USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 493 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 27 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl -171:sc= -2.73 (180deg=-2.89) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.0631 (180deg=-0.415) USER MOD Single : A 56 SER OG : rot 31:sc= 0.158 USER MOD Single : A 67 GLN : amide:sc= -0.0739 K(o=-0.074,f=-2.1!) USER MOD Single : A 69 GLN : amide:sc= -1.04! C(o=-1!,f=-6.3!) USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.326 USER MOD Single : A 72 TYR OH : rot 7:sc= -0.427 USER MOD Single : A 73 SER OG : rot 130:sc= -0.0338 USER MOD Single : A 86 SER OG : rot 150:sc= 0.0126 USER MOD Single : A 90 SER OG : rot 32:sc= 1.11 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N LEU A 13 -5.505 4.500 -1.679 1.00 0.00 N ATOM 149 CA LEU A 13 -4.702 3.294 -1.853 1.00 0.00 C ATOM 150 C LEU A 13 -5.541 2.160 -2.432 1.00 0.00 C ATOM 151 O LEU A 13 -6.694 1.967 -2.047 1.00 0.00 O ATOM 152 CB LEU A 13 -4.096 2.864 -0.516 1.00 0.00 C ATOM 153 CG LEU A 13 -3.510 1.452 -0.467 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.101 1.439 -1.040 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.513 0.923 0.959 1.00 0.00 C ATOM 0 HA LEU A 13 -3.898 3.520 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.310 3.571 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.866 2.943 0.251 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.134 0.799 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.700 0.426 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.127 1.775 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.465 2.106 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.093 -0.083 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.913 1.577 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.536 0.895 1.334 1.00 0.00 H new ATOM 167 N VAL A 14 -4.953 1.409 -3.359 1.00 0.00 N ATOM 168 CA VAL A 14 -5.645 0.291 -3.989 1.00 0.00 C ATOM 169 C VAL A 14 -4.802 -0.978 -3.934 1.00 0.00 C ATOM 170 O VAL A 14 -3.938 -1.200 -4.783 1.00 0.00 O ATOM 171 CB VAL A 14 -5.991 0.601 -5.457 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.685 -0.587 -6.105 1.00 0.00 C ATOM 173 CG2 VAL A 14 -6.856 1.850 -5.548 1.00 0.00 C ATOM 0 H VAL A 14 -3.999 1.555 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.568 0.135 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.064 0.789 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.922 -0.349 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.026 -1.455 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.605 -0.810 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.091 2.054 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.780 1.694 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.317 2.698 -5.125 1.00 0.00 H new ATOM 183 N VAL A 15 -5.058 -1.809 -2.929 1.00 0.00 N ATOM 184 CA VAL A 15 -4.324 -3.058 -2.763 1.00 0.00 C ATOM 185 C VAL A 15 -4.822 -4.121 -3.737 1.00 0.00 C ATOM 186 O VAL A 15 -6.004 -4.162 -4.074 1.00 0.00 O ATOM 187 CB VAL A 15 -4.449 -3.596 -1.325 1.00 0.00 C ATOM 188 CG1 VAL A 15 -5.904 -3.601 -0.881 1.00 0.00 C ATOM 189 CG2 VAL A 15 -3.847 -4.989 -1.224 1.00 0.00 C ATOM 0 H VAL A 15 -5.769 -1.640 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.277 -2.840 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.894 -2.936 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.972 -3.984 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.298 -2.585 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.486 -4.237 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.944 -5.354 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.373 -5.662 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.792 -4.950 -1.497 1.00 0.00 H new ATOM 199 N GLU A 16 -3.910 -4.979 -4.183 1.00 0.00 N ATOM 200 CA GLU A 16 -4.258 -6.043 -5.119 1.00 0.00 C ATOM 201 C GLU A 16 -3.592 -7.357 -4.720 1.00 0.00 C ATOM 202 O GLU A 16 -2.368 -7.474 -4.676 1.00 0.00 O ATOM 203 CB GLU A 16 -3.841 -5.658 -6.540 1.00 0.00 C ATOM 204 CG GLU A 16 -3.954 -6.799 -7.537 1.00 0.00 C ATOM 205 CD GLU A 16 -5.334 -6.896 -8.158 1.00 0.00 C ATOM 206 OE1 GLU A 16 -5.621 -6.115 -9.090 1.00 0.00 O ATOM 207 OE2 GLU A 16 -6.128 -7.751 -7.713 1.00 0.00 O ATOM 0 H GLU A 16 -2.927 -4.959 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.339 -6.180 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.460 -4.828 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.811 -5.302 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.214 -6.662 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.718 -7.738 -7.037 1.00 0.00 H new ATOM 214 N PRO A 17 -4.418 -8.371 -4.421 1.00 0.00 N ATOM 215 CA PRO A 17 -5.878 -8.243 -4.469 1.00 0.00 C ATOM 216 C PRO A 17 -6.419 -7.347 -3.360 1.00 0.00 C ATOM 217 O PRO A 17 -5.764 -7.146 -2.338 1.00 0.00 O ATOM 218 CB PRO A 17 -6.366 -9.681 -4.280 1.00 0.00 C ATOM 219 CG PRO A 17 -5.266 -10.360 -3.539 1.00 0.00 C ATOM 220 CD PRO A 17 -3.991 -9.719 -4.012 1.00 0.00 C ATOM 0 HA PRO A 17 -6.216 -7.782 -5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.300 -9.712 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.555 -10.164 -5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.388 -10.239 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.263 -11.431 -3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.243 -9.681 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.548 -10.269 -4.842 1.00 0.00 H new ATOM 228 N GLU A 18 -7.617 -6.811 -3.570 1.00 0.00 N ATOM 229 CA GLU A 18 -8.244 -5.935 -2.587 1.00 0.00 C ATOM 230 C GLU A 18 -8.545 -6.693 -1.297 1.00 0.00 C ATOM 231 O GLU A 18 -8.968 -6.105 -0.303 1.00 0.00 O ATOM 232 CB GLU A 18 -9.534 -5.338 -3.153 1.00 0.00 C ATOM 233 CG GLU A 18 -10.546 -6.382 -3.594 1.00 0.00 C ATOM 234 CD GLU A 18 -10.371 -6.788 -5.044 1.00 0.00 C ATOM 235 OE1 GLU A 18 -10.033 -5.913 -5.868 1.00 0.00 O ATOM 236 OE2 GLU A 18 -10.573 -7.980 -5.355 1.00 0.00 O ATOM 0 H GLU A 18 -8.172 -6.968 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.547 -5.128 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.990 -4.698 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.287 -4.702 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.453 -7.264 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.553 -5.990 -3.449 1.00 0.00 H new ATOM 243 N GLY A 19 -8.323 -8.004 -1.322 1.00 0.00 N ATOM 244 CA GLY A 19 -8.575 -8.821 -0.150 1.00 0.00 C ATOM 245 C GLY A 19 -7.510 -8.653 0.915 1.00 0.00 C ATOM 246 O GLY A 19 -7.791 -8.769 2.107 1.00 0.00 O ATOM 0 H GLY A 19 -7.973 -8.514 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.547 -8.560 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.626 -9.869 -0.446 1.00 0.00 H new ATOM 250 N GLY A 20 -6.282 -8.380 0.484 1.00 0.00 N ATOM 251 CA GLY A 20 -5.189 -8.202 1.422 1.00 0.00 C ATOM 252 C GLY A 20 -4.574 -9.519 1.852 1.00 0.00 C ATOM 253 O GLY A 20 -3.914 -9.594 2.888 1.00 0.00 O ATOM 0 H GLY A 20 -6.025 -8.279 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.421 -7.578 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.552 -7.670 2.301 1.00 0.00 H new ATOM 257 N ALA A 21 -4.792 -10.560 1.056 1.00 0.00 N ATOM 258 CA ALA A 21 -4.254 -11.880 1.360 1.00 0.00 C ATOM 259 C ALA A 21 -3.908 -12.639 0.083 1.00 0.00 C ATOM 260 O ALA A 21 -4.683 -12.649 -0.874 1.00 0.00 O ATOM 261 CB ALA A 21 -5.245 -12.674 2.196 1.00 0.00 C ATOM 0 H ALA A 21 -5.338 -10.515 0.195 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.336 -11.748 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.830 -13.658 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.439 -12.146 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.177 -12.789 1.643 1.00 0.00 H new ATOM 267 N VAL A 22 -2.740 -13.273 0.075 1.00 0.00 N ATOM 268 CA VAL A 22 -2.293 -14.036 -1.085 1.00 0.00 C ATOM 269 C VAL A 22 -1.500 -15.267 -0.660 1.00 0.00 C ATOM 270 O VAL A 22 -0.842 -15.266 0.379 1.00 0.00 O ATOM 271 CB VAL A 22 -1.422 -13.176 -2.020 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.185 -11.942 -2.475 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.124 -12.785 -1.329 1.00 0.00 C ATOM 0 H VAL A 22 -2.086 -13.274 0.858 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.188 -14.351 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.174 -13.767 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.554 -11.347 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.084 -12.247 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.465 -11.346 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.479 -12.178 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.349 -12.213 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.429 -13.684 -1.058 1.00 0.00 H new ATOM 283 N ALA A 23 -1.568 -16.317 -1.472 1.00 0.00 N ATOM 284 CA ALA A 23 -0.855 -17.554 -1.183 1.00 0.00 C ATOM 285 C ALA A 23 0.621 -17.286 -0.905 1.00 0.00 C ATOM 286 O ALA A 23 1.155 -16.226 -1.232 1.00 0.00 O ATOM 287 CB ALA A 23 -1.007 -18.534 -2.337 1.00 0.00 C ATOM 0 H ALA A 23 -2.110 -16.335 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.292 -17.994 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.469 -19.454 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.063 -18.759 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.598 -18.092 -3.246 1.00 0.00 H new ATOM 293 N PRO A 24 1.296 -18.266 -0.288 1.00 0.00 N ATOM 294 CA PRO A 24 2.719 -18.159 0.047 1.00 0.00 C ATOM 295 C PRO A 24 3.609 -18.191 -1.190 1.00 0.00 C ATOM 296 O PRO A 24 4.121 -19.243 -1.571 1.00 0.00 O ATOM 297 CB PRO A 24 2.972 -19.390 0.921 1.00 0.00 C ATOM 298 CG PRO A 24 1.930 -20.370 0.505 1.00 0.00 C ATOM 299 CD PRO A 24 0.722 -19.556 0.131 1.00 0.00 C ATOM 0 HA PRO A 24 2.952 -17.215 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.975 -19.788 0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.887 -19.148 1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.273 -20.970 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.699 -21.062 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.156 -20.024 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.041 -19.438 0.973 1.00 0.00 H new ATOM 307 N GLY A 25 3.791 -17.031 -1.814 1.00 0.00 N ATOM 308 CA GLY A 25 4.621 -16.950 -3.002 1.00 0.00 C ATOM 309 C GLY A 25 3.914 -16.270 -4.158 1.00 0.00 C ATOM 310 O GLY A 25 4.199 -16.551 -5.321 1.00 0.00 O ATOM 0 H GLY A 25 3.379 -16.146 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.534 -16.404 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.919 -17.955 -3.303 1.00 0.00 H new ATOM 314 N GLY A 26 2.987 -15.372 -3.837 1.00 0.00 N ATOM 315 CA GLY A 26 2.250 -14.665 -4.868 1.00 0.00 C ATOM 316 C GLY A 26 2.867 -13.322 -5.204 1.00 0.00 C ATOM 317 O GLY A 26 4.061 -13.107 -4.993 1.00 0.00 O ATOM 0 H GLY A 26 2.734 -15.122 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.211 -15.279 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.222 -14.517 -4.538 1.00 0.00 H new ATOM 321 N THR A 27 2.051 -12.414 -5.731 1.00 0.00 N ATOM 322 CA THR A 27 2.524 -11.085 -6.100 1.00 0.00 C ATOM 323 C THR A 27 1.463 -10.027 -5.820 1.00 0.00 C ATOM 324 O THR A 27 0.418 -9.994 -6.471 1.00 0.00 O ATOM 325 CB THR A 27 2.916 -11.021 -7.588 1.00 0.00 C ATOM 326 OG1 THR A 27 3.829 -12.080 -7.900 1.00 0.00 O ATOM 327 CG2 THR A 27 3.553 -9.681 -7.923 1.00 0.00 C ATOM 0 H THR A 27 1.060 -12.575 -5.912 1.00 0.00 H new ATOM 0 HA THR A 27 3.405 -10.883 -5.491 1.00 0.00 H new ATOM 0 HB THR A 27 2.011 -11.134 -8.184 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.072 -12.033 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.821 -9.660 -8.979 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.846 -8.879 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.449 -9.543 -7.318 1.00 0.00 H new ATOM 335 N VAL A 28 1.737 -9.163 -4.848 1.00 0.00 N ATOM 336 CA VAL A 28 0.806 -8.101 -4.484 1.00 0.00 C ATOM 337 C VAL A 28 1.179 -6.787 -5.161 1.00 0.00 C ATOM 338 O VAL A 28 2.353 -6.425 -5.237 1.00 0.00 O ATOM 339 CB VAL A 28 0.768 -7.888 -2.959 1.00 0.00 C ATOM 340 CG1 VAL A 28 0.063 -6.583 -2.620 1.00 0.00 C ATOM 341 CG2 VAL A 28 0.090 -9.064 -2.273 1.00 0.00 C ATOM 0 H VAL A 28 2.596 -9.177 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.181 -8.414 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 28 1.793 -7.826 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.046 -6.449 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.596 -5.751 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.959 -6.612 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.072 -8.896 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.931 -9.161 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.642 -9.979 -2.489 1.00 0.00 H new ATOM 351 N THR A 29 0.170 -6.075 -5.653 1.00 0.00 N ATOM 352 CA THR A 29 0.390 -4.800 -6.325 1.00 0.00 C ATOM 353 C THR A 29 -0.237 -3.651 -5.544 1.00 0.00 C ATOM 354 O THR A 29 -1.445 -3.421 -5.621 1.00 0.00 O ATOM 355 CB THR A 29 -0.186 -4.811 -7.753 1.00 0.00 C ATOM 356 OG1 THR A 29 0.288 -5.960 -8.464 1.00 0.00 O ATOM 357 CG2 THR A 29 0.203 -3.546 -8.503 1.00 0.00 C ATOM 0 H THR A 29 -0.808 -6.360 -5.599 1.00 0.00 H new ATOM 0 HA THR A 29 1.469 -4.653 -6.378 1.00 0.00 H new ATOM 0 HB THR A 29 -1.273 -4.852 -7.683 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.084 -5.960 -9.371 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.215 -3.576 -9.509 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.186 -2.676 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.289 -3.478 -8.563 1.00 0.00 H new ATOM 365 N LEU A 30 0.589 -2.932 -4.792 1.00 0.00 N ATOM 366 CA LEU A 30 0.114 -1.805 -3.997 1.00 0.00 C ATOM 367 C LEU A 30 0.196 -0.505 -4.792 1.00 0.00 C ATOM 368 O LEU A 30 1.277 0.054 -4.980 1.00 0.00 O ATOM 369 CB LEU A 30 0.933 -1.682 -2.711 1.00 0.00 C ATOM 370 CG LEU A 30 1.011 -2.937 -1.842 1.00 0.00 C ATOM 371 CD1 LEU A 30 2.292 -2.941 -1.022 1.00 0.00 C ATOM 372 CD2 LEU A 30 -0.206 -3.033 -0.934 1.00 0.00 C ATOM 0 H LEU A 30 1.591 -3.109 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.930 -1.987 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.947 -1.385 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.512 -0.875 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 30 1.021 -3.808 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.329 -3.842 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.152 -2.921 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.314 -2.063 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.134 -3.932 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.247 -2.157 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.110 -3.079 -1.541 1.00 0.00 H new ATOM 384 N THR A 31 -0.955 -0.028 -5.255 1.00 0.00 N ATOM 385 CA THR A 31 -1.015 1.206 -6.029 1.00 0.00 C ATOM 386 C THR A 31 -1.712 2.313 -5.245 1.00 0.00 C ATOM 387 O THR A 31 -2.920 2.257 -5.015 1.00 0.00 O ATOM 388 CB THR A 31 -1.751 0.997 -7.365 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.212 -0.140 -8.048 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.630 2.230 -8.248 1.00 0.00 C ATOM 0 H THR A 31 -1.859 -0.478 -5.107 1.00 0.00 H new ATOM 0 HA THR A 31 0.014 1.501 -6.233 1.00 0.00 H new ATOM 0 HB THR A 31 -2.806 0.825 -7.151 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.686 -0.267 -8.896 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.158 2.059 -9.186 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.067 3.088 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.578 2.428 -8.454 1.00 0.00 H new ATOM 398 N CYS A 32 -0.943 3.318 -4.839 1.00 0.00 N ATOM 399 CA CYS A 32 -1.487 4.439 -4.081 1.00 0.00 C ATOM 400 C CYS A 32 -1.504 5.709 -4.926 1.00 0.00 C ATOM 401 O CYS A 32 -1.376 6.816 -4.403 1.00 0.00 O ATOM 402 CB CYS A 32 -0.666 4.668 -2.811 1.00 0.00 C ATOM 403 SG CYS A 32 -1.621 5.364 -1.424 1.00 0.00 S ATOM 0 H CYS A 32 0.059 3.379 -5.022 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.512 4.195 -3.803 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.229 3.720 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.161 5.339 -3.042 1.00 0.00 H new ATOM 519 N GLN A 41 4.826 12.176 -3.883 1.00 0.00 N ATOM 520 CA GLN A 41 5.938 11.416 -3.325 1.00 0.00 C ATOM 521 C GLN A 41 5.438 10.369 -2.335 1.00 0.00 C ATOM 522 O GLN A 41 5.233 10.663 -1.157 1.00 0.00 O ATOM 523 CB GLN A 41 6.930 12.354 -2.636 1.00 0.00 C ATOM 524 CG GLN A 41 7.587 13.346 -3.582 1.00 0.00 C ATOM 525 CD GLN A 41 8.955 13.791 -3.104 1.00 0.00 C ATOM 526 OE1 GLN A 41 9.225 13.825 -1.903 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.827 14.136 -4.044 1.00 0.00 N ATOM 0 HA GLN A 41 6.443 10.904 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.412 12.903 -1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.704 11.759 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.681 12.893 -4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.943 14.219 -3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.560 14.093 -5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.763 14.444 -3.782 1.00 0.00 H new ATOM 536 N ILE A 42 5.243 9.148 -2.820 1.00 0.00 N ATOM 537 CA ILE A 42 4.768 8.058 -1.977 1.00 0.00 C ATOM 538 C ILE A 42 5.929 7.210 -1.468 1.00 0.00 C ATOM 539 O ILE A 42 6.816 6.829 -2.233 1.00 0.00 O ATOM 540 CB ILE A 42 3.778 7.152 -2.733 1.00 0.00 C ATOM 541 CG1 ILE A 42 2.620 7.980 -3.293 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.257 6.055 -1.816 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.874 8.509 -4.688 1.00 0.00 C ATOM 0 H ILE A 42 5.407 8.888 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 42 4.256 8.515 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 42 4.301 6.684 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.718 7.368 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.427 8.819 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.559 5.423 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.092 5.450 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.747 6.505 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.011 9.086 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.757 9.148 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.037 7.674 -5.370 1.00 0.00 H new ATOM 555 N HIS A 43 5.916 6.917 -0.172 1.00 0.00 N ATOM 556 CA HIS A 43 6.967 6.111 0.440 1.00 0.00 C ATOM 557 C HIS A 43 6.390 4.838 1.051 1.00 0.00 C ATOM 558 O HIS A 43 5.426 4.887 1.814 1.00 0.00 O ATOM 559 CB HIS A 43 7.699 6.919 1.512 1.00 0.00 C ATOM 560 CG HIS A 43 8.877 7.681 0.988 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.807 9.001 0.597 1.00 0.00 N ATOM 562 CD2 HIS A 43 10.162 7.301 0.793 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.996 9.400 0.183 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.836 8.387 0.292 1.00 0.00 N ATOM 0 H HIS A 43 5.190 7.225 0.475 1.00 0.00 H new ATOM 0 HA HIS A 43 7.675 5.830 -0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.999 7.618 1.970 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.035 6.243 2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.579 6.325 0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.240 10.387 -0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.825 8.408 0.044 1.00 0.00 H new ATOM 573 N TRP A 44 6.985 3.701 0.709 1.00 0.00 N ATOM 574 CA TRP A 44 6.529 2.415 1.223 1.00 0.00 C ATOM 575 C TRP A 44 7.272 2.046 2.503 1.00 0.00 C ATOM 576 O TRP A 44 8.494 1.906 2.503 1.00 0.00 O ATOM 577 CB TRP A 44 6.727 1.322 0.171 1.00 0.00 C ATOM 578 CG TRP A 44 5.995 1.591 -1.109 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.534 2.033 -2.284 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.591 1.437 -1.342 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.549 2.163 -3.233 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.349 1.803 -2.681 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.516 1.024 -0.551 1.00 0.00 C ATOM 584 CZ2 TRP A 44 3.075 1.768 -3.242 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.252 0.991 -1.110 1.00 0.00 C ATOM 586 CH2 TRP A 44 2.041 1.360 -2.445 1.00 0.00 C ATOM 0 H TRP A 44 7.784 3.644 0.078 1.00 0.00 H new ATOM 0 HA TRP A 44 5.467 2.500 1.453 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.791 1.221 -0.042 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.391 0.369 0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.580 2.248 -2.443 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.689 2.477 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.670 0.736 0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.909 2.053 -4.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.413 0.675 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.042 1.322 -2.853 1.00 0.00 H new ATOM 597 N MET A 45 6.525 1.890 3.591 1.00 0.00 N ATOM 598 CA MET A 45 7.115 1.536 4.877 1.00 0.00 C ATOM 599 C MET A 45 6.620 0.170 5.344 1.00 0.00 C ATOM 600 O MET A 45 5.583 -0.314 4.891 1.00 0.00 O ATOM 601 CB MET A 45 6.780 2.598 5.926 1.00 0.00 C ATOM 602 CG MET A 45 7.213 4.001 5.530 1.00 0.00 C ATOM 603 SD MET A 45 6.952 5.205 6.846 1.00 0.00 S ATOM 604 CE MET A 45 8.256 4.749 7.986 1.00 0.00 C ATOM 0 H MET A 45 5.511 2.003 3.608 1.00 0.00 H new ATOM 0 HA MET A 45 8.197 1.488 4.752 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.705 2.595 6.104 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.259 2.331 6.868 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.269 3.988 5.258 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.660 4.311 4.644 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.129 5.294 8.921 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.210 3.678 8.181 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.224 4.997 7.550 1.00 0.00 H new ATOM 614 N LYS A 46 7.369 -0.446 6.252 1.00 0.00 N ATOM 615 CA LYS A 46 7.007 -1.756 6.782 1.00 0.00 C ATOM 616 C LYS A 46 7.019 -1.748 8.307 1.00 0.00 C ATOM 617 O LYS A 46 8.079 -1.817 8.929 1.00 0.00 O ATOM 618 CB LYS A 46 7.971 -2.824 6.259 1.00 0.00 C ATOM 619 CG LYS A 46 7.341 -4.200 6.130 1.00 0.00 C ATOM 620 CD LYS A 46 8.324 -5.212 5.567 1.00 0.00 C ATOM 621 CE LYS A 46 7.983 -6.627 6.011 1.00 0.00 C ATOM 622 NZ LYS A 46 8.189 -6.813 7.474 1.00 0.00 N ATOM 0 H LYS A 46 8.231 -0.059 6.637 1.00 0.00 H new ATOM 0 HA LYS A 46 5.997 -1.990 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.350 -2.514 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.828 -2.887 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.992 -4.535 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.466 -4.142 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.318 -5.160 4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.333 -4.961 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.945 -6.847 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.601 -7.339 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.348 -7.821 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.017 -6.263 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.346 -6.485 7.988 1.00 0.00 H new ATOM 636 N ASP A 47 5.834 -1.665 8.902 1.00 0.00 N ATOM 637 CA ASP A 47 5.708 -1.651 10.355 1.00 0.00 C ATOM 638 C ASP A 47 6.212 -0.331 10.932 1.00 0.00 C ATOM 639 O ASP A 47 6.735 -0.288 12.044 1.00 0.00 O ATOM 640 CB ASP A 47 6.484 -2.818 10.967 1.00 0.00 C ATOM 641 CG ASP A 47 6.096 -3.078 12.409 1.00 0.00 C ATOM 642 OD1 ASP A 47 6.606 -2.365 13.299 1.00 0.00 O ATOM 643 OD2 ASP A 47 5.282 -3.995 12.648 1.00 0.00 O ATOM 0 H ASP A 47 4.947 -1.606 8.401 1.00 0.00 H new ATOM 0 HA ASP A 47 4.652 -1.756 10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.306 -3.718 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.552 -2.608 10.913 1.00 0.00 H new ATOM 648 N GLY A 48 6.051 0.744 10.165 1.00 0.00 N ATOM 649 CA GLY A 48 6.496 2.049 10.616 1.00 0.00 C ATOM 650 C GLY A 48 7.981 2.262 10.400 1.00 0.00 C ATOM 651 O GLY A 48 8.619 3.021 11.130 1.00 0.00 O ATOM 0 H GLY A 48 5.621 0.734 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.940 2.822 10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.266 2.162 11.676 1.00 0.00 H new ATOM 655 N VAL A 49 8.534 1.590 9.396 1.00 0.00 N ATOM 656 CA VAL A 49 9.954 1.708 9.087 1.00 0.00 C ATOM 657 C VAL A 49 10.174 1.936 7.595 1.00 0.00 C ATOM 658 O VAL A 49 9.659 1.207 6.748 1.00 0.00 O ATOM 659 CB VAL A 49 10.731 0.452 9.523 1.00 0.00 C ATOM 660 CG1 VAL A 49 12.182 0.539 9.076 1.00 0.00 C ATOM 661 CG2 VAL A 49 10.639 0.265 11.030 1.00 0.00 C ATOM 0 H VAL A 49 8.020 0.958 8.782 1.00 0.00 H new ATOM 0 HA VAL A 49 10.328 2.568 9.643 1.00 0.00 H new ATOM 0 HB VAL A 49 10.280 -0.417 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.715 -0.357 9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.224 0.621 7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.649 1.416 9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.194 -0.627 11.320 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.063 1.135 11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.594 0.153 11.320 1.00 0.00 H new ATOM 671 N PRO A 50 10.959 2.973 7.265 1.00 0.00 N ATOM 672 CA PRO A 50 11.266 3.321 5.874 1.00 0.00 C ATOM 673 C PRO A 50 12.175 2.294 5.207 1.00 0.00 C ATOM 674 O PRO A 50 13.349 2.167 5.559 1.00 0.00 O ATOM 675 CB PRO A 50 11.981 4.669 5.996 1.00 0.00 C ATOM 676 CG PRO A 50 12.564 4.666 7.367 1.00 0.00 C ATOM 677 CD PRO A 50 11.606 3.885 8.223 1.00 0.00 C ATOM 0 HA PRO A 50 10.370 3.353 5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.756 4.776 5.237 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.287 5.499 5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.553 4.207 7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.683 5.682 7.742 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.125 3.339 9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.881 4.536 8.711 1.00 0.00 H new ATOM 685 N LEU A 51 11.626 1.564 4.243 1.00 0.00 N ATOM 686 CA LEU A 51 12.389 0.548 3.525 1.00 0.00 C ATOM 687 C LEU A 51 13.201 1.173 2.396 1.00 0.00 C ATOM 688 O LEU A 51 12.775 2.129 1.747 1.00 0.00 O ATOM 689 CB LEU A 51 11.449 -0.520 2.963 1.00 0.00 C ATOM 690 CG LEU A 51 10.425 -1.096 3.941 1.00 0.00 C ATOM 691 CD1 LEU A 51 9.175 -1.547 3.202 1.00 0.00 C ATOM 692 CD2 LEU A 51 11.028 -2.251 4.727 1.00 0.00 C ATOM 0 H LEU A 51 10.656 1.656 3.940 1.00 0.00 H new ATOM 0 HA LEU A 51 13.079 0.082 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.912 -0.093 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.054 -1.340 2.577 1.00 0.00 H new ATOM 0 HG LEU A 51 10.143 -0.312 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.458 -1.954 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.731 -0.696 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.439 -2.315 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.285 -2.648 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.340 -3.036 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.893 -1.897 5.288 1.00 0.00 H new ATOM 704 N PRO A 52 14.398 0.620 2.151 1.00 0.00 N ATOM 705 CA PRO A 52 15.294 1.105 1.097 1.00 0.00 C ATOM 706 C PRO A 52 14.761 0.806 -0.300 1.00 0.00 C ATOM 707 O PRO A 52 15.090 -0.222 -0.894 1.00 0.00 O ATOM 708 CB PRO A 52 16.591 0.334 1.352 1.00 0.00 C ATOM 709 CG PRO A 52 16.163 -0.908 2.054 1.00 0.00 C ATOM 710 CD PRO A 52 14.969 -0.522 2.884 1.00 0.00 C ATOM 0 HA PRO A 52 15.413 2.188 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.105 0.104 0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.283 0.915 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.906 -1.691 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.965 -1.298 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.256 -1.342 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.257 -0.245 3.898 1.00 0.00 H new ATOM 718 N LEU A 53 13.938 1.710 -0.820 1.00 0.00 N ATOM 719 CA LEU A 53 13.360 1.543 -2.149 1.00 0.00 C ATOM 720 C LEU A 53 12.935 2.887 -2.731 1.00 0.00 C ATOM 721 O LEU A 53 12.660 3.845 -2.008 1.00 0.00 O ATOM 722 CB LEU A 53 12.158 0.598 -2.088 1.00 0.00 C ATOM 723 CG LEU A 53 12.480 -0.888 -1.929 1.00 0.00 C ATOM 724 CD1 LEU A 53 11.208 -1.720 -1.994 1.00 0.00 C ATOM 725 CD2 LEU A 53 13.468 -1.337 -2.996 1.00 0.00 C ATOM 0 H LEU A 53 13.656 2.566 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 53 14.122 1.112 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.523 0.903 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.573 0.727 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 53 12.938 -1.038 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.457 -2.775 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.534 -1.417 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.721 -1.565 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.686 -2.397 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.037 -1.172 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.390 -0.763 -2.902 1.00 0.00 H new ATOM 737 N PRO A 54 12.879 2.962 -4.069 1.00 0.00 N ATOM 738 CA PRO A 54 12.486 4.183 -4.778 1.00 0.00 C ATOM 739 C PRO A 54 11.007 4.506 -4.600 1.00 0.00 C ATOM 740 O PRO A 54 10.144 3.630 -4.656 1.00 0.00 O ATOM 741 CB PRO A 54 12.790 3.857 -6.242 1.00 0.00 C ATOM 742 CG PRO A 54 12.714 2.371 -6.322 1.00 0.00 C ATOM 743 CD PRO A 54 13.194 1.859 -4.993 1.00 0.00 C ATOM 0 HA PRO A 54 13.015 5.060 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.069 4.327 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.776 4.219 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.694 2.043 -6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.335 1.992 -7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.684 0.939 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.262 1.640 -5.008 1.00 0.00 H new ATOM 751 N PRO A 55 10.704 5.795 -4.380 1.00 0.00 N ATOM 752 CA PRO A 55 9.328 6.263 -4.190 1.00 0.00 C ATOM 753 C PRO A 55 8.508 6.187 -5.473 1.00 0.00 C ATOM 754 O PRO A 55 8.856 6.802 -6.481 1.00 0.00 O ATOM 755 CB PRO A 55 9.506 7.720 -3.755 1.00 0.00 C ATOM 756 CG PRO A 55 10.822 8.127 -4.322 1.00 0.00 C ATOM 757 CD PRO A 55 11.681 6.893 -4.301 1.00 0.00 C ATOM 0 HA PRO A 55 8.785 5.652 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.700 8.348 -4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.497 7.813 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.709 8.507 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.271 8.925 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.376 6.873 -5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.278 6.835 -3.391 1.00 0.00 H new ATOM 765 N SER A 56 7.416 5.429 -5.429 1.00 0.00 N ATOM 766 CA SER A 56 6.548 5.271 -6.590 1.00 0.00 C ATOM 767 C SER A 56 5.115 4.972 -6.159 1.00 0.00 C ATOM 768 O SER A 56 4.867 4.367 -5.116 1.00 0.00 O ATOM 769 CB SER A 56 7.067 4.149 -7.492 1.00 0.00 C ATOM 770 OG SER A 56 7.948 4.655 -8.479 1.00 0.00 O ATOM 0 H SER A 56 7.112 4.915 -4.602 1.00 0.00 H new ATOM 0 HA SER A 56 6.553 6.207 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.582 3.402 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.227 3.647 -7.972 1.00 0.00 H new ATOM 0 HG SER A 56 8.423 5.435 -8.124 1.00 0.00 H new ATOM 776 N PRO A 57 4.149 5.405 -6.982 1.00 0.00 N ATOM 777 CA PRO A 57 2.724 5.195 -6.709 1.00 0.00 C ATOM 778 C PRO A 57 2.317 3.732 -6.843 1.00 0.00 C ATOM 779 O PRO A 57 1.171 3.368 -6.579 1.00 0.00 O ATOM 780 CB PRO A 57 2.029 6.043 -7.777 1.00 0.00 C ATOM 781 CG PRO A 57 3.015 6.132 -8.891 1.00 0.00 C ATOM 782 CD PRO A 57 4.372 6.133 -8.243 1.00 0.00 C ATOM 0 HA PRO A 57 2.460 5.471 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.099 5.580 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.774 7.031 -7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.909 5.289 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.861 7.038 -9.477 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.116 5.637 -8.867 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.731 7.146 -8.064 1.00 0.00 H new ATOM 790 N VAL A 58 3.264 2.894 -7.255 1.00 0.00 N ATOM 791 CA VAL A 58 3.005 1.469 -7.423 1.00 0.00 C ATOM 792 C VAL A 58 4.139 0.632 -6.842 1.00 0.00 C ATOM 793 O VAL A 58 5.312 0.866 -7.137 1.00 0.00 O ATOM 794 CB VAL A 58 2.819 1.104 -8.907 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.515 -0.379 -9.058 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.718 1.948 -9.530 1.00 0.00 C ATOM 0 H VAL A 58 4.218 3.178 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 58 2.083 1.249 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 58 3.749 1.316 -9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.387 -0.618 -10.114 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.341 -0.963 -8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.600 -0.620 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.601 1.676 -10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.781 1.771 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.982 3.003 -9.456 1.00 0.00 H new ATOM 806 N LEU A 59 3.782 -0.344 -6.015 1.00 0.00 N ATOM 807 CA LEU A 59 4.770 -1.218 -5.392 1.00 0.00 C ATOM 808 C LEU A 59 4.349 -2.680 -5.500 1.00 0.00 C ATOM 809 O LEU A 59 3.351 -3.094 -4.910 1.00 0.00 O ATOM 810 CB LEU A 59 4.962 -0.838 -3.923 1.00 0.00 C ATOM 811 CG LEU A 59 5.539 -1.927 -3.018 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.971 -2.249 -3.415 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.472 -1.499 -1.559 1.00 0.00 C ATOM 0 H LEU A 59 2.816 -0.550 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 59 5.715 -1.091 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.618 0.031 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.997 -0.531 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 59 4.939 -2.829 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.364 -3.026 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.992 -2.600 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.584 -1.353 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.887 -2.286 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.047 -0.583 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.434 -1.320 -1.280 1.00 0.00 H new ATOM 825 N ILE A 60 5.117 -3.458 -6.255 1.00 0.00 N ATOM 826 CA ILE A 60 4.825 -4.874 -6.438 1.00 0.00 C ATOM 827 C ILE A 60 5.731 -5.738 -5.566 1.00 0.00 C ATOM 828 O ILE A 60 6.935 -5.498 -5.473 1.00 0.00 O ATOM 829 CB ILE A 60 4.990 -5.298 -7.909 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.020 -4.519 -8.799 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.767 -6.796 -8.056 1.00 0.00 C ATOM 832 CD1 ILE A 60 4.542 -4.282 -10.199 1.00 0.00 C ATOM 0 H ILE A 60 5.947 -3.131 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 60 3.787 -5.024 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 60 6.007 -5.069 -8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.077 -5.063 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.804 -3.558 -8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.887 -7.081 -9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.494 -7.334 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.760 -7.048 -7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.802 -3.724 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.469 -3.711 -10.150 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.731 -5.240 -10.684 1.00 0.00 H new ATOM 844 N LEU A 61 5.144 -6.746 -4.931 1.00 0.00 N ATOM 845 CA LEU A 61 5.897 -7.649 -4.068 1.00 0.00 C ATOM 846 C LEU A 61 5.708 -9.100 -4.500 1.00 0.00 C ATOM 847 O LEU A 61 5.005 -9.878 -3.857 1.00 0.00 O ATOM 848 CB LEU A 61 5.460 -7.478 -2.612 1.00 0.00 C ATOM 849 CG LEU A 61 6.529 -7.753 -1.553 1.00 0.00 C ATOM 850 CD1 LEU A 61 7.726 -6.837 -1.753 1.00 0.00 C ATOM 851 CD2 LEU A 61 5.951 -7.582 -0.156 1.00 0.00 C ATOM 0 H LEU A 61 4.149 -6.959 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 61 6.954 -7.398 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.100 -6.458 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.615 -8.141 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 61 6.865 -8.784 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.476 -7.047 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.154 -7.008 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.407 -5.798 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.725 -7.781 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.587 -6.562 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.126 -8.280 -0.016 1.00 0.00 H new ATOM 863 N PRO A 62 6.353 -9.474 -5.615 1.00 0.00 N ATOM 864 CA PRO A 62 6.274 -10.834 -6.157 1.00 0.00 C ATOM 865 C PRO A 62 6.998 -11.850 -5.280 1.00 0.00 C ATOM 866 O PRO A 62 7.982 -11.522 -4.618 1.00 0.00 O ATOM 867 CB PRO A 62 6.965 -10.714 -7.518 1.00 0.00 C ATOM 868 CG PRO A 62 7.889 -9.555 -7.373 1.00 0.00 C ATOM 869 CD PRO A 62 7.210 -8.598 -6.432 1.00 0.00 C ATOM 0 HA PRO A 62 5.246 -11.191 -6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.509 -11.625 -7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.242 -10.546 -8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.854 -9.872 -6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.079 -9.085 -8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.931 -8.057 -5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.625 -7.852 -6.970 1.00 0.00 H new ATOM 877 N GLU A 63 6.503 -13.084 -5.281 1.00 0.00 N ATOM 878 CA GLU A 63 7.104 -14.147 -4.484 1.00 0.00 C ATOM 879 C GLU A 63 7.041 -13.814 -2.996 1.00 0.00 C ATOM 880 O GLU A 63 8.062 -13.807 -2.308 1.00 0.00 O ATOM 881 CB GLU A 63 8.557 -14.372 -4.907 1.00 0.00 C ATOM 882 CG GLU A 63 8.701 -15.187 -6.181 1.00 0.00 C ATOM 883 CD GLU A 63 8.563 -14.341 -7.433 1.00 0.00 C ATOM 884 OE1 GLU A 63 9.547 -13.669 -7.807 1.00 0.00 O ATOM 885 OE2 GLU A 63 7.471 -14.352 -8.038 1.00 0.00 O ATOM 0 H GLU A 63 5.689 -13.372 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 63 6.537 -15.061 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.039 -13.405 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.087 -14.878 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.673 -15.679 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.946 -15.973 -6.193 1.00 0.00 H new ATOM 892 N ILE A 64 5.837 -13.539 -2.508 1.00 0.00 N ATOM 893 CA ILE A 64 5.641 -13.206 -1.103 1.00 0.00 C ATOM 894 C ILE A 64 5.779 -14.442 -0.220 1.00 0.00 C ATOM 895 O ILE A 64 5.465 -15.555 -0.639 1.00 0.00 O ATOM 896 CB ILE A 64 4.259 -12.570 -0.863 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.325 -11.056 -1.079 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.765 -12.888 0.541 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.984 -10.431 -1.391 1.00 0.00 C ATOM 0 H ILE A 64 4.982 -13.540 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 64 6.415 -12.485 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 64 3.554 -12.991 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.736 -10.587 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.015 -10.843 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.787 -12.431 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.684 -13.968 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.469 -12.492 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.107 -9.357 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.580 -10.872 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.297 -10.612 -0.564 1.00 0.00 H new ATOM 911 N GLY A 65 6.250 -14.237 1.006 1.00 0.00 N ATOM 912 CA GLY A 65 6.420 -15.343 1.930 1.00 0.00 C ATOM 913 C GLY A 65 5.895 -15.027 3.316 1.00 0.00 C ATOM 914 O GLY A 65 5.155 -14.064 3.519 1.00 0.00 O ATOM 0 H GLY A 65 6.517 -13.325 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.903 -16.220 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.478 -15.599 1.995 1.00 0.00 H new ATOM 918 N PRO A 66 6.278 -15.852 4.301 1.00 0.00 N ATOM 919 CA PRO A 66 5.852 -15.677 5.693 1.00 0.00 C ATOM 920 C PRO A 66 6.483 -14.450 6.342 1.00 0.00 C ATOM 921 O PRO A 66 5.903 -13.848 7.246 1.00 0.00 O ATOM 922 CB PRO A 66 6.341 -16.956 6.378 1.00 0.00 C ATOM 923 CG PRO A 66 7.487 -17.416 5.546 1.00 0.00 C ATOM 924 CD PRO A 66 7.159 -17.021 4.133 1.00 0.00 C ATOM 0 HA PRO A 66 4.776 -15.519 5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.650 -16.762 7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.554 -17.709 6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.418 -16.953 5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.621 -18.495 5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.056 -16.770 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.659 -17.827 3.596 1.00 0.00 H new ATOM 932 N GLN A 67 7.673 -14.085 5.876 1.00 0.00 N ATOM 933 CA GLN A 67 8.382 -12.930 6.412 1.00 0.00 C ATOM 934 C GLN A 67 7.761 -11.630 5.912 1.00 0.00 C ATOM 935 O GLN A 67 7.684 -10.644 6.645 1.00 0.00 O ATOM 936 CB GLN A 67 9.860 -12.986 6.024 1.00 0.00 C ATOM 937 CG GLN A 67 10.570 -14.239 6.511 1.00 0.00 C ATOM 938 CD GLN A 67 11.088 -14.102 7.929 1.00 0.00 C ATOM 939 OE1 GLN A 67 11.068 -13.015 8.507 1.00 0.00 O ATOM 940 NE2 GLN A 67 11.556 -15.207 8.498 1.00 0.00 N ATOM 0 H GLN A 67 8.166 -14.573 5.128 1.00 0.00 H new ATOM 0 HA GLN A 67 8.299 -12.957 7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.945 -12.929 4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.367 -12.110 6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.884 -15.084 6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.403 -14.463 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.553 -16.087 7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.918 -15.176 9.451 1.00 0.00 H new ATOM 949 N ASP A 68 7.321 -11.634 4.658 1.00 0.00 N ATOM 950 CA ASP A 68 6.707 -10.455 4.059 1.00 0.00 C ATOM 951 C ASP A 68 5.467 -10.032 4.841 1.00 0.00 C ATOM 952 O ASP A 68 5.132 -8.849 4.898 1.00 0.00 O ATOM 953 CB ASP A 68 6.336 -10.732 2.601 1.00 0.00 C ATOM 954 CG ASP A 68 7.553 -10.848 1.706 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.463 -10.001 1.830 1.00 0.00 O ATOM 956 OD2 ASP A 68 7.597 -11.784 0.880 1.00 0.00 O ATOM 0 H ASP A 68 7.378 -12.441 4.037 1.00 0.00 H new ATOM 0 HA ASP A 68 7.431 -9.641 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.758 -11.655 2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.694 -9.931 2.234 1.00 0.00 H new ATOM 961 N GLN A 69 4.790 -11.006 5.440 1.00 0.00 N ATOM 962 CA GLN A 69 3.587 -10.734 6.217 1.00 0.00 C ATOM 963 C GLN A 69 3.821 -9.595 7.203 1.00 0.00 C ATOM 964 O GLN A 69 4.716 -9.664 8.045 1.00 0.00 O ATOM 965 CB GLN A 69 3.143 -11.991 6.967 1.00 0.00 C ATOM 966 CG GLN A 69 2.434 -13.007 6.086 1.00 0.00 C ATOM 967 CD GLN A 69 2.014 -14.248 6.849 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.850 -14.650 6.812 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.962 -14.864 7.546 1.00 0.00 N ATOM 0 H GLN A 69 5.054 -11.990 5.402 1.00 0.00 H new ATOM 0 HA GLN A 69 2.799 -10.435 5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.016 -12.461 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.479 -11.702 7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.554 -12.544 5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.093 -13.294 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.913 -14.496 7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.739 -15.705 8.079 1.00 0.00 H new ATOM 978 N GLY A 70 3.011 -8.546 7.093 1.00 0.00 N ATOM 979 CA GLY A 70 3.148 -7.407 7.981 1.00 0.00 C ATOM 980 C GLY A 70 2.241 -6.256 7.591 1.00 0.00 C ATOM 981 O GLY A 70 1.188 -6.462 6.988 1.00 0.00 O ATOM 0 H GLY A 70 2.263 -8.465 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.920 -7.716 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.184 -7.068 7.975 1.00 0.00 H new ATOM 985 N THR A 71 2.650 -5.039 7.938 1.00 0.00 N ATOM 986 CA THR A 71 1.866 -3.852 7.623 1.00 0.00 C ATOM 987 C THR A 71 2.498 -3.062 6.483 1.00 0.00 C ATOM 988 O THR A 71 3.710 -2.845 6.462 1.00 0.00 O ATOM 989 CB THR A 71 1.722 -2.932 8.851 1.00 0.00 C ATOM 990 OG1 THR A 71 2.876 -3.051 9.690 1.00 0.00 O ATOM 991 CG2 THR A 71 0.473 -3.282 9.645 1.00 0.00 C ATOM 0 H THR A 71 3.519 -4.850 8.437 1.00 0.00 H new ATOM 0 HA THR A 71 0.878 -4.198 7.318 1.00 0.00 H new ATOM 0 HB THR A 71 1.634 -1.904 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.659 -2.733 10.591 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.392 -2.620 10.507 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.406 -3.162 9.012 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.536 -4.315 9.986 1.00 0.00 H new ATOM 999 N TYR A 72 1.671 -2.635 5.535 1.00 0.00 N ATOM 1000 CA TYR A 72 2.149 -1.871 4.390 1.00 0.00 C ATOM 1001 C TYR A 72 1.218 -0.701 4.087 1.00 0.00 C ATOM 1002 O TYR A 72 0.024 -0.889 3.853 1.00 0.00 O ATOM 1003 CB TYR A 72 2.268 -2.774 3.161 1.00 0.00 C ATOM 1004 CG TYR A 72 3.387 -3.786 3.260 1.00 0.00 C ATOM 1005 CD1 TYR A 72 3.204 -4.990 3.929 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.626 -3.539 2.683 1.00 0.00 C ATOM 1007 CE1 TYR A 72 4.223 -5.918 4.022 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.651 -4.462 2.770 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.445 -5.649 3.440 1.00 0.00 C ATOM 1010 OH TYR A 72 6.463 -6.571 3.530 1.00 0.00 O ATOM 0 H TYR A 72 0.665 -2.806 5.538 1.00 0.00 H new ATOM 0 HA TYR A 72 3.133 -1.473 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.325 -3.301 3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.427 -2.154 2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.248 -5.204 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.791 -2.610 2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.064 -6.848 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.608 -4.254 2.315 1.00 0.00 H new ATOM 0 HH TYR A 72 6.121 -7.397 3.931 1.00 0.00 H new ATOM 1020 N SER A 73 1.773 0.506 4.094 1.00 0.00 N ATOM 1021 CA SER A 73 0.992 1.708 3.824 1.00 0.00 C ATOM 1022 C SER A 73 1.799 2.705 2.997 1.00 0.00 C ATOM 1023 O SER A 73 3.030 2.705 3.030 1.00 0.00 O ATOM 1024 CB SER A 73 0.547 2.358 5.135 1.00 0.00 C ATOM 1025 OG SER A 73 0.082 3.679 4.917 1.00 0.00 O ATOM 0 H SER A 73 2.760 0.678 4.284 1.00 0.00 H new ATOM 0 HA SER A 73 0.110 1.418 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.243 1.761 5.590 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.380 2.374 5.838 1.00 0.00 H new ATOM 0 HG SER A 73 -0.790 3.795 5.350 1.00 0.00 H new ATOM 1031 N CYS A 74 1.096 3.555 2.256 1.00 0.00 N ATOM 1032 CA CYS A 74 1.744 4.558 1.420 1.00 0.00 C ATOM 1033 C CYS A 74 1.791 5.909 2.128 1.00 0.00 C ATOM 1034 O CYS A 74 0.845 6.295 2.815 1.00 0.00 O ATOM 1035 CB CYS A 74 1.006 4.694 0.086 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.808 4.605 0.227 1.00 0.00 S ATOM 0 H CYS A 74 0.077 3.569 2.218 1.00 0.00 H new ATOM 0 HA CYS A 74 2.767 4.231 1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.278 5.645 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.346 3.907 -0.587 1.00 0.00 H new ATOM 1041 N VAL A 75 2.898 6.624 1.954 1.00 0.00 N ATOM 1042 CA VAL A 75 3.068 7.932 2.574 1.00 0.00 C ATOM 1043 C VAL A 75 3.213 9.025 1.521 1.00 0.00 C ATOM 1044 O VAL A 75 4.285 9.209 0.946 1.00 0.00 O ATOM 1045 CB VAL A 75 4.300 7.959 3.499 1.00 0.00 C ATOM 1046 CG1 VAL A 75 4.521 9.358 4.053 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.142 6.949 4.625 1.00 0.00 C ATOM 0 H VAL A 75 3.690 6.319 1.389 1.00 0.00 H new ATOM 0 HA VAL A 75 2.173 8.120 3.167 1.00 0.00 H new ATOM 0 HB VAL A 75 5.178 7.683 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.395 9.358 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.682 10.054 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.644 9.666 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.021 6.981 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.255 7.192 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.037 5.949 4.205 1.00 0.00 H new ATOM 1057 N ALA A 76 2.126 9.749 1.274 1.00 0.00 N ATOM 1058 CA ALA A 76 2.132 10.826 0.292 1.00 0.00 C ATOM 1059 C ALA A 76 2.323 12.181 0.965 1.00 0.00 C ATOM 1060 O ALA A 76 1.548 12.567 1.840 1.00 0.00 O ATOM 1061 CB ALA A 76 0.843 10.812 -0.515 1.00 0.00 C ATOM 0 H ALA A 76 1.230 9.609 1.741 1.00 0.00 H new ATOM 0 HA ALA A 76 2.972 10.664 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.862 11.622 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.749 9.858 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.007 10.946 0.154 1.00 0.00 H new ATOM 1177 N GLU A 85 -0.432 9.559 5.416 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.247 8.114 5.370 1.00 0.00 C ATOM 1179 C GLU A 85 -1.588 7.396 5.251 1.00 0.00 C ATOM 1180 O GLU A 85 -2.422 7.462 6.154 1.00 0.00 O ATOM 1181 CB GLU A 85 0.492 7.632 6.620 1.00 0.00 C ATOM 1182 CG GLU A 85 1.155 6.275 6.451 1.00 0.00 C ATOM 1183 CD GLU A 85 2.086 5.934 7.598 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.739 6.856 8.127 1.00 0.00 O ATOM 1185 OE2 GLU A 85 2.161 4.742 7.966 1.00 0.00 O ATOM 0 HA GLU A 85 0.351 7.879 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.251 8.367 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.212 7.582 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.386 5.507 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.716 6.263 5.517 1.00 0.00 H new ATOM 1192 N SER A 86 -1.789 6.712 4.129 1.00 0.00 N ATOM 1193 CA SER A 86 -3.031 5.986 3.888 1.00 0.00 C ATOM 1194 C SER A 86 -3.269 4.943 4.975 1.00 0.00 C ATOM 1195 O SER A 86 -2.480 4.814 5.911 1.00 0.00 O ATOM 1196 CB SER A 86 -2.993 5.311 2.516 1.00 0.00 C ATOM 1197 OG SER A 86 -4.301 5.122 2.005 1.00 0.00 O ATOM 0 H SER A 86 -1.108 6.645 3.373 1.00 0.00 H new ATOM 0 HA SER A 86 -3.853 6.702 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.413 5.921 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.487 4.349 2.594 1.00 0.00 H new ATOM 0 HG SER A 86 -4.278 5.157 1.026 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.363 4.199 4.843 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.707 3.167 5.814 1.00 0.00 C ATOM 1205 C ARG A 87 -3.619 2.100 5.881 1.00 0.00 C ATOM 1206 O ARG A 87 -2.676 2.109 5.091 1.00 0.00 O ATOM 1207 CB ARG A 87 -6.047 2.524 5.453 1.00 0.00 C ATOM 1208 CG ARG A 87 -7.252 3.309 5.944 1.00 0.00 C ATOM 1209 CD ARG A 87 -8.527 2.871 5.239 1.00 0.00 C ATOM 1210 NE ARG A 87 -9.567 3.894 5.305 1.00 0.00 N ATOM 1211 CZ ARG A 87 -10.776 3.747 4.775 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -11.095 2.626 4.144 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -11.669 4.723 4.876 1.00 0.00 N ATOM 0 H ARG A 87 -5.026 4.292 4.073 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.790 3.638 6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.110 2.419 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.083 1.519 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.364 3.171 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.088 4.373 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.306 2.646 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.894 1.951 5.693 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.353 4.769 5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.411 1.873 4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.024 2.516 3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.427 5.587 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.597 4.609 4.469 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.757 1.180 6.831 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.788 0.105 7.001 1.00 0.00 C ATOM 1229 C ALA A 88 -3.266 -1.177 6.329 1.00 0.00 C ATOM 1230 O ALA A 88 -4.378 -1.643 6.579 1.00 0.00 O ATOM 1231 CB ALA A 88 -2.523 -0.138 8.479 1.00 0.00 C ATOM 0 H ALA A 88 -4.531 1.158 7.495 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.857 0.409 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.797 -0.944 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.128 0.771 8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.453 -0.416 8.974 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.420 -1.743 5.474 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.757 -2.973 4.766 1.00 0.00 C ATOM 1239 C VAL A 89 -1.991 -4.162 5.334 1.00 0.00 C ATOM 1240 O VAL A 89 -0.765 -4.225 5.241 1.00 0.00 O ATOM 1241 CB VAL A 89 -2.456 -2.854 3.261 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -2.899 -4.110 2.526 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.130 -1.620 2.679 1.00 0.00 C ATOM 0 H VAL A 89 -1.496 -1.370 5.255 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.826 -3.135 4.904 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.379 -2.747 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.678 -4.007 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.366 -4.973 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.971 -4.252 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.907 -1.551 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.208 -1.694 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.758 -0.729 3.186 1.00 0.00 H new ATOM 1253 N SER A 90 -2.722 -5.103 5.923 1.00 0.00 N ATOM 1254 CA SER A 90 -2.111 -6.290 6.510 1.00 0.00 C ATOM 1255 C SER A 90 -2.042 -7.425 5.493 1.00 0.00 C ATOM 1256 O SER A 90 -3.027 -8.129 5.265 1.00 0.00 O ATOM 1257 CB SER A 90 -2.899 -6.740 7.741 1.00 0.00 C ATOM 1258 OG SER A 90 -4.208 -7.151 7.386 1.00 0.00 O ATOM 0 H SER A 90 -3.738 -5.067 6.006 1.00 0.00 H new ATOM 0 HA SER A 90 -1.095 -6.034 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.377 -7.562 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.953 -5.923 8.461 1.00 0.00 H new ATOM 0 HG SER A 90 -4.194 -7.549 6.490 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.873 -7.597 4.885 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.675 -8.646 3.893 1.00 0.00 C ATOM 1266 C ILE A 91 -0.438 -9.996 4.561 1.00 0.00 C ATOM 1267 O ILE A 91 0.667 -10.288 5.019 1.00 0.00 O ATOM 1268 CB ILE A 91 0.513 -8.328 2.966 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.239 -7.051 2.169 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.782 -9.497 2.030 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -0.908 -7.184 1.192 1.00 0.00 C ATOM 0 H ILE A 91 -0.049 -7.023 5.062 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.587 -8.693 3.297 1.00 0.00 H new ATOM 0 HB ILE A 91 1.400 -8.167 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.023 -6.239 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.140 -6.772 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.624 -9.257 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.017 -10.386 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.102 -9.687 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.046 -6.242 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.685 -7.974 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.821 -7.432 1.734 1.00 0.00 H new ATOM 1283 N SER A 92 -1.482 -10.817 4.611 1.00 0.00 N ATOM 1284 CA SER A 92 -1.387 -12.137 5.225 1.00 0.00 C ATOM 1285 C SER A 92 -1.347 -13.229 4.161 1.00 0.00 C ATOM 1286 O SER A 92 -1.677 -12.991 2.999 1.00 0.00 O ATOM 1287 CB SER A 92 -2.570 -12.370 6.167 1.00 0.00 C ATOM 1288 OG SER A 92 -2.397 -11.670 7.386 1.00 0.00 O ATOM 0 H SER A 92 -2.403 -10.592 4.234 1.00 0.00 H new ATOM 0 HA SER A 92 -0.461 -12.179 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.492 -12.045 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.674 -13.436 6.368 1.00 0.00 H new ATOM 0 HG SER A 92 -3.167 -11.834 7.970 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.940 -14.427 4.567 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.857 -15.557 3.650 1.00 0.00 C ATOM 1296 C ILE A 93 -2.097 -16.439 3.750 1.00 0.00 C ATOM 1297 O ILE A 93 -2.618 -16.673 4.841 1.00 0.00 O ATOM 1298 CB ILE A 93 0.392 -16.415 3.925 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.652 -15.547 3.888 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.492 -17.545 2.912 1.00 0.00 C ATOM 1301 CD1 ILE A 93 2.892 -16.260 4.380 1.00 0.00 C ATOM 0 H ILE A 93 -0.663 -14.640 5.525 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.789 -15.142 2.644 1.00 0.00 H new ATOM 0 HB ILE A 93 0.303 -16.852 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.820 -15.207 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.489 -14.658 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.380 -18.142 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.394 -18.176 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.562 -17.128 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.746 -15.585 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.744 -16.576 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.081 -17.134 3.757 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.564 -16.925 2.605 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.741 -17.784 2.564 1.00 0.00 C ATOM 1315 C ILE A 94 -3.347 -19.256 2.540 1.00 0.00 C ATOM 1316 O ILE A 94 -2.377 -19.638 1.886 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.619 -17.478 1.336 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -5.008 -15.999 1.315 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.859 -18.358 1.338 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.644 -15.559 0.015 1.00 0.00 C ATOM 0 H ILE A 94 -2.146 -16.739 1.694 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.313 -17.579 3.469 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.045 -17.696 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.700 -15.802 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.119 -15.395 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.469 -18.129 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.561 -19.406 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.437 -18.170 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.894 -14.500 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.946 -15.723 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.552 -16.137 -0.160 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.108 -20.079 3.256 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.838 -21.511 3.315 1.00 0.00 C ATOM 1334 C GLU A 95 -4.552 -22.246 2.184 1.00 0.00 C ATOM 1335 O GLU A 95 -5.667 -21.902 1.792 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.278 -22.080 4.665 1.00 0.00 C ATOM 1337 CG GLU A 95 -5.708 -21.726 5.038 1.00 0.00 C ATOM 1338 CD GLU A 95 -6.177 -22.440 6.291 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -5.856 -21.965 7.401 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -6.866 -23.474 6.162 1.00 0.00 O ATOM 0 H GLU A 95 -4.915 -19.779 3.802 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.764 -21.657 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.175 -23.165 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.607 -21.712 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.785 -20.649 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.369 -21.981 4.210 1.00 0.00 H new