USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 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 Set 1.1: A 67 MET CE :methyl -120:sc= -1.44 (180deg=-5.41!) USER MOD Set 1.2: A 70 SER OG : rot -83:sc= 0.0843 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-3.2!) USER MOD Single : A 33 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 36 GLN :FLIP amide:sc= -3.97! C(o=-5.5!,f=-4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-10!) USER MOD Single : A 66 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.42) USER MOD Single : A 68 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.003) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.795 X(o=-0.8,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.802 0.411 4.204 1.00 0.00 N ATOM 144 CA ARG A 6 -18.320 0.401 2.829 1.00 0.00 C ATOM 145 C ARG A 6 -16.799 0.520 2.784 1.00 0.00 C ATOM 146 O ARG A 6 -16.139 -0.131 1.975 1.00 0.00 O ATOM 147 CB ARG A 6 -18.955 1.545 2.035 1.00 0.00 C ATOM 148 CG ARG A 6 -20.342 1.222 1.505 1.00 0.00 C ATOM 149 CD ARG A 6 -21.126 2.486 1.190 1.00 0.00 C ATOM 150 NE ARG A 6 -22.365 2.197 0.473 1.00 0.00 N ATOM 151 CZ ARG A 6 -23.112 3.128 -0.110 1.00 0.00 C ATOM 152 NH1 ARG A 6 -22.746 4.402 -0.061 1.00 0.00 N ATOM 153 NH2 ARG A 6 -24.227 2.787 -0.743 1.00 0.00 N ATOM 0 HA ARG A 6 -18.606 -0.549 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -19.015 2.428 2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.305 1.799 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.256 0.612 0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.885 0.630 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.358 3.010 2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.509 3.156 0.592 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.674 1.227 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -21.890 4.668 0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -23.321 5.115 -0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.512 1.808 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -24.799 3.503 -1.190 1.00 0.00 H new ATOM 167 N VAL A 7 -16.250 1.356 3.660 1.00 0.00 N ATOM 168 CA VAL A 7 -14.808 1.559 3.722 1.00 0.00 C ATOM 169 C VAL A 7 -14.133 0.465 4.541 1.00 0.00 C ATOM 170 O VAL A 7 -14.393 0.319 5.737 1.00 0.00 O ATOM 171 CB VAL A 7 -14.460 2.930 4.332 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.969 3.206 4.211 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.270 4.031 3.664 1.00 0.00 C ATOM 0 H VAL A 7 -16.782 1.903 4.336 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.439 1.521 2.697 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.717 2.913 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.742 4.179 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.412 2.433 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.683 3.205 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.012 4.993 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.046 4.051 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.333 3.839 3.808 1.00 0.00 H new ATOM 183 N LEU A 8 -13.265 -0.302 3.892 1.00 0.00 N ATOM 184 CA LEU A 8 -12.551 -1.385 4.560 1.00 0.00 C ATOM 185 C LEU A 8 -11.135 -0.954 4.933 1.00 0.00 C ATOM 186 O LEU A 8 -10.508 -0.166 4.224 1.00 0.00 O ATOM 187 CB LEU A 8 -12.500 -2.621 3.660 1.00 0.00 C ATOM 188 CG LEU A 8 -13.823 -3.036 3.015 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.627 -4.263 2.139 1.00 0.00 C ATOM 190 CD2 LEU A 8 -14.876 -3.301 4.081 1.00 0.00 C ATOM 0 H LEU A 8 -13.038 -0.194 2.903 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.089 -1.632 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.774 -2.439 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.127 -3.459 4.248 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.171 -2.217 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.579 -4.544 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.906 -4.038 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.256 -5.088 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.811 -3.595 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.536 -4.102 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.037 -2.396 4.667 1.00 0.00 H new ATOM 202 N TYR A 9 -10.637 -1.479 6.047 1.00 0.00 N ATOM 203 CA TYR A 9 -9.296 -1.149 6.514 1.00 0.00 C ATOM 204 C TYR A 9 -8.346 -2.328 6.319 1.00 0.00 C ATOM 205 O TYR A 9 -8.596 -3.428 6.811 1.00 0.00 O ATOM 206 CB TYR A 9 -9.331 -0.746 7.989 1.00 0.00 C ATOM 207 CG TYR A 9 -7.974 -0.771 8.656 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.414 -1.965 9.092 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.252 0.400 8.849 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.176 -1.992 9.703 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.012 0.383 9.458 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.478 -0.816 9.883 1.00 0.00 C ATOM 213 OH TYR A 9 -4.243 -0.839 10.490 1.00 0.00 O ATOM 0 H TYR A 9 -11.142 -2.135 6.643 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.930 -0.309 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.749 0.257 8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.002 -1.417 8.525 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.956 -2.888 8.951 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.667 1.340 8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.756 -2.929 10.038 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.464 1.303 9.600 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.885 0.072 10.539 1.00 0.00 H new ATOM 223 N VAL A 10 -7.255 -2.088 5.599 1.00 0.00 N ATOM 224 CA VAL A 10 -6.266 -3.127 5.340 1.00 0.00 C ATOM 225 C VAL A 10 -4.969 -2.850 6.090 1.00 0.00 C ATOM 226 O VAL A 10 -4.438 -1.741 6.045 1.00 0.00 O ATOM 227 CB VAL A 10 -5.960 -3.248 3.835 1.00 0.00 C ATOM 228 CG1 VAL A 10 -4.946 -4.353 3.584 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.239 -3.499 3.051 1.00 0.00 C ATOM 0 H VAL A 10 -7.034 -1.183 5.185 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.693 -4.066 5.693 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.529 -2.307 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.742 -4.424 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.022 -4.126 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.346 -5.302 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.005 -3.582 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.700 -4.425 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.930 -2.670 3.206 1.00 0.00 H new ATOM 239 N GLY A 11 -4.462 -3.867 6.781 1.00 0.00 N ATOM 240 CA GLY A 11 -3.229 -3.712 7.532 1.00 0.00 C ATOM 241 C GLY A 11 -2.248 -4.838 7.272 1.00 0.00 C ATOM 242 O GLY A 11 -2.622 -5.891 6.758 1.00 0.00 O ATOM 0 H GLY A 11 -4.883 -4.795 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.764 -2.761 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.458 -3.672 8.597 1.00 0.00 H new ATOM 246 N GLY A 12 -0.986 -4.615 7.629 1.00 0.00 N ATOM 247 CA GLY A 12 0.033 -5.628 7.422 1.00 0.00 C ATOM 248 C GLY A 12 0.390 -5.801 5.959 1.00 0.00 C ATOM 249 O GLY A 12 0.679 -6.911 5.510 1.00 0.00 O ATOM 0 H GLY A 12 -0.652 -3.752 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.928 -5.358 7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.318 -6.579 7.822 1.00 0.00 H new ATOM 253 N LEU A 13 0.367 -4.703 5.212 1.00 0.00 N ATOM 254 CA LEU A 13 0.690 -4.738 3.790 1.00 0.00 C ATOM 255 C LEU A 13 2.199 -4.770 3.574 1.00 0.00 C ATOM 256 O LEU A 13 2.973 -4.735 4.530 1.00 0.00 O ATOM 257 CB LEU A 13 0.087 -3.524 3.080 1.00 0.00 C ATOM 258 CG LEU A 13 -1.438 -3.499 2.970 1.00 0.00 C ATOM 259 CD1 LEU A 13 -1.912 -2.164 2.418 1.00 0.00 C ATOM 260 CD2 LEU A 13 -1.927 -4.644 2.094 1.00 0.00 C ATOM 0 H LEU A 13 0.128 -3.777 5.567 1.00 0.00 H new ATOM 0 HA LEU A 13 0.263 -5.648 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.408 -2.625 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.505 -3.472 2.075 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.858 -3.625 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.000 -2.165 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.593 -1.361 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.484 -2.007 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.014 -4.612 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.498 -4.548 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.619 -5.594 2.531 1.00 0.00 H new ATOM 272 N ALA A 14 2.610 -4.834 2.312 1.00 0.00 N ATOM 273 CA ALA A 14 4.027 -4.866 1.970 1.00 0.00 C ATOM 274 C ALA A 14 4.509 -3.498 1.501 1.00 0.00 C ATOM 275 O ALA A 14 3.715 -2.573 1.334 1.00 0.00 O ATOM 276 CB ALA A 14 4.288 -5.916 0.901 1.00 0.00 C ATOM 0 H ALA A 14 1.982 -4.865 1.509 1.00 0.00 H new ATOM 0 HA ALA A 14 4.587 -5.131 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.350 -5.929 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.990 -6.896 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.712 -5.676 0.007 1.00 0.00 H new ATOM 282 N GLU A 15 5.816 -3.377 1.289 1.00 0.00 N ATOM 283 CA GLU A 15 6.403 -2.120 0.840 1.00 0.00 C ATOM 284 C GLU A 15 6.177 -1.918 -0.656 1.00 0.00 C ATOM 285 O GLU A 15 6.393 -0.828 -1.184 1.00 0.00 O ATOM 286 CB GLU A 15 7.902 -2.093 1.148 1.00 0.00 C ATOM 287 CG GLU A 15 8.717 -3.049 0.295 1.00 0.00 C ATOM 288 CD GLU A 15 8.749 -4.455 0.863 1.00 0.00 C ATOM 289 OE1 GLU A 15 9.198 -4.619 2.016 1.00 0.00 O ATOM 290 OE2 GLU A 15 8.325 -5.391 0.153 1.00 0.00 O ATOM 0 H GLU A 15 6.488 -4.133 1.421 1.00 0.00 H new ATOM 0 HA GLU A 15 5.914 -1.308 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.276 -1.080 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.053 -2.339 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.300 -3.077 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.736 -2.673 0.208 1.00 0.00 H new ATOM 297 N GLU A 16 5.742 -2.977 -1.331 1.00 0.00 N ATOM 298 CA GLU A 16 5.488 -2.916 -2.766 1.00 0.00 C ATOM 299 C GLU A 16 3.999 -2.741 -3.048 1.00 0.00 C ATOM 300 O GLU A 16 3.606 -2.325 -4.138 1.00 0.00 O ATOM 301 CB GLU A 16 6.003 -4.183 -3.452 1.00 0.00 C ATOM 302 CG GLU A 16 5.954 -4.116 -4.969 1.00 0.00 C ATOM 303 CD GLU A 16 6.918 -5.085 -5.626 1.00 0.00 C ATOM 304 OE1 GLU A 16 7.999 -5.329 -5.051 1.00 0.00 O ATOM 305 OE2 GLU A 16 6.591 -5.598 -6.717 1.00 0.00 O ATOM 0 H GLU A 16 5.558 -3.887 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 16 6.020 -2.053 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.031 -4.364 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.412 -5.035 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.940 -4.333 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.187 -3.102 -5.292 1.00 0.00 H new ATOM 312 N VAL A 17 3.173 -3.062 -2.056 1.00 0.00 N ATOM 313 CA VAL A 17 1.727 -2.940 -2.196 1.00 0.00 C ATOM 314 C VAL A 17 1.281 -1.489 -2.055 1.00 0.00 C ATOM 315 O VAL A 17 1.759 -0.764 -1.182 1.00 0.00 O ATOM 316 CB VAL A 17 0.988 -3.796 -1.151 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.480 -3.403 -1.080 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.137 -5.276 -1.473 1.00 0.00 C ATOM 0 H VAL A 17 3.481 -3.408 -1.147 1.00 0.00 H new ATOM 0 HA VAL A 17 1.475 -3.299 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 17 1.436 -3.613 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.986 -4.019 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.562 -2.353 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.945 -3.555 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.609 -5.866 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.716 -5.478 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.193 -5.545 -1.468 1.00 0.00 H new ATOM 328 N ASP A 18 0.363 -1.071 -2.920 1.00 0.00 N ATOM 329 CA ASP A 18 -0.149 0.294 -2.891 1.00 0.00 C ATOM 330 C ASP A 18 -1.552 0.361 -3.488 1.00 0.00 C ATOM 331 O ASP A 18 -2.062 -0.630 -4.011 1.00 0.00 O ATOM 332 CB ASP A 18 0.789 1.230 -3.654 1.00 0.00 C ATOM 333 CG ASP A 18 1.505 0.529 -4.793 1.00 0.00 C ATOM 334 OD1 ASP A 18 0.847 0.227 -5.810 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.723 0.283 -4.666 1.00 0.00 O ATOM 0 H ASP A 18 -0.042 -1.658 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.201 0.614 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.217 2.069 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.526 1.643 -2.965 1.00 0.00 H new ATOM 340 N ASP A 19 -2.168 1.535 -3.406 1.00 0.00 N ATOM 341 CA ASP A 19 -3.512 1.731 -3.939 1.00 0.00 C ATOM 342 C ASP A 19 -3.714 0.922 -5.216 1.00 0.00 C ATOM 343 O ASP A 19 -4.783 0.356 -5.443 1.00 0.00 O ATOM 344 CB ASP A 19 -3.762 3.215 -4.214 1.00 0.00 C ATOM 345 CG ASP A 19 -3.340 3.623 -5.611 1.00 0.00 C ATOM 346 OD1 ASP A 19 -2.124 3.593 -5.897 1.00 0.00 O ATOM 347 OD2 ASP A 19 -4.225 3.972 -6.420 1.00 0.00 O ATOM 0 H ASP A 19 -1.759 2.365 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.227 1.382 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.821 3.433 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.218 3.814 -3.484 1.00 0.00 H new ATOM 352 N LYS A 20 -2.679 0.873 -6.049 1.00 0.00 N ATOM 353 CA LYS A 20 -2.742 0.135 -7.304 1.00 0.00 C ATOM 354 C LYS A 20 -2.927 -1.358 -7.049 1.00 0.00 C ATOM 355 O LYS A 20 -3.908 -1.956 -7.490 1.00 0.00 O ATOM 356 CB LYS A 20 -1.469 0.369 -8.121 1.00 0.00 C ATOM 357 CG LYS A 20 -1.337 1.787 -8.648 1.00 0.00 C ATOM 358 CD LYS A 20 0.094 2.101 -9.053 1.00 0.00 C ATOM 359 CE LYS A 20 0.389 1.628 -10.468 1.00 0.00 C ATOM 360 NZ LYS A 20 1.846 1.411 -10.687 1.00 0.00 N ATOM 0 H LYS A 20 -1.787 1.336 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.601 0.499 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.602 0.138 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.454 -0.325 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.996 1.920 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.663 2.492 -7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.265 3.175 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.783 1.623 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.149 0.700 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.020 2.365 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.006 1.089 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.358 2.302 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.193 0.690 -10.023 1.00 0.00 H new ATOM 374 N VAL A 21 -1.979 -1.953 -6.332 1.00 0.00 N ATOM 375 CA VAL A 21 -2.039 -3.375 -6.015 1.00 0.00 C ATOM 376 C VAL A 21 -3.325 -3.718 -5.272 1.00 0.00 C ATOM 377 O VAL A 21 -3.995 -4.702 -5.590 1.00 0.00 O ATOM 378 CB VAL A 21 -0.833 -3.812 -5.162 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.866 -5.313 -4.919 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.469 -3.400 -5.830 1.00 0.00 C ATOM 0 H VAL A 21 -1.160 -1.472 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.016 -3.912 -6.963 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.893 -3.311 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.006 -5.603 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.784 -5.576 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.831 -5.837 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.310 -3.717 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.540 -3.871 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.492 -2.316 -5.946 1.00 0.00 H new ATOM 390 N LEU A 22 -3.665 -2.902 -4.281 1.00 0.00 N ATOM 391 CA LEU A 22 -4.872 -3.118 -3.491 1.00 0.00 C ATOM 392 C LEU A 22 -6.122 -2.908 -4.339 1.00 0.00 C ATOM 393 O LEU A 22 -7.170 -3.500 -4.077 1.00 0.00 O ATOM 394 CB LEU A 22 -4.894 -2.175 -2.287 1.00 0.00 C ATOM 395 CG LEU A 22 -4.035 -2.591 -1.093 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.062 -1.518 -0.016 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.510 -3.924 -0.532 1.00 0.00 C ATOM 0 H LEU A 22 -3.122 -2.084 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.865 -4.149 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.568 -1.189 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.925 -2.073 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.006 -2.709 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.445 -1.832 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.673 -0.584 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.087 -1.367 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.887 -4.204 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.547 -3.833 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.437 -4.690 -1.304 1.00 0.00 H new ATOM 409 N HIS A 23 -6.005 -2.062 -5.357 1.00 0.00 N ATOM 410 CA HIS A 23 -7.125 -1.775 -6.246 1.00 0.00 C ATOM 411 C HIS A 23 -7.481 -3.000 -7.084 1.00 0.00 C ATOM 412 O HIS A 23 -8.595 -3.517 -7.002 1.00 0.00 O ATOM 413 CB HIS A 23 -6.789 -0.597 -7.161 1.00 0.00 C ATOM 414 CG HIS A 23 -7.786 -0.389 -8.260 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.765 -1.102 -9.440 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.838 0.457 -8.352 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.760 -0.702 -10.211 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.427 0.244 -9.574 1.00 0.00 N ATOM 0 H HIS A 23 -5.146 -1.563 -5.587 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.987 -1.514 -5.632 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.726 0.311 -6.562 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.805 -0.758 -7.600 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.155 1.168 -7.603 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.989 -1.083 -11.195 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.246 0.736 -9.932 1.00 0.00 H new ATOM 426 N ALA A 24 -6.528 -3.457 -7.890 1.00 0.00 N ATOM 427 CA ALA A 24 -6.741 -4.621 -8.741 1.00 0.00 C ATOM 428 C ALA A 24 -6.857 -5.895 -7.911 1.00 0.00 C ATOM 429 O ALA A 24 -7.235 -6.948 -8.422 1.00 0.00 O ATOM 430 CB ALA A 24 -5.612 -4.749 -9.752 1.00 0.00 C ATOM 0 H ALA A 24 -5.601 -3.039 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.680 -4.481 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.784 -5.623 -10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.578 -3.855 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.664 -4.862 -9.226 1.00 0.00 H new ATOM 436 N ALA A 25 -6.528 -5.791 -6.627 1.00 0.00 N ATOM 437 CA ALA A 25 -6.596 -6.934 -5.726 1.00 0.00 C ATOM 438 C ALA A 25 -7.947 -6.999 -5.022 1.00 0.00 C ATOM 439 O ALA A 25 -8.348 -8.050 -4.522 1.00 0.00 O ATOM 440 CB ALA A 25 -5.469 -6.870 -4.705 1.00 0.00 C ATOM 0 H ALA A 25 -6.212 -4.926 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.482 -7.840 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.532 -7.730 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.509 -6.881 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.557 -5.953 -4.123 1.00 0.00 H new ATOM 446 N PHE A 26 -8.644 -5.868 -4.985 1.00 0.00 N ATOM 447 CA PHE A 26 -9.950 -5.796 -4.340 1.00 0.00 C ATOM 448 C PHE A 26 -11.029 -5.388 -5.340 1.00 0.00 C ATOM 449 O PHE A 26 -12.204 -5.277 -4.990 1.00 0.00 O ATOM 450 CB PHE A 26 -9.914 -4.801 -3.178 1.00 0.00 C ATOM 451 CG PHE A 26 -9.274 -5.354 -1.937 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.015 -5.929 -1.988 1.00 0.00 C ATOM 453 CD2 PHE A 26 -9.931 -5.297 -0.718 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.422 -6.438 -0.848 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.343 -5.804 0.425 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.088 -6.376 0.360 1.00 0.00 C ATOM 0 H PHE A 26 -8.326 -4.989 -5.394 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.192 -6.786 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.372 -3.909 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.932 -4.490 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.490 -5.980 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.913 -4.851 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.440 -6.883 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.865 -5.753 1.369 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.628 -6.774 1.252 1.00 0.00 H new ATOM 466 N ILE A 27 -10.619 -5.165 -6.584 1.00 0.00 N ATOM 467 CA ILE A 27 -11.550 -4.769 -7.635 1.00 0.00 C ATOM 468 C ILE A 27 -12.630 -5.826 -7.838 1.00 0.00 C ATOM 469 O ILE A 27 -13.771 -5.523 -8.188 1.00 0.00 O ATOM 470 CB ILE A 27 -10.822 -4.532 -8.971 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.675 -3.657 -9.892 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.499 -5.859 -9.641 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.774 -2.218 -9.437 1.00 0.00 C ATOM 0 H ILE A 27 -9.650 -5.251 -6.889 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.013 -3.836 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.885 -4.012 -8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.254 -3.684 -10.897 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.678 -4.080 -9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.985 -5.675 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.858 -6.450 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.423 -6.404 -9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.393 -1.657 -10.137 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.223 -2.180 -8.444 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.777 -1.778 -9.401 1.00 0.00 H new ATOM 485 N PRO A 28 -12.266 -7.097 -7.611 1.00 0.00 N ATOM 486 CA PRO A 28 -13.190 -8.224 -7.761 1.00 0.00 C ATOM 487 C PRO A 28 -14.327 -8.181 -6.745 1.00 0.00 C ATOM 488 O PRO A 28 -15.500 -8.263 -7.108 1.00 0.00 O ATOM 489 CB PRO A 28 -12.301 -9.447 -7.517 1.00 0.00 C ATOM 490 CG PRO A 28 -10.909 -8.940 -7.672 1.00 0.00 C ATOM 491 CD PRO A 28 -10.922 -7.530 -7.191 1.00 0.00 C ATOM 0 HA PRO A 28 -13.679 -8.223 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.463 -9.862 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.515 -10.241 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.209 -9.542 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.589 -8.993 -8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.786 -7.462 -6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.135 -6.931 -7.649 1.00 0.00 H new ATOM 499 N PHE A 29 -13.971 -8.050 -5.472 1.00 0.00 N ATOM 500 CA PHE A 29 -14.962 -7.996 -4.403 1.00 0.00 C ATOM 501 C PHE A 29 -15.930 -6.836 -4.617 1.00 0.00 C ATOM 502 O PHE A 29 -17.098 -6.910 -4.239 1.00 0.00 O ATOM 503 CB PHE A 29 -14.271 -7.855 -3.045 1.00 0.00 C ATOM 504 CG PHE A 29 -13.387 -9.018 -2.699 1.00 0.00 C ATOM 505 CD1 PHE A 29 -13.933 -10.224 -2.290 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.008 -8.905 -2.781 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.122 -11.296 -1.971 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.192 -9.975 -2.463 1.00 0.00 C ATOM 509 CZ PHE A 29 -11.749 -11.171 -2.057 1.00 0.00 C ATOM 0 H PHE A 29 -13.004 -7.979 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.529 -8.927 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.675 -6.942 -3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.029 -7.742 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.006 -10.327 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.566 -7.971 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.561 -12.231 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.119 -9.875 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.113 -12.007 -1.807 1.00 0.00 H new ATOM 519 N GLY A 30 -15.434 -5.763 -5.226 1.00 0.00 N ATOM 520 CA GLY A 30 -16.267 -4.603 -5.480 1.00 0.00 C ATOM 521 C GLY A 30 -15.583 -3.581 -6.368 1.00 0.00 C ATOM 522 O GLY A 30 -14.395 -3.305 -6.206 1.00 0.00 O ATOM 0 H GLY A 30 -14.470 -5.677 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.197 -4.923 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.533 -4.136 -4.532 1.00 0.00 H new ATOM 526 N ASP A 31 -16.335 -3.021 -7.308 1.00 0.00 N ATOM 527 CA ASP A 31 -15.795 -2.024 -8.226 1.00 0.00 C ATOM 528 C ASP A 31 -15.290 -0.802 -7.465 1.00 0.00 C ATOM 529 O ASP A 31 -15.941 0.243 -7.449 1.00 0.00 O ATOM 530 CB ASP A 31 -16.858 -1.605 -9.242 1.00 0.00 C ATOM 531 CG ASP A 31 -17.102 -2.667 -10.296 1.00 0.00 C ATOM 532 OD1 ASP A 31 -16.119 -3.130 -10.912 1.00 0.00 O ATOM 533 OD2 ASP A 31 -18.277 -3.037 -10.505 1.00 0.00 O ATOM 0 H ASP A 31 -17.320 -3.240 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.955 -2.472 -8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.792 -1.394 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.548 -0.680 -9.728 1.00 0.00 H new ATOM 538 N ILE A 32 -14.128 -0.941 -6.836 1.00 0.00 N ATOM 539 CA ILE A 32 -13.537 0.152 -6.074 1.00 0.00 C ATOM 540 C ILE A 32 -13.804 1.496 -6.743 1.00 0.00 C ATOM 541 O ILE A 32 -13.403 1.725 -7.885 1.00 0.00 O ATOM 542 CB ILE A 32 -12.017 -0.034 -5.909 1.00 0.00 C ATOM 543 CG1 ILE A 32 -11.719 -1.333 -5.158 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.414 1.157 -5.179 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.248 -1.545 -4.877 1.00 0.00 C ATOM 0 H ILE A 32 -13.577 -1.800 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.005 0.140 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.564 -0.096 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.264 -1.331 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.094 -2.174 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.339 1.011 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.600 2.066 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.870 1.248 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.111 -2.485 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.699 -1.580 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.872 -0.723 -4.268 1.00 0.00 H new ATOM 557 N THR A 33 -14.483 2.385 -6.024 1.00 0.00 N ATOM 558 CA THR A 33 -14.803 3.707 -6.548 1.00 0.00 C ATOM 559 C THR A 33 -13.789 4.744 -6.080 1.00 0.00 C ATOM 560 O THR A 33 -13.504 5.710 -6.787 1.00 0.00 O ATOM 561 CB THR A 33 -16.213 4.155 -6.118 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.224 4.466 -4.721 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.238 3.069 -6.409 1.00 0.00 C ATOM 0 H THR A 33 -14.822 2.213 -5.077 1.00 0.00 H new ATOM 0 HA THR A 33 -14.768 3.633 -7.635 1.00 0.00 H new ATOM 0 HB THR A 33 -16.477 5.045 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.958 5.400 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.226 3.408 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.248 2.856 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.975 2.164 -5.861 1.00 0.00 H new ATOM 571 N ASP A 34 -13.246 4.536 -4.885 1.00 0.00 N ATOM 572 CA ASP A 34 -12.261 5.453 -4.323 1.00 0.00 C ATOM 573 C ASP A 34 -11.372 4.740 -3.309 1.00 0.00 C ATOM 574 O ASP A 34 -11.792 3.774 -2.671 1.00 0.00 O ATOM 575 CB ASP A 34 -12.958 6.642 -3.662 1.00 0.00 C ATOM 576 CG ASP A 34 -13.967 7.305 -4.579 1.00 0.00 C ATOM 577 OD1 ASP A 34 -13.554 8.141 -5.409 1.00 0.00 O ATOM 578 OD2 ASP A 34 -15.170 6.988 -4.466 1.00 0.00 O ATOM 0 H ASP A 34 -13.471 3.741 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.634 5.817 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.461 6.306 -2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.210 7.375 -3.359 1.00 0.00 H new ATOM 583 N ILE A 35 -10.142 5.222 -3.166 1.00 0.00 N ATOM 584 CA ILE A 35 -9.194 4.631 -2.230 1.00 0.00 C ATOM 585 C ILE A 35 -8.431 5.708 -1.466 1.00 0.00 C ATOM 586 O ILE A 35 -8.157 6.783 -1.999 1.00 0.00 O ATOM 587 CB ILE A 35 -8.186 3.717 -2.951 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.921 2.650 -3.764 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.245 3.070 -1.946 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.006 1.805 -4.621 1.00 0.00 C ATOM 0 H ILE A 35 -9.779 6.020 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.775 4.034 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.594 4.324 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.470 2.000 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.658 3.136 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.538 2.427 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.699 3.845 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.822 2.474 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.596 1.070 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.476 2.444 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.285 1.290 -3.986 1.00 0.00 H new ATOM 602 N GLN A 36 -8.091 5.410 -0.216 1.00 0.00 N ATOM 603 CA GLN A 36 -7.358 6.354 0.621 1.00 0.00 C ATOM 604 C GLN A 36 -6.076 5.725 1.156 1.00 0.00 C ATOM 605 O GLN A 36 -6.100 4.632 1.724 1.00 0.00 O ATOM 606 CB GLN A 36 -8.234 6.823 1.784 1.00 0.00 C ATOM 607 CG GLN A 36 -9.558 7.427 1.343 1.00 0.00 C ATOM 608 CD GLN A 36 -10.492 6.402 0.730 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.805 6.576 -0.549 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -10.927 5.463 1.398 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.311 4.524 0.239 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.090 7.214 0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.431 5.978 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.684 7.561 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.046 7.890 2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.368 8.219 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.660 5.368 2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.554 4.781 0.971 1.00 0.00 H new ATOM 619 N ILE A 37 -4.960 6.421 0.971 1.00 0.00 N ATOM 620 CA ILE A 37 -3.668 5.930 1.436 1.00 0.00 C ATOM 621 C ILE A 37 -2.989 6.947 2.347 1.00 0.00 C ATOM 622 O ILE A 37 -2.733 8.088 1.962 1.00 0.00 O ATOM 623 CB ILE A 37 -2.731 5.607 0.257 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.346 4.522 -0.629 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.367 5.169 0.770 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.289 3.139 -0.019 1.00 0.00 C ATOM 0 H ILE A 37 -4.924 7.326 0.503 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.861 5.016 1.997 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.601 6.508 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.386 4.777 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.827 4.509 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.716 4.944 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.927 5.970 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.480 4.279 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.743 2.421 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.250 2.863 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.833 3.135 0.925 1.00 0.00 H new ATOM 638 N PRO A 38 -2.689 6.526 3.584 1.00 0.00 N ATOM 639 CA PRO A 38 -2.033 7.384 4.575 1.00 0.00 C ATOM 640 C PRO A 38 -0.580 7.678 4.217 1.00 0.00 C ATOM 641 O PRO A 38 0.276 6.795 4.276 1.00 0.00 O ATOM 642 CB PRO A 38 -2.109 6.560 5.863 1.00 0.00 C ATOM 643 CG PRO A 38 -2.199 5.146 5.404 1.00 0.00 C ATOM 644 CD PRO A 38 -2.965 5.179 4.111 1.00 0.00 C ATOM 0 HA PRO A 38 -2.511 8.361 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.229 6.718 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.977 6.838 6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.207 4.719 5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.708 4.527 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.628 4.402 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.031 5.021 4.272 1.00 0.00 H new ATOM 652 N LEU A 39 -0.308 8.924 3.845 1.00 0.00 N ATOM 653 CA LEU A 39 1.042 9.336 3.477 1.00 0.00 C ATOM 654 C LEU A 39 1.504 10.514 4.329 1.00 0.00 C ATOM 655 O LEU A 39 0.694 11.335 4.761 1.00 0.00 O ATOM 656 CB LEU A 39 1.096 9.711 1.995 1.00 0.00 C ATOM 657 CG LEU A 39 0.809 8.582 1.005 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.069 9.042 -0.420 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.650 7.357 1.334 1.00 0.00 C ATOM 0 H LEU A 39 -1.005 9.667 3.790 1.00 0.00 H new ATOM 0 HA LEU A 39 1.713 8.496 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.380 10.513 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.086 10.114 1.779 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.243 8.309 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.859 8.225 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.423 9.888 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.112 9.343 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.432 6.564 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.707 7.616 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.413 7.013 2.341 1.00 0.00 H new ATOM 671 N ASP A 40 2.809 10.591 4.564 1.00 0.00 N ATOM 672 CA ASP A 40 3.379 11.671 5.362 1.00 0.00 C ATOM 673 C ASP A 40 3.387 12.979 4.578 1.00 0.00 C ATOM 674 O ASP A 40 3.053 13.007 3.393 1.00 0.00 O ATOM 675 CB ASP A 40 4.801 11.315 5.798 1.00 0.00 C ATOM 676 CG ASP A 40 4.828 10.518 7.088 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.310 11.020 8.107 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.367 9.391 7.077 1.00 0.00 O ATOM 0 H ASP A 40 3.492 9.919 4.214 1.00 0.00 H new ATOM 0 HA ASP A 40 2.758 11.803 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.287 10.741 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.378 12.230 5.928 1.00 0.00 H new ATOM 683 N TYR A 41 3.768 14.061 5.248 1.00 0.00 N ATOM 684 CA TYR A 41 3.816 15.374 4.615 1.00 0.00 C ATOM 685 C TYR A 41 5.248 15.750 4.247 1.00 0.00 C ATOM 686 O TYR A 41 5.492 16.794 3.644 1.00 0.00 O ATOM 687 CB TYR A 41 3.222 16.434 5.545 1.00 0.00 C ATOM 688 CG TYR A 41 4.218 17.000 6.531 1.00 0.00 C ATOM 689 CD1 TYR A 41 4.585 16.286 7.666 1.00 0.00 C ATOM 690 CD2 TYR A 41 4.791 18.250 6.330 1.00 0.00 C ATOM 691 CE1 TYR A 41 5.494 16.800 8.570 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.702 18.771 7.228 1.00 0.00 C ATOM 693 CZ TYR A 41 6.050 18.043 8.347 1.00 0.00 C ATOM 694 OH TYR A 41 6.956 18.559 9.245 1.00 0.00 O ATOM 0 H TYR A 41 4.048 14.055 6.229 1.00 0.00 H new ATOM 0 HA TYR A 41 3.225 15.330 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.817 17.247 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.388 15.997 6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.152 15.313 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.519 18.824 5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.768 16.232 9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.140 19.743 7.055 1.00 0.00 H new ATOM 0 HH TYR A 41 7.252 19.442 8.940 1.00 0.00 H new ATOM 704 N GLU A 42 6.192 14.889 4.615 1.00 0.00 N ATOM 705 CA GLU A 42 7.601 15.130 4.324 1.00 0.00 C ATOM 706 C GLU A 42 8.183 14.000 3.480 1.00 0.00 C ATOM 707 O GLU A 42 9.043 14.225 2.627 1.00 0.00 O ATOM 708 CB GLU A 42 8.396 15.272 5.623 1.00 0.00 C ATOM 709 CG GLU A 42 7.831 14.457 6.775 1.00 0.00 C ATOM 710 CD GLU A 42 8.727 14.476 7.998 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.912 14.100 7.870 1.00 0.00 O ATOM 712 OE2 GLU A 42 8.246 14.867 9.081 1.00 0.00 O ATOM 0 H GLU A 42 6.007 14.019 5.115 1.00 0.00 H new ATOM 0 HA GLU A 42 7.675 16.059 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.427 14.966 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.421 16.323 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.849 14.846 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.688 13.426 6.450 1.00 0.00 H new ATOM 719 N THR A 43 7.708 12.782 3.723 1.00 0.00 N ATOM 720 CA THR A 43 8.182 11.617 2.988 1.00 0.00 C ATOM 721 C THR A 43 7.095 11.066 2.071 1.00 0.00 C ATOM 722 O THR A 43 7.385 10.362 1.104 1.00 0.00 O ATOM 723 CB THR A 43 8.646 10.500 3.942 1.00 0.00 C ATOM 724 OG1 THR A 43 7.596 10.173 4.859 1.00 0.00 O ATOM 725 CG2 THR A 43 9.885 10.929 4.714 1.00 0.00 C ATOM 0 H THR A 43 6.995 12.578 4.423 1.00 0.00 H new ATOM 0 HA THR A 43 9.029 11.947 2.387 1.00 0.00 H new ATOM 0 HB THR A 43 8.894 9.622 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.898 9.461 5.461 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.195 10.125 5.381 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.691 11.151 4.014 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.658 11.820 5.300 1.00 0.00 H new ATOM 733 N GLU A 44 5.844 11.392 2.381 1.00 0.00 N ATOM 734 CA GLU A 44 4.715 10.930 1.583 1.00 0.00 C ATOM 735 C GLU A 44 4.729 9.409 1.451 1.00 0.00 C ATOM 736 O GLU A 44 4.388 8.862 0.402 1.00 0.00 O ATOM 737 CB GLU A 44 4.744 11.573 0.195 1.00 0.00 C ATOM 738 CG GLU A 44 4.347 13.040 0.195 1.00 0.00 C ATOM 739 CD GLU A 44 5.530 13.965 0.404 1.00 0.00 C ATOM 740 OE1 GLU A 44 6.425 13.614 1.201 1.00 0.00 O ATOM 741 OE2 GLU A 44 5.561 15.039 -0.232 1.00 0.00 O ATOM 0 H GLU A 44 5.587 11.974 3.178 1.00 0.00 H new ATOM 0 HA GLU A 44 3.798 11.226 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.747 11.477 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.072 11.024 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.864 13.282 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.612 13.213 0.981 1.00 0.00 H new ATOM 748 N LYS A 45 5.126 8.732 2.523 1.00 0.00 N ATOM 749 CA LYS A 45 5.184 7.275 2.530 1.00 0.00 C ATOM 750 C LYS A 45 4.192 6.696 3.533 1.00 0.00 C ATOM 751 O LYS A 45 3.832 7.348 4.513 1.00 0.00 O ATOM 752 CB LYS A 45 6.600 6.803 2.867 1.00 0.00 C ATOM 753 CG LYS A 45 7.642 7.229 1.847 1.00 0.00 C ATOM 754 CD LYS A 45 8.811 6.259 1.805 1.00 0.00 C ATOM 755 CE LYS A 45 9.778 6.502 2.954 1.00 0.00 C ATOM 756 NZ LYS A 45 11.140 5.983 2.651 1.00 0.00 N ATOM 0 H LYS A 45 5.413 9.169 3.399 1.00 0.00 H new ATOM 0 HA LYS A 45 4.916 6.920 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.881 7.193 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.603 5.716 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.183 7.290 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.005 8.227 2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.438 5.236 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.338 6.363 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.834 7.571 3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.399 6.022 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.769 6.168 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.091 4.959 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.513 6.460 1.805 1.00 0.00 H new ATOM 770 N HIS A 46 3.754 5.466 3.282 1.00 0.00 N ATOM 771 CA HIS A 46 2.804 4.798 4.165 1.00 0.00 C ATOM 772 C HIS A 46 3.508 3.760 5.035 1.00 0.00 C ATOM 773 O HIS A 46 4.521 3.186 4.635 1.00 0.00 O ATOM 774 CB HIS A 46 1.699 4.129 3.347 1.00 0.00 C ATOM 775 CG HIS A 46 2.051 2.752 2.877 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.383 1.725 3.735 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.120 2.234 1.628 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.644 0.636 3.035 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.491 0.917 1.753 1.00 0.00 N ATOM 0 H HIS A 46 4.041 4.912 2.475 1.00 0.00 H new ATOM 0 HA HIS A 46 2.359 5.551 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.793 4.077 3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.471 4.752 2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.921 2.758 0.705 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.933 -0.322 3.441 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.626 0.263 0.982 1.00 0.00 H new ATOM 787 N ARG A 47 2.965 3.526 6.224 1.00 0.00 N ATOM 788 CA ARG A 47 3.542 2.559 7.151 1.00 0.00 C ATOM 789 C ARG A 47 3.235 1.131 6.708 1.00 0.00 C ATOM 790 O ARG A 47 4.140 0.317 6.532 1.00 0.00 O ATOM 791 CB ARG A 47 3.006 2.793 8.564 1.00 0.00 C ATOM 792 CG ARG A 47 3.798 3.822 9.354 1.00 0.00 C ATOM 793 CD ARG A 47 5.005 3.195 10.034 1.00 0.00 C ATOM 794 NE ARG A 47 6.178 3.185 9.164 1.00 0.00 N ATOM 795 CZ ARG A 47 7.236 2.407 9.368 1.00 0.00 C ATOM 796 NH1 ARG A 47 7.267 1.582 10.405 1.00 0.00 N ATOM 797 NH2 ARG A 47 8.266 2.454 8.532 1.00 0.00 N ATOM 0 H ARG A 47 2.126 3.992 6.569 1.00 0.00 H new ATOM 0 HA ARG A 47 4.623 2.696 7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.967 3.117 8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.012 1.848 9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.128 4.619 8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.154 4.281 10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.234 3.746 10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.765 2.174 10.331 1.00 0.00 H new ATOM 0 HE ARG A 47 6.186 3.808 8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.477 1.543 11.049 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.081 0.986 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.246 3.087 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.078 1.857 8.689 1.00 0.00 H new ATOM 811 N GLY A 48 1.950 0.835 6.531 1.00 0.00 N ATOM 812 CA GLY A 48 1.547 -0.494 6.111 1.00 0.00 C ATOM 813 C GLY A 48 0.059 -0.729 6.283 1.00 0.00 C ATOM 814 O GLY A 48 -0.355 -1.715 6.893 1.00 0.00 O ATOM 0 H GLY A 48 1.182 1.492 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.816 -0.638 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.098 -1.237 6.687 1.00 0.00 H new ATOM 818 N PHE A 49 -0.748 0.180 5.745 1.00 0.00 N ATOM 819 CA PHE A 49 -2.199 0.068 5.844 1.00 0.00 C ATOM 820 C PHE A 49 -2.885 1.153 5.019 1.00 0.00 C ATOM 821 O PHE A 49 -2.243 2.093 4.554 1.00 0.00 O ATOM 822 CB PHE A 49 -2.640 0.166 7.306 1.00 0.00 C ATOM 823 CG PHE A 49 -1.986 1.292 8.055 1.00 0.00 C ATOM 824 CD1 PHE A 49 -2.440 2.593 7.912 1.00 0.00 C ATOM 825 CD2 PHE A 49 -0.918 1.048 8.903 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.840 3.631 8.600 1.00 0.00 C ATOM 827 CE2 PHE A 49 -0.315 2.082 9.594 1.00 0.00 C ATOM 828 CZ PHE A 49 -0.776 3.375 9.442 1.00 0.00 C ATOM 0 H PHE A 49 -0.422 1.002 5.236 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.492 -0.904 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.722 0.295 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.414 -0.774 7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.272 2.799 7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.553 0.039 9.025 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.203 4.641 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.516 1.879 10.253 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.305 4.184 9.981 1.00 0.00 H new ATOM 838 N ALA A 50 -4.195 1.014 4.843 1.00 0.00 N ATOM 839 CA ALA A 50 -4.970 1.982 4.077 1.00 0.00 C ATOM 840 C ALA A 50 -6.462 1.679 4.159 1.00 0.00 C ATOM 841 O ALA A 50 -6.877 0.724 4.816 1.00 0.00 O ATOM 842 CB ALA A 50 -4.511 1.994 2.626 1.00 0.00 C ATOM 0 H ALA A 50 -4.742 0.240 5.221 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.802 2.969 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.098 2.721 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.456 2.266 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.650 1.004 2.192 1.00 0.00 H new ATOM 848 N PHE A 51 -7.265 2.498 3.488 1.00 0.00 N ATOM 849 CA PHE A 51 -8.712 2.319 3.487 1.00 0.00 C ATOM 850 C PHE A 51 -9.254 2.278 2.061 1.00 0.00 C ATOM 851 O PHE A 51 -8.952 3.149 1.245 1.00 0.00 O ATOM 852 CB PHE A 51 -9.388 3.448 4.269 1.00 0.00 C ATOM 853 CG PHE A 51 -8.948 3.530 5.703 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.731 4.102 6.036 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.752 3.036 6.717 1.00 0.00 C ATOM 856 CE1 PHE A 51 -7.323 4.181 7.354 1.00 0.00 C ATOM 857 CE2 PHE A 51 -9.350 3.111 8.037 1.00 0.00 C ATOM 858 CZ PHE A 51 -8.133 3.683 8.356 1.00 0.00 C ATOM 0 H PHE A 51 -6.938 3.292 2.938 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.935 1.368 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.176 4.397 3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.468 3.306 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.093 4.491 5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.704 2.587 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.373 4.631 7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.986 2.723 8.819 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.816 3.741 9.387 1.00 0.00 H new ATOM 868 N VAL A 52 -10.056 1.259 1.768 1.00 0.00 N ATOM 869 CA VAL A 52 -10.641 1.103 0.442 1.00 0.00 C ATOM 870 C VAL A 52 -12.150 1.311 0.479 1.00 0.00 C ATOM 871 O VAL A 52 -12.834 0.807 1.369 1.00 0.00 O ATOM 872 CB VAL A 52 -10.340 -0.290 -0.144 1.00 0.00 C ATOM 873 CG1 VAL A 52 -10.989 -0.446 -1.510 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.838 -0.518 -0.229 1.00 0.00 C ATOM 0 H VAL A 52 -10.315 0.529 2.432 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.188 1.863 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.762 -1.044 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.766 -1.436 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.068 -0.328 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.599 0.314 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.643 -1.506 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.391 0.241 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.403 -0.452 0.768 1.00 0.00 H new ATOM 884 N GLU A 53 -12.664 2.057 -0.494 1.00 0.00 N ATOM 885 CA GLU A 53 -14.094 2.332 -0.572 1.00 0.00 C ATOM 886 C GLU A 53 -14.759 1.458 -1.631 1.00 0.00 C ATOM 887 O GLU A 53 -14.362 1.465 -2.797 1.00 0.00 O ATOM 888 CB GLU A 53 -14.335 3.809 -0.889 1.00 0.00 C ATOM 889 CG GLU A 53 -15.770 4.254 -0.662 1.00 0.00 C ATOM 890 CD GLU A 53 -15.891 5.750 -0.448 1.00 0.00 C ATOM 891 OE1 GLU A 53 -14.970 6.485 -0.862 1.00 0.00 O ATOM 892 OE2 GLU A 53 -16.907 6.186 0.133 1.00 0.00 O ATOM 0 H GLU A 53 -12.112 2.482 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.536 2.099 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.673 4.417 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.065 3.998 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.376 3.963 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.175 3.733 0.206 1.00 0.00 H new ATOM 899 N PHE A 54 -15.773 0.705 -1.217 1.00 0.00 N ATOM 900 CA PHE A 54 -16.493 -0.176 -2.129 1.00 0.00 C ATOM 901 C PHE A 54 -17.735 0.514 -2.685 1.00 0.00 C ATOM 902 O PHE A 54 -18.279 1.428 -2.066 1.00 0.00 O ATOM 903 CB PHE A 54 -16.891 -1.469 -1.414 1.00 0.00 C ATOM 904 CG PHE A 54 -15.772 -2.465 -1.309 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.457 -2.042 -1.211 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.035 -3.826 -1.309 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.424 -2.956 -1.113 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.007 -4.744 -1.211 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.700 -4.309 -1.114 1.00 0.00 C ATOM 0 H PHE A 54 -16.114 0.687 -0.256 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.831 -0.417 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.246 -1.226 -0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.725 -1.927 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.235 -0.985 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.055 -4.173 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.403 -2.612 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.226 -5.802 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.895 -5.025 -1.039 1.00 0.00 H new ATOM 919 N GLU A 55 -18.176 0.070 -3.858 1.00 0.00 N ATOM 920 CA GLU A 55 -19.353 0.646 -4.498 1.00 0.00 C ATOM 921 C GLU A 55 -20.605 0.392 -3.664 1.00 0.00 C ATOM 922 O GLU A 55 -21.488 1.246 -3.574 1.00 0.00 O ATOM 923 CB GLU A 55 -19.534 0.063 -5.901 1.00 0.00 C ATOM 924 CG GLU A 55 -20.461 0.880 -6.785 1.00 0.00 C ATOM 925 CD GLU A 55 -19.725 1.949 -7.571 1.00 0.00 C ATOM 926 OE1 GLU A 55 -18.807 1.595 -8.338 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.069 3.140 -7.417 1.00 0.00 O ATOM 0 H GLU A 55 -17.737 -0.686 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.202 1.723 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.559 -0.012 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.926 -0.950 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.976 0.215 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.226 1.350 -6.167 1.00 0.00 H new ATOM 934 N LEU A 56 -20.675 -0.787 -3.057 1.00 0.00 N ATOM 935 CA LEU A 56 -21.819 -1.155 -2.230 1.00 0.00 C ATOM 936 C LEU A 56 -21.376 -1.510 -0.814 1.00 0.00 C ATOM 937 O LEU A 56 -20.195 -1.420 -0.482 1.00 0.00 O ATOM 938 CB LEU A 56 -22.566 -2.335 -2.854 1.00 0.00 C ATOM 939 CG LEU A 56 -23.062 -2.133 -4.286 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.472 -3.462 -4.902 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.223 -1.150 -4.315 1.00 0.00 C ATOM 0 H LEU A 56 -19.953 -1.505 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.488 -0.296 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.909 -3.205 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.423 -2.571 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.245 -1.718 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -23.822 -3.298 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -22.615 -4.136 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.273 -3.906 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.563 -1.019 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.042 -1.536 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.897 -0.190 -3.915 1.00 0.00 H new ATOM 953 N ALA A 57 -22.332 -1.917 0.015 1.00 0.00 N ATOM 954 CA ALA A 57 -22.040 -2.291 1.393 1.00 0.00 C ATOM 955 C ALA A 57 -21.933 -3.804 1.541 1.00 0.00 C ATOM 956 O ALA A 57 -20.968 -4.314 2.109 1.00 0.00 O ATOM 957 CB ALA A 57 -23.109 -1.742 2.327 1.00 0.00 C ATOM 0 H ALA A 57 -23.315 -1.996 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.078 -1.857 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.878 -2.029 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.135 -0.655 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.081 -2.148 2.047 1.00 0.00 H new ATOM 963 N GLU A 58 -22.930 -4.517 1.026 1.00 0.00 N ATOM 964 CA GLU A 58 -22.947 -5.973 1.102 1.00 0.00 C ATOM 965 C GLU A 58 -21.610 -6.557 0.654 1.00 0.00 C ATOM 966 O GLU A 58 -20.992 -7.343 1.372 1.00 0.00 O ATOM 967 CB GLU A 58 -24.078 -6.538 0.241 1.00 0.00 C ATOM 968 CG GLU A 58 -23.970 -6.162 -1.228 1.00 0.00 C ATOM 969 CD GLU A 58 -25.299 -6.254 -1.952 1.00 0.00 C ATOM 970 OE1 GLU A 58 -26.258 -5.581 -1.519 1.00 0.00 O ATOM 971 OE2 GLU A 58 -25.381 -6.999 -2.951 1.00 0.00 O ATOM 0 H GLU A 58 -23.736 -4.110 0.552 1.00 0.00 H new ATOM 0 HA GLU A 58 -23.117 -6.255 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -24.083 -7.624 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -25.032 -6.182 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -23.584 -5.146 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -23.249 -6.818 -1.715 1.00 0.00 H new ATOM 978 N ASP A 59 -21.171 -6.167 -0.538 1.00 0.00 N ATOM 979 CA ASP A 59 -19.908 -6.651 -1.083 1.00 0.00 C ATOM 980 C ASP A 59 -18.769 -6.431 -0.092 1.00 0.00 C ATOM 981 O ASP A 59 -17.970 -7.332 0.161 1.00 0.00 O ATOM 982 CB ASP A 59 -19.595 -5.946 -2.404 1.00 0.00 C ATOM 983 CG ASP A 59 -19.366 -4.458 -2.226 1.00 0.00 C ATOM 984 OD1 ASP A 59 -20.003 -3.862 -1.331 1.00 0.00 O ATOM 985 OD2 ASP A 59 -18.551 -3.889 -2.981 1.00 0.00 O ATOM 0 H ASP A 59 -21.671 -5.517 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.005 -7.721 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.709 -6.396 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.419 -6.103 -3.100 1.00 0.00 H new ATOM 990 N ALA A 60 -18.700 -5.226 0.465 1.00 0.00 N ATOM 991 CA ALA A 60 -17.659 -4.888 1.428 1.00 0.00 C ATOM 992 C ALA A 60 -17.572 -5.936 2.532 1.00 0.00 C ATOM 993 O ALA A 60 -16.503 -6.482 2.800 1.00 0.00 O ATOM 994 CB ALA A 60 -17.918 -3.512 2.023 1.00 0.00 C ATOM 0 H ALA A 60 -19.353 -4.468 0.266 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.704 -4.871 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.133 -3.272 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.923 -2.767 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.884 -3.510 2.528 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.705 -6.211 3.171 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.756 -7.195 4.245 1.00 0.00 C ATOM 1002 C ALA A 61 -18.202 -8.539 3.786 1.00 0.00 C ATOM 1003 O ALA A 61 -17.455 -9.194 4.513 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.184 -7.354 4.747 1.00 0.00 C ATOM 0 H ALA A 61 -19.599 -5.766 2.963 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.132 -6.836 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.208 -8.092 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.546 -6.397 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.822 -7.687 3.929 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.574 -8.945 2.577 1.00 0.00 N ATOM 1011 CA ALA A 62 -18.113 -10.211 2.021 1.00 0.00 C ATOM 1012 C ALA A 62 -16.597 -10.217 1.852 1.00 0.00 C ATOM 1013 O ALA A 62 -15.947 -11.246 2.033 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.795 -10.482 0.688 1.00 0.00 C ATOM 0 H ALA A 62 -19.193 -8.416 1.964 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.378 -11.004 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.441 -11.431 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.874 -10.530 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.559 -9.680 -0.011 1.00 0.00 H new ATOM 1020 N ALA A 63 -16.041 -9.061 1.503 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.602 -8.933 1.311 1.00 0.00 C ATOM 1022 C ALA A 63 -13.851 -9.160 2.619 1.00 0.00 C ATOM 1023 O ALA A 63 -12.830 -9.847 2.648 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.266 -7.565 0.737 1.00 0.00 C ATOM 0 H ALA A 63 -16.566 -8.200 1.348 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.285 -9.699 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.188 -7.483 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.765 -7.441 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.604 -6.789 1.424 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.363 -8.578 3.698 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.740 -8.717 5.008 1.00 0.00 C ATOM 1032 C ILE A 64 -13.731 -10.174 5.460 1.00 0.00 C ATOM 1033 O ILE A 64 -12.680 -10.727 5.784 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.464 -7.867 6.069 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.566 -6.412 5.606 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.739 -7.954 7.403 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.340 -5.528 6.558 1.00 0.00 C ATOM 0 H ILE A 64 -15.207 -8.006 3.691 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.714 -8.363 4.909 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.473 -8.259 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.561 -6.007 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -15.044 -6.383 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.263 -7.348 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.714 -8.991 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.720 -7.585 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.372 -4.511 6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.356 -5.908 6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.851 -5.526 7.532 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.908 -10.789 5.478 1.00 0.00 N ATOM 1050 CA ASP A 65 -15.035 -12.183 5.888 1.00 0.00 C ATOM 1051 C ASP A 65 -14.022 -13.059 5.157 1.00 0.00 C ATOM 1052 O ASP A 65 -13.708 -14.163 5.600 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.453 -12.689 5.617 1.00 0.00 C ATOM 1054 CG ASP A 65 -16.707 -14.054 6.226 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -16.846 -14.135 7.464 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -16.768 -15.041 5.463 1.00 0.00 O ATOM 0 H ASP A 65 -15.787 -10.345 5.214 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.834 -12.241 6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.173 -11.976 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.619 -12.738 4.541 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.515 -12.558 4.036 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.538 -13.296 3.243 1.00 0.00 C ATOM 1063 C ASN A 66 -11.137 -12.723 3.435 1.00 0.00 C ATOM 1064 O ASN A 66 -10.304 -13.311 4.124 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.918 -13.257 1.761 1.00 0.00 C ATOM 1066 CG ASN A 66 -14.123 -14.125 1.451 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -14.017 -15.118 0.732 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.276 -13.752 1.993 1.00 0.00 N ATOM 0 H ASN A 66 -13.764 -11.645 3.656 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.538 -14.331 3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.130 -12.228 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.070 -13.590 1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.121 -14.296 1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.317 -12.921 2.583 1.00 0.00 H new ATOM 1075 N MET A 67 -10.886 -11.571 2.821 1.00 0.00 N ATOM 1076 CA MET A 67 -9.586 -10.917 2.926 1.00 0.00 C ATOM 1077 C MET A 67 -8.995 -11.104 4.319 1.00 0.00 C ATOM 1078 O MET A 67 -7.800 -11.354 4.468 1.00 0.00 O ATOM 1079 CB MET A 67 -9.715 -9.426 2.609 1.00 0.00 C ATOM 1080 CG MET A 67 -10.202 -9.145 1.197 1.00 0.00 C ATOM 1081 SD MET A 67 -9.355 -10.144 -0.043 1.00 0.00 S ATOM 1082 CE MET A 67 -7.650 -9.688 0.263 1.00 0.00 C ATOM 0 H MET A 67 -11.565 -11.072 2.246 1.00 0.00 H new ATOM 0 HA MET A 67 -8.915 -11.378 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.404 -8.970 3.320 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.746 -8.947 2.752 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.274 -9.336 1.142 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.055 -8.089 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.225 -9.245 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.607 -8.966 1.078 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.079 -10.576 0.535 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.840 -10.979 5.338 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.400 -11.133 6.719 1.00 0.00 C ATOM 1094 C ASN A 68 -8.375 -12.256 6.842 1.00 0.00 C ATOM 1095 O ASN A 68 -8.696 -13.426 6.635 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.597 -11.417 7.629 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.187 -12.061 8.939 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -9.859 -11.373 9.906 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -10.205 -13.388 8.977 1.00 0.00 N ATOM 0 H ASN A 68 -10.833 -10.771 5.232 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.929 -10.200 7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.123 -10.485 7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.298 -12.071 7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.940 -13.877 9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.484 -13.918 8.151 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.143 -11.892 7.181 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.072 -12.870 7.331 1.00 0.00 C ATOM 1108 C GLU A 69 -5.786 -13.571 6.007 1.00 0.00 C ATOM 1109 O GLU A 69 -5.538 -14.776 5.971 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.439 -13.902 8.399 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.657 -13.301 9.778 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.098 -14.331 10.800 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -8.163 -14.951 10.596 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -6.379 -14.516 11.803 1.00 0.00 O ATOM 0 H GLU A 69 -6.862 -10.928 7.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.172 -12.340 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.346 -14.423 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.647 -14.648 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.733 -12.832 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.409 -12.514 9.713 1.00 0.00 H new ATOM 1121 N SER A 70 -5.823 -12.808 4.919 1.00 0.00 N ATOM 1122 CA SER A 70 -5.573 -13.356 3.592 1.00 0.00 C ATOM 1123 C SER A 70 -4.076 -13.415 3.302 1.00 0.00 C ATOM 1124 O SER A 70 -3.258 -13.005 4.124 1.00 0.00 O ATOM 1125 CB SER A 70 -6.276 -12.511 2.527 1.00 0.00 C ATOM 1126 OG SER A 70 -5.911 -11.147 2.635 1.00 0.00 O ATOM 0 H SER A 70 -6.024 -11.808 4.931 1.00 0.00 H new ATOM 0 HA SER A 70 -5.972 -14.370 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.018 -12.882 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.356 -12.611 2.634 1.00 0.00 H new ATOM 0 HG SER A 70 -6.464 -10.714 3.318 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.727 -13.930 2.127 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.329 -14.044 1.728 1.00 0.00 C ATOM 1134 C GLU A 71 -2.027 -13.139 0.537 1.00 0.00 C ATOM 1135 O GLU A 71 -2.593 -13.306 -0.543 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.992 -15.495 1.379 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.516 -15.728 1.104 1.00 0.00 C ATOM 1138 CD GLU A 71 -0.127 -17.190 1.210 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.864 -18.042 0.672 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.916 -17.481 1.833 1.00 0.00 O ATOM 0 H GLU A 71 -4.393 -14.275 1.435 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.711 -13.727 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.306 -16.140 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.568 -15.792 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.274 -15.363 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.078 -15.146 1.809 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.131 -12.180 0.743 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.752 -11.247 -0.313 1.00 0.00 C ATOM 1149 C LEU A 72 0.760 -11.054 -0.352 1.00 0.00 C ATOM 1150 O LEU A 72 1.411 -10.949 0.688 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.445 -9.900 -0.102 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.256 -8.867 -1.214 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -1.944 -9.325 -2.490 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -1.788 -7.510 -0.777 1.00 0.00 C ATOM 0 H LEU A 72 -0.653 -12.028 1.631 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.070 -11.667 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.513 -10.079 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.083 -9.470 0.832 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.189 -8.769 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.799 -8.578 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.517 -10.274 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.010 -9.452 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.645 -6.787 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.850 -7.592 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.250 -7.177 0.110 1.00 0.00 H new ATOM 1166 N PHE A 73 1.314 -11.007 -1.559 1.00 0.00 N ATOM 1167 CA PHE A 73 2.750 -10.825 -1.735 1.00 0.00 C ATOM 1168 C PHE A 73 3.533 -11.744 -0.802 1.00 0.00 C ATOM 1169 O PHE A 73 4.625 -11.403 -0.349 1.00 0.00 O ATOM 1170 CB PHE A 73 3.137 -9.367 -1.475 1.00 0.00 C ATOM 1171 CG PHE A 73 3.087 -8.506 -2.705 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.923 -8.406 -3.450 1.00 0.00 C ATOM 1173 CD2 PHE A 73 4.205 -7.798 -3.116 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.874 -7.614 -4.582 1.00 0.00 C ATOM 1175 CE2 PHE A 73 4.162 -7.004 -4.247 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.996 -6.913 -4.981 1.00 0.00 C ATOM 0 H PHE A 73 0.790 -11.092 -2.430 1.00 0.00 H new ATOM 0 HA PHE A 73 3.000 -11.082 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.468 -8.950 -0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.144 -9.335 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.044 -8.953 -3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.120 -7.867 -2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.960 -7.543 -5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.040 -6.455 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.961 -6.295 -5.866 1.00 0.00 H new ATOM 1186 N GLY A 74 2.965 -12.912 -0.517 1.00 0.00 N ATOM 1187 CA GLY A 74 3.622 -13.863 0.361 1.00 0.00 C ATOM 1188 C GLY A 74 3.619 -13.413 1.808 1.00 0.00 C ATOM 1189 O GLY A 74 4.587 -13.633 2.536 1.00 0.00 O ATOM 0 H GLY A 74 2.061 -13.217 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.124 -14.829 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.651 -14.007 0.031 1.00 0.00 H new ATOM 1193 N ARG A 75 2.528 -12.780 2.227 1.00 0.00 N ATOM 1194 CA ARG A 75 2.403 -12.295 3.596 1.00 0.00 C ATOM 1195 C ARG A 75 0.949 -12.333 4.057 1.00 0.00 C ATOM 1196 O ARG A 75 0.040 -12.570 3.260 1.00 0.00 O ATOM 1197 CB ARG A 75 2.948 -10.870 3.707 1.00 0.00 C ATOM 1198 CG ARG A 75 1.898 -9.797 3.472 1.00 0.00 C ATOM 1199 CD ARG A 75 2.526 -8.499 2.988 1.00 0.00 C ATOM 1200 NE ARG A 75 2.878 -7.615 4.096 1.00 0.00 N ATOM 1201 CZ ARG A 75 4.011 -7.714 4.783 1.00 0.00 C ATOM 1202 NH1 ARG A 75 4.896 -8.652 4.477 1.00 0.00 N ATOM 1203 NH2 ARG A 75 4.259 -6.872 5.778 1.00 0.00 N ATOM 0 H ARG A 75 1.717 -12.591 1.637 1.00 0.00 H new ATOM 0 HA ARG A 75 2.987 -12.951 4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.381 -10.732 4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.755 -10.741 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.175 -10.149 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.349 -9.615 4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.420 -8.724 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.832 -7.987 2.322 1.00 0.00 H new ATOM 0 HE ARG A 75 2.218 -6.882 4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.708 -9.300 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.765 -8.725 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.580 -6.149 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.129 -6.948 6.306 1.00 0.00 H new ATOM 1217 N THR A 76 0.736 -12.098 5.348 1.00 0.00 N ATOM 1218 CA THR A 76 -0.607 -12.107 5.915 1.00 0.00 C ATOM 1219 C THR A 76 -1.091 -10.690 6.202 1.00 0.00 C ATOM 1220 O THR A 76 -0.427 -9.928 6.906 1.00 0.00 O ATOM 1221 CB THR A 76 -0.662 -12.930 7.215 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.101 -14.229 6.997 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.094 -13.067 7.709 1.00 0.00 C ATOM 0 H THR A 76 1.476 -11.899 6.021 1.00 0.00 H new ATOM 0 HA THR A 76 -1.260 -12.568 5.175 1.00 0.00 H new ATOM 0 HB THR A 76 -0.081 -12.407 7.974 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.138 -14.745 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.107 -13.652 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.508 -12.078 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.694 -13.569 6.950 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.251 -10.344 5.655 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.825 -9.019 5.855 1.00 0.00 C ATOM 1233 C ILE A 77 -4.144 -9.100 6.614 1.00 0.00 C ATOM 1234 O ILE A 77 -4.894 -10.067 6.476 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.061 -8.300 4.513 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -3.933 -9.159 3.596 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.733 -7.979 3.843 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.570 -8.381 2.465 1.00 0.00 C ATOM 0 H ILE A 77 -2.812 -10.963 5.070 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.105 -8.449 6.442 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.583 -7.363 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.325 -9.961 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.717 -9.629 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.917 -7.471 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.144 -7.332 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.186 -8.903 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.174 -9.053 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.204 -7.596 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.791 -7.933 1.848 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.423 -8.078 7.416 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.652 -8.033 8.198 1.00 0.00 C ATOM 1252 C ARG A 78 -6.666 -7.086 7.562 1.00 0.00 C ATOM 1253 O ARG A 78 -6.300 -6.056 6.996 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.355 -7.590 9.632 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.518 -8.588 10.416 1.00 0.00 C ATOM 1256 CD ARG A 78 -4.770 -8.473 11.911 1.00 0.00 C ATOM 1257 NE ARG A 78 -3.625 -8.928 12.696 1.00 0.00 N ATOM 1258 CZ ARG A 78 -3.677 -9.165 14.001 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -4.811 -8.993 14.665 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -2.592 -9.577 14.646 1.00 0.00 N ATOM 0 H ARG A 78 -3.814 -7.269 7.541 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.078 -9.036 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.835 -6.632 9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.297 -7.428 10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.750 -9.600 10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.461 -8.419 10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.993 -7.436 12.162 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.648 -9.061 12.177 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.737 -9.071 12.215 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.647 -8.678 14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.848 -9.176 15.668 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.717 -9.712 14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.633 -9.759 15.649 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.943 -7.443 7.660 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.010 -6.625 7.095 1.00 0.00 C ATOM 1276 C VAL A 79 -10.168 -6.479 8.076 1.00 0.00 C ATOM 1277 O VAL A 79 -10.589 -7.449 8.705 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.540 -7.225 5.779 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.487 -6.253 5.092 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.385 -7.595 4.860 1.00 0.00 C ATOM 0 H VAL A 79 -8.263 -8.292 8.125 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.583 -5.643 6.892 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.096 -8.133 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.851 -6.694 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.331 -6.041 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.959 -5.326 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.777 -8.017 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.801 -6.703 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.749 -8.330 5.353 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.680 -5.259 8.202 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.790 -4.985 9.107 1.00 0.00 C ATOM 1292 C ASN A 80 -12.435 -3.640 8.785 1.00 0.00 C ATOM 1293 O ASN A 80 -11.852 -2.811 8.084 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.307 -4.997 10.558 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.451 -4.910 11.549 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -12.495 -4.007 12.385 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -13.385 -5.850 11.460 1.00 0.00 N ATOM 0 H ASN A 80 -10.344 -4.444 7.689 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.537 -5.768 8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.740 -5.909 10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.627 -4.161 10.718 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.179 -5.842 12.100 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.308 -6.580 10.752 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.640 -3.429 9.303 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.365 -2.184 9.072 1.00 0.00 C ATOM 1306 C LEU A 81 -13.541 -0.983 9.524 1.00 0.00 C ATOM 1307 O LEU A 81 -12.902 -1.016 10.576 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.704 -2.206 9.811 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.800 -3.071 9.188 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.963 -3.236 10.154 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.276 -2.465 7.876 1.00 0.00 C ATOM 0 H LEU A 81 -14.136 -4.104 9.886 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.550 -2.093 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.529 -2.554 10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.073 -1.183 9.883 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.384 -4.057 8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.733 -3.854 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.612 -3.715 11.068 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.379 -2.257 10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -18.056 -3.094 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.674 -1.467 8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.439 -2.399 7.181 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.562 0.078 8.724 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.821 1.291 9.044 1.00 0.00 C ATOM 1325 C ALA A 82 -13.223 1.836 10.410 1.00 0.00 C ATOM 1326 O ALA A 82 -14.409 1.960 10.716 1.00 0.00 O ATOM 1327 CB ALA A 82 -13.041 2.344 7.967 1.00 0.00 C ATOM 0 H ALA A 82 -14.085 0.122 7.849 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.761 1.040 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.481 3.245 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.697 1.960 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.103 2.582 7.903 1.00 0.00 H new