A 55 78.510 3.124 -17.738 1.00 0.00 C ATOM 880 CG1 ILE A 55 77.550 3.817 -18.729 1.00 0.00 C ATOM 881 CG2 ILE A 55 78.372 3.776 -16.356 1.00 0.00 C ATOM 882 CD1 ILE A 55 77.918 5.298 -18.900 1.00 0.00 C ATOM 0 H ILE A 55 79.598 1.728 -19.688 1.00 0.00 H new ATOM 0 HA ILE A 55 80.310 4.277 -18.201 1.00 0.00 H new ATOM 0 HB ILE A 55 78.249 2.067 -17.676 1.00 0.00 H new ATOM 0 HG12 ILE A 55 77.592 3.314 -19.695 1.00 0.00 H new ATOM 0 HG13 ILE A 55 76.525 3.732 -18.369 1.00 0.00 H new ATOM 0 HG21 ILE A 55 77.340 3.691 -16.015 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.030 3.272 -15.648 1.00 0.00 H new ATOM 0 HG23 ILE A 55 78.647 4.829 -16.421 1.00 0.00 H new ATOM 0 HD11 ILE A 55 77.228 5.766 -19.603 1.00 0.00 H new ATOM 0 HD12 ILE A 55 77.852 5.803 -17.936 1.00 0.00 H new ATOM 0 HD13 ILE A 55 78.935 5.378 -19.283 1.00 0.00 H new ATOM 894 N ALA A 56 81.698 3.099 -16.518 1.00 0.00 N ATOM 895 CA ALA A 56 82.659 2.375 -15.630 1.00 0.00 C ATOM 896 C ALA A 56 82.052 2.193 -14.226 1.00 0.00 C ATOM 897 O ALA A 56 81.908 3.160 -13.501 1.00 0.00 O ATOM 898 CB ALA A 56 83.891 3.280 -15.563 1.00 0.00 C ATOM 0 H ALA A 56 81.720 4.116 -16.439 1.00 0.00 H new ATOM 0 HA ALA A 56 82.900 1.380 -16.005 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.647 2.819 -14.928 1.00 0.00 H new ATOM 0 HB2 ALA A 56 84.295 3.419 -16.566 1.00 0.00 H new ATOM 0 HB3 ALA A 56 83.609 4.248 -15.148 1.00 0.00 H new ATOM 904 N PRO A 57 81.710 0.962 -13.878 1.00 0.00 N ATOM 905 CA PRO A 57 81.160 0.690 -12.524 1.00 0.00 C ATOM 906 C PRO A 57 82.250 0.871 -11.462 1.00 0.00 C ATOM 907 O PRO A 57 83.392 0.504 -11.666 1.00 0.00 O ATOM 908 CB PRO A 57 80.705 -0.768 -12.593 1.00 0.00 C ATOM 909 CG PRO A 57 81.486 -1.372 -13.716 1.00 0.00 C ATOM 910 CD PRO A 57 81.796 -0.266 -14.688 1.00 0.00 C ATOM 0 HA PRO A 57 80.349 1.365 -12.252 1.00 0.00 H new ATOM 0 HB2 PRO A 57 80.901 -1.286 -11.654 1.00 0.00 H new ATOM 0 HB3 PRO A 57 79.633 -0.837 -12.777 1.00 0.00 H new ATOM 0 HG2 PRO A 57 82.405 -1.827 -13.345 1.00 0.00 H new ATOM 0 HG3 PRO A 57 80.913 -2.162 -14.202 1.00 0.00 H new ATOM 0 HD2 PRO A 57 82.787 -0.386 -15.125 1.00 0.00 H new ATOM 0 HD3 PRO A 57 81.084 -0.250 -15.513 1.00 0.00 H new ATOM 918 N GLN A 58 81.901 1.438 -10.331 1.00 0.00 N ATOM 919 CA GLN A 58 82.903 1.631 -9.237 1.00 0.00 C ATOM 920 C GLN A 58 82.517 0.795 -8.014 1.00 0.00 C ATOM 921 O GLN A 58 81.364 0.750 -7.625 1.00 0.00 O ATOM 922 CB GLN A 58 82.847 3.123 -8.906 1.00 0.00 C ATOM 923 CG GLN A 58 83.372 3.933 -10.094 1.00 0.00 C ATOM 924 CD GLN A 58 83.280 5.429 -9.777 1.00 0.00 C ATOM 925 OE1 GLN A 58 82.353 5.869 -9.128 1.00 0.00 O ATOM 926 NE2 GLN A 58 84.211 6.233 -10.211 1.00 0.00 N ATOM 0 H GLN A 58 80.962 1.776 -10.119 1.00 0.00 H new ATOM 0 HA GLN A 58 83.904 1.317 -9.534 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.823 3.417 -8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 58 83.444 3.332 -8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 58 84.405 3.659 -10.306 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.792 3.704 -10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 58 84.990 5.864 -10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 58 84.160 7.231 -10.005 1.00 0.00 H new ATOM 935 N SER A 59 83.474 0.135 -7.409 1.00 0.00 N ATOM 936 CA SER A 59 83.176 -0.696 -6.201 1.00 0.00 C ATOM 937 C SER A 59 83.350 0.119 -4.907 1.00 0.00 C ATOM 938 O SER A 59 83.363 -0.435 -3.823 1.00 0.00 O ATOM 939 CB SER A 59 84.187 -1.842 -6.246 1.00 0.00 C ATOM 940 OG SER A 59 83.919 -2.658 -7.379 1.00 0.00 O ATOM 0 H SER A 59 84.451 0.136 -7.701 1.00 0.00 H new ATOM 0 HA SER A 59 82.145 -1.051 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.201 -1.446 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 59 84.124 -2.434 -5.333 1.00 0.00 H new ATOM 0 HG SER A 59 84.566 -3.393 -7.413 1.00 0.00 H new ATOM 946 N GLN A 60 83.484 1.425 -5.009 1.00 0.00 N ATOM 947 CA GLN A 60 83.663 2.268 -3.778 1.00 0.00 C ATOM 948 C GLN A 60 82.422 2.178 -2.882 1.00 0.00 C ATOM 949 O GLN A 60 81.302 2.197 -3.358 1.00 0.00 O ATOM 950 CB GLN A 60 83.845 3.700 -4.292 1.00 0.00 C ATOM 951 CG GLN A 60 84.273 4.608 -3.137 1.00 0.00 C ATOM 952 CD GLN A 60 84.327 6.059 -3.620 1.00 0.00 C ATOM 953 OE1 GLN A 60 83.329 6.605 -4.047 1.00 0.00 O ATOM 954 NE2 GLN A 60 85.456 6.709 -3.570 1.00 0.00 N ATOM 0 H GLN A 60 83.477 1.941 -5.889 1.00 0.00 H new ATOM 0 HA GLN A 60 84.512 1.938 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.596 3.721 -5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 60 82.914 4.062 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.571 4.515 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.250 4.302 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 60 86.293 6.250 -3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 60 85.502 7.677 -3.889 1.00 0.00 H new ATOM 963 N ILE A 61 82.620 2.081 -1.590 1.00 0.00 N ATOM 964 CA ILE A 61 81.459 2.004 -0.648 1.00 0.00 C ATOM 965 C ILE A 61 81.160 3.396 -0.079 1.00 0.00 C ATOM 966 O ILE A 61 82.056 4.120 0.312 1.00 0.00 O ATOM 967 CB ILE A 61 81.907 1.046 0.472 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.315 -0.322 -0.118 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.764 0.846 1.476 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.149 -0.951 -0.895 1.00 0.00 C ATOM 0 H ILE A 61 83.538 2.052 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 61 80.551 1.652 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 61 82.767 1.485 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.173 -0.197 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.626 -0.991 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 81.088 0.167 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.491 1.807 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.900 0.422 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.460 -1.914 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.302 -1.096 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 61 80.857 -0.290 -1.711 1.00 0.00 H new ATOM 982 N TYR A 62 79.903 3.771 -0.033 1.00 0.00 N ATOM 983 CA TYR A 62 79.533 5.114 0.509 1.00 0.00 C ATOM 984 C TYR A 62 79.155 5.001 1.988 1.00 0.00 C ATOM 985 O TYR A 62 78.207 4.325 2.341 1.00 0.00 O ATOM 986 CB TYR A 62 78.324 5.554 -0.316 1.00 0.00 C ATOM 987 CG TYR A 62 78.624 5.720 -1.788 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.278 6.888 -2.249 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.252 4.706 -2.705 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.559 7.044 -3.629 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.533 4.861 -4.083 1.00 0.00 C ATOM 992 CZ TYR A 62 79.187 6.030 -4.546 1.00 0.00 C ATOM 993 OH TYR A 62 79.461 6.181 -5.890 1.00 0.00 O ATOM 0 H TYR A 62 79.117 3.202 -0.349 1.00 0.00 H new ATOM 0 HA TYR A 62 80.356 5.826 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.527 4.820 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.950 6.499 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.563 7.660 -1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.754 3.815 -2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 62 80.056 7.935 -3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.249 4.088 -4.782 1.00 0.00 H new ATOM 0 HH TYR A 62 79.141 5.395 -6.379 1.00 0.00 H new ATOM 1003 N ASP A 63 79.899 5.657 2.852 1.00 0.00 N ATOM 1004 CA ASP A 63 79.575 5.646 4.322 1.00 0.00 C ATOM 1005 C ASP A 63 78.106 6.014 4.581 1.00 0.00 C ATOM 1006 O ASP A 63 77.443 5.406 5.401 1.00 0.00 O ATOM 1007 CB ASP A 63 80.490 6.710 4.933 1.00 0.00 C ATOM 1008 CG ASP A 63 80.460 6.598 6.459 1.00 0.00 C ATOM 1009 OD1 ASP A 63 81.197 5.782 6.988 1.00 0.00 O ATOM 1010 OD2 ASP A 63 79.701 7.329 7.072 1.00 0.00 O ATOM 0 H ASP A 63 80.723 6.204 2.601 1.00 0.00 H new ATOM 0 HA ASP A 63 79.725 4.656 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 63 81.509 6.580 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.165 7.704 4.625 1.00 0.00 H new ATOM 1015 N TYR A 64 77.600 7.006 3.886 1.00 0.00 N ATOM 1016 CA TYR A 64 76.216 7.501 4.165 1.00 0.00 C ATOM 1017 C TYR A 64 75.608 8.117 2.903 1.00 0.00 C ATOM 1018 O TYR A 64 76.221 8.940 2.249 1.00 0.00 O ATOM 1019 CB TYR A 64 76.395 8.569 5.246 1.00 0.00 C ATOM 1020 CG TYR A 64 75.103 9.024 5.894 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.119 9.705 5.132 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.882 8.779 7.271 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.920 10.137 5.746 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.681 9.212 7.884 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.701 9.891 7.123 1.00 0.00 C ATOM 1026 OH TYR A 64 71.532 10.314 7.721 1.00 0.00 O ATOM 0 H TYR A 64 78.089 7.495 3.136 1.00 0.00 H new ATOM 0 HA TYR A 64 75.546 6.701 4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.058 8.179 6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.892 9.434 4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.286 9.894 4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.630 8.262 7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.172 10.655 5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.513 9.023 8.934 1.00 0.00 H new ATOM 0 HH TYR A 64 71.541 10.065 8.669 1.00 0.00 H new ATOM 1036 N ILE A 65 74.406 7.721 2.559 1.00 0.00 N ATOM 1037 CA ILE A 65 73.673 8.401 1.442 1.00 0.00 C ATOM 1038 C ILE A 65 72.262 8.790 1.905 1.00 0.00 C ATOM 1039 O ILE A 65 71.523 7.973 2.424 1.00 0.00 O ATOM 1040 CB ILE A 65 73.619 7.379 0.291 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.050 7.045 -0.161 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.836 7.971 -0.893 1.00 0.00 C ATOM 1043 CD1 ILE A 65 75.019 5.980 -1.267 1.00 0.00 C ATOM 0 H ILE A 65 73.899 6.955 3.004 1.00 0.00 H new ATOM 0 HA ILE A 65 74.167 9.319 1.124 1.00 0.00 H new ATOM 0 HB ILE A 65 73.121 6.473 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.544 7.945 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.632 6.684 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.800 7.245 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.821 8.210 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.331 8.878 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 65 76.038 5.751 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.544 5.075 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.454 6.357 -2.119 1.00 0.00 H new ATOM 1055 N LEU A 66 71.893 10.035 1.716 1.00 0.00 N ATOM 1056 CA LEU A 66 70.507 10.481 2.059 1.00 0.00 C ATOM 1057 C LEU A 66 69.592 10.315 0.842 1.00 0.00 C ATOM 1058 O LEU A 66 69.967 10.636 -0.271 1.00 0.00 O ATOM 1059 CB LEU A 66 70.643 11.960 2.435 1.00 0.00 C ATOM 1060 CG LEU A 66 69.310 12.478 2.982 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.059 11.884 4.369 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.362 14.004 3.083 1.00 0.00 C ATOM 0 H LEU A 66 72.497 10.764 1.337 1.00 0.00 H new ATOM 0 HA LEU A 66 70.071 9.898 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.427 12.085 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.939 12.541 1.562 1.00 0.00 H new ATOM 0 HG LEU A 66 68.503 12.183 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.110 12.254 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.023 10.797 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.865 12.177 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.414 14.375 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.169 14.297 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.540 14.428 2.095 1.00 0.00 H new ATOM 1074 N PHE A 67 68.397 9.818 1.048 1.00 0.00 N ATOM 1075 CA PHE A 67 67.489 9.530 -0.104 1.00 0.00 C ATOM 1076 C PHE A 67 66.063 9.999 0.203 1.00 0.00 C ATOM 1077 O PHE A 67 65.517 9.704 1.249 1.00 0.00 O ATOM 1078 CB PHE A 67 67.527 8.008 -0.262 1.00 0.00 C ATOM 1079 CG PHE A 67 68.639 7.506 -1.155 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.895 8.138 -2.397 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.410 6.387 -0.760 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.920 7.650 -3.240 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.440 5.902 -1.602 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.695 6.534 -2.843 1.00 0.00 C ATOM 0 H PHE A 67 68.011 9.599 1.966 1.00 0.00 H new ATOM 0 HA PHE A 67 67.801 10.048 -1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.634 7.554 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.572 7.672 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.307 8.992 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.213 5.902 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 67 70.112 8.130 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 67 71.031 5.051 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.480 6.165 -3.486 1.00 0.00 H new ATOM 1094 N ARG A 68 65.463 10.729 -0.706 1.00 0.00 N ATOM 1095 CA ARG A 68 64.026 11.113 -0.543 1.00 0.00 C ATOM 1096 C ARG A 68 63.117 10.084 -1.229 1.00 0.00 C ATOM 1097 O ARG A 68 63.494 9.455 -2.203 1.00 0.00 O ATOM 1098 CB ARG A 68 63.897 12.477 -1.228 1.00 0.00 C ATOM 1099 CG ARG A 68 64.688 13.522 -0.437 1.00 0.00 C ATOM 1100 CD ARG A 68 64.473 14.907 -1.057 1.00 0.00 C ATOM 1101 NE ARG A 68 65.103 14.833 -2.414 1.00 0.00 N ATOM 1102 CZ ARG A 68 66.413 14.872 -2.571 1.00 0.00 C ATOM 1103 NH1 ARG A 68 67.228 14.961 -1.545 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.910 14.817 -3.776 1.00 0.00 N ATOM 0 H ARG A 68 65.908 11.076 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 68 63.729 11.151 0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.271 12.419 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.848 12.768 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.366 13.525 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.749 13.271 -0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 68 63.412 15.146 -1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 68 64.935 15.686 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 68 64.505 14.750 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 68 66.853 15.002 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 68 68.236 14.989 -1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 68 66.288 14.745 -4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 68 67.920 14.846 -3.913 1.00 0.00 H new ATOM 1118 N GLY A 69 61.918 9.911 -0.727 1.00 0.00 N ATOM 1119 CA GLY A 69 60.950 8.967 -1.372 1.00 0.00 C ATOM 1120 C GLY A 69 60.653 9.402 -2.817 1.00 0.00 C ATOM 1121 O GLY A 69 60.266 8.596 -3.642 1.00 0.00 O ATOM 0 H GLY A 69 61.566 10.385 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.360 7.957 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.024 8.938 -0.797 1.00 0.00 H new ATOM 1125 N SER A 70 60.830 10.667 -3.126 1.00 0.00 N ATOM 1126 CA SER A 70 60.479 11.169 -4.494 1.00 0.00 C ATOM 1127 C SER A 70 61.411 10.568 -5.556 1.00 0.00 C ATOM 1128 O SER A 70 60.969 10.183 -6.623 1.00 0.00 O ATOM 1129 CB SER A 70 60.659 12.687 -4.429 1.00 0.00 C ATOM 1130 OG SER A 70 62.039 12.990 -4.268 1.00 0.00 O ATOM 0 H SER A 70 61.202 11.372 -2.490 1.00 0.00 H new ATOM 0 HA SER A 70 59.464 10.887 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.277 13.149 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.085 13.098 -3.598 1.00 0.00 H new ATOM 0 HG SER A 70 62.158 13.962 -4.228 1.00 0.00 H new ATOM 1136 N ASP A 71 62.691 10.485 -5.274 1.00 0.00 N ATOM 1137 CA ASP A 71 63.658 9.997 -6.312 1.00 0.00 C ATOM 1138 C ASP A 71 63.692 8.464 -6.352 1.00 0.00 C ATOM 1139 O ASP A 71 63.884 7.874 -7.399 1.00 0.00 O ATOM 1140 CB ASP A 71 65.031 10.575 -5.927 1.00 0.00 C ATOM 1141 CG ASP A 71 65.453 10.097 -4.533 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.128 10.775 -3.574 1.00 0.00 O ATOM 1143 OD2 ASP A 71 66.095 9.063 -4.451 1.00 0.00 O ATOM 0 H ASP A 71 63.106 10.732 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 71 63.364 10.322 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.777 10.271 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.990 11.664 -5.946 1.00 0.00 H new ATOM 1148 N ILE A 72 63.509 7.816 -5.226 1.00 0.00 N ATOM 1149 CA ILE A 72 63.473 6.319 -5.219 1.00 0.00 C ATOM 1150 C ILE A 72 62.024 5.826 -5.120 1.00 0.00 C ATOM 1151 O ILE A 72 61.224 6.357 -4.373 1.00 0.00 O ATOM 1152 CB ILE A 72 64.335 5.916 -4.010 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.809 6.055 -4.409 1.00 0.00 C ATOM 1154 CG2 ILE A 72 64.063 4.462 -3.592 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.660 6.318 -3.172 1.00 0.00 C ATOM 0 H ILE A 72 63.383 8.257 -4.315 1.00 0.00 H new ATOM 0 HA ILE A 72 63.862 5.869 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 72 64.091 6.562 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.147 5.146 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.926 6.871 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.687 4.207 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 72 63.013 4.352 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.296 3.795 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.706 6.415 -3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.330 7.239 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.554 5.487 -2.474 1.00 0.00 H new ATOM 1167 N LYS A 73 61.696 4.806 -5.877 1.00 0.00 N ATOM 1168 CA LYS A 73 60.263 4.440 -6.076 1.00 0.00 C ATOM 1169 C LYS A 73 59.892 3.158 -5.319 1.00 0.00 C ATOM 1170 O LYS A 73 58.723 2.902 -5.091 1.00 0.00 O ATOM 1171 CB LYS A 73 60.122 4.225 -7.584 1.00 0.00 C ATOM 1172 CG LYS A 73 58.641 4.107 -7.950 1.00 0.00 C ATOM 1173 CD LYS A 73 58.505 3.833 -9.448 1.00 0.00 C ATOM 1174 CE LYS A 73 57.025 3.863 -9.840 1.00 0.00 C ATOM 1175 NZ LYS A 73 57.021 3.800 -11.328 1.00 0.00 N ATOM 0 H LYS A 73 62.364 4.211 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 73 59.598 5.215 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.575 5.056 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.654 3.322 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.178 3.302 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.117 5.026 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.058 4.580 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.937 2.863 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.485 3.021 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.540 4.771 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.040 3.816 -11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.537 4.618 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 57.483 2.922 -11.640 1.00 0.00 H new ATOM 1189 N ASP A 74 60.854 2.349 -4.923 1.00 0.00 N ATOM 1190 CA ASP A 74 60.488 1.076 -4.220 1.00 0.00 C ATOM 1191 C ASP A 74 61.573 0.662 -3.222 1.00 0.00 C ATOM 1192 O ASP A 74 62.745 0.632 -3.538 1.00 0.00 O ATOM 1193 CB ASP A 74 60.343 0.033 -5.329 1.00 0.00 C ATOM 1194 CG ASP A 74 59.727 -1.244 -4.753 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.512 -1.300 -4.656 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.480 -2.144 -4.420 1.00 0.00 O ATOM 0 H ASP A 74 61.853 2.511 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 74 59.571 1.187 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.715 0.423 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.317 -0.186 -5.766 1.00 0.00 H new ATOM 1201 N ILE A 75 61.171 0.343 -2.013 1.00 0.00 N ATOM 1202 CA ILE A 75 62.137 -0.156 -0.987 1.00 0.00 C ATOM 1203 C ILE A 75 61.575 -1.420 -0.314 1.00 0.00 C ATOM 1204 O ILE A 75 60.400 -1.493 -0.006 1.00 0.00 O ATOM 1205 CB ILE A 75 62.283 1.001 0.020 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.313 0.625 1.091 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.937 1.302 0.693 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.724 1.878 1.866 1.00 0.00 C ATOM 0 H ILE A 75 60.205 0.409 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 75 63.101 -0.433 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 75 62.616 1.889 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.892 -0.115 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.187 0.169 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 75 61.059 2.122 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.206 1.583 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.588 0.415 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.456 1.611 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 75 64.162 2.603 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.847 2.315 2.344 1.00 0.00 H new ATOM 1220 N ARG A 76 62.407 -2.409 -0.089 1.00 0.00 N ATOM 1221 CA ARG A 76 61.924 -3.671 0.557 1.00 0.00 C ATOM 1222 C ARG A 76 63.026 -4.281 1.429 1.00 0.00 C ATOM 1223 O ARG A 76 64.195 -4.221 1.097 1.00 0.00 O ATOM 1224 CB ARG A 76 61.578 -4.608 -0.602 1.00 0.00 C ATOM 1225 CG ARG A 76 60.363 -4.066 -1.358 1.00 0.00 C ATOM 1226 CD ARG A 76 59.865 -5.123 -2.349 1.00 0.00 C ATOM 1227 NE ARG A 76 59.330 -6.240 -1.504 1.00 0.00 N ATOM 1228 CZ ARG A 76 59.123 -7.443 -2.005 1.00 0.00 C ATOM 1229 NH1 ARG A 76 59.367 -7.716 -3.267 1.00 0.00 N ATOM 1230 NH2 ARG A 76 58.660 -8.385 -1.229 1.00 0.00 N ATOM 0 H ARG A 76 63.399 -2.397 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 76 61.067 -3.495 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.429 -4.696 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.366 -5.608 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.570 -3.808 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.629 -3.152 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.091 -4.717 -3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 76 60.673 -5.470 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 76 59.122 -6.066 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 76 59.726 -6.989 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 76 59.198 -8.655 -3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 76 58.463 -8.187 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 76 58.495 -9.319 -1.604 1.00 0.00 H new ATOM 1244 N VAL A 77 62.657 -4.870 2.542 1.00 0.00 N ATOM 1245 CA VAL A 77 63.676 -5.512 3.437 1.00 0.00 C ATOM 1246 C VAL A 77 63.971 -6.942 2.964 1.00 0.00 C ATOM 1247 O VAL A 77 63.103 -7.621 2.445 1.00 0.00 O ATOM 1248 CB VAL A 77 63.068 -5.515 4.855 1.00 0.00 C ATOM 1249 CG1 VAL A 77 62.842 -4.073 5.318 1.00 0.00 C ATOM 1250 CG2 VAL A 77 61.726 -6.265 4.874 1.00 0.00 C ATOM 0 H VAL A 77 61.694 -4.935 2.871 1.00 0.00 H new ATOM 0 HA VAL A 77 64.621 -4.969 3.422 1.00 0.00 H new ATOM 0 HB VAL A 77 63.763 -6.021 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 77 62.412 -4.076 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 77 63.794 -3.542 5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 77 62.159 -3.573 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 77 61.317 -6.254 5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 77 61.027 -5.778 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.881 -7.296 4.557 1.00 0.00 H new ATOM 1260 N VAL A 78 65.189 -7.397 3.137 1.00 0.00 N ATOM 1261 CA VAL A 78 65.555 -8.772 2.674 1.00 0.00 C ATOM 1262 C VAL A 78 65.446 -9.762 3.842 1.00 0.00 C ATOM 1263 O VAL A 78 65.987 -9.535 4.909 1.00 0.00 O ATOM 1264 CB VAL A 78 67.009 -8.661 2.184 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.493 -10.020 1.667 1.00 0.00 C ATOM 1266 CG2 VAL A 78 67.095 -7.637 1.046 1.00 0.00 C ATOM 0 H VAL A 78 65.945 -6.875 3.579 1.00 0.00 H new ATOM 0 HA VAL A 78 64.895 -9.135 1.886 1.00 0.00 H new ATOM 0 HB VAL A 78 67.636 -8.342 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.523 -9.932 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.441 -10.755 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.860 -10.341 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 78 68.126 -7.561 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.459 -7.957 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.760 -6.664 1.406 1.00 0.00 H new