USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 68 GLN : amide:sc= -0.381 K(o=-0.65,f=-3.9!) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.265 X(o=-0.65,f=-0.4) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 16 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.0681 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 26 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.3) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.838 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 47 GLN : amide:sc= -0.454 K(o=-0.45,f=-5.1!) USER MOD Single : A 49 CYS SG : rot -99:sc= -0.797 USER MOD Single : A 56 ASN : amide:sc= -0.0032 X(o=-0.0032,f=-0.2) USER MOD Single : A 62 HIS : no HD1:sc= -0.0038 X(o=-0.0038,f=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.343 F(o=-0.91,f=-0.34) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.161 F(o=-0.71,f=-0.16) USER MOD Single : A 78 HIS : no HE2:sc= -0.294 K(o=-0.29,f=-0.82) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.607 0.604 -6.209 1.00 0.00 N ATOM 192 CA GLY A 12 -10.624 -0.200 -5.557 1.00 0.00 C ATOM 193 C GLY A 12 -10.110 -0.878 -4.301 1.00 0.00 C ATOM 194 O GLY A 12 -10.768 -0.851 -3.261 1.00 0.00 O ATOM 0 HA2 GLY A 12 -11.475 0.432 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.986 -0.957 -6.253 1.00 0.00 H new ATOM 198 N GLN A 13 -8.933 -1.487 -4.399 1.00 0.00 N ATOM 199 CA GLN A 13 -8.332 -2.175 -3.262 1.00 0.00 C ATOM 200 C GLN A 13 -7.934 -1.184 -2.174 1.00 0.00 C ATOM 201 O GLN A 13 -8.209 -1.399 -0.993 1.00 0.00 O ATOM 202 CB GLN A 13 -7.108 -2.974 -3.712 1.00 0.00 C ATOM 203 CG GLN A 13 -7.456 -4.289 -4.390 1.00 0.00 C ATOM 204 CD GLN A 13 -7.488 -5.454 -3.420 1.00 0.00 C ATOM 205 OE1 GLN A 13 -7.998 -5.336 -2.306 1.00 0.00 O ATOM 206 NE2 GLN A 13 -6.941 -6.589 -3.840 1.00 0.00 N ATOM 0 H GLN A 13 -8.377 -1.518 -5.253 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.074 -2.860 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.519 -2.365 -4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.478 -3.177 -2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.428 -4.198 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.727 -4.494 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.529 -6.643 -4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.933 -7.407 -3.231 1.00 0.00 H new ATOM 215 N LEU A 14 -7.283 -0.099 -2.579 1.00 0.00 N ATOM 216 CA LEU A 14 -6.845 0.926 -1.638 1.00 0.00 C ATOM 217 C LEU A 14 -8.033 1.521 -0.888 1.00 0.00 C ATOM 218 O LEU A 14 -7.984 1.699 0.329 1.00 0.00 O ATOM 219 CB LEU A 14 -6.086 2.032 -2.374 1.00 0.00 C ATOM 220 CG LEU A 14 -5.001 2.730 -1.553 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.823 3.110 -2.437 1.00 0.00 C ATOM 222 CD2 LEU A 14 -5.568 3.959 -0.858 1.00 0.00 C ATOM 0 H LEU A 14 -7.047 0.094 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.179 0.457 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.627 1.605 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.803 2.781 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.646 2.037 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.061 3.606 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.402 2.211 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.161 3.786 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.783 4.444 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.950 4.655 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.378 3.660 -0.193 1.00 0.00 H new ATOM 234 N ALA A 15 -9.098 1.826 -1.622 1.00 0.00 N ATOM 235 CA ALA A 15 -10.298 2.401 -1.025 1.00 0.00 C ATOM 236 C ALA A 15 -10.875 1.481 0.046 1.00 0.00 C ATOM 237 O ALA A 15 -11.173 1.917 1.157 1.00 0.00 O ATOM 238 CB ALA A 15 -11.338 2.681 -2.100 1.00 0.00 C ATOM 0 H ALA A 15 -9.155 1.685 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.022 3.341 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.229 3.110 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.930 3.383 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.601 1.750 -2.603 1.00 0.00 H new ATOM 244 N THR A 16 -11.031 0.207 -0.297 1.00 0.00 N ATOM 245 CA THR A 16 -11.574 -0.774 0.636 1.00 0.00 C ATOM 246 C THR A 16 -10.611 -1.020 1.793 1.00 0.00 C ATOM 247 O THR A 16 -11.027 -1.141 2.944 1.00 0.00 O ATOM 248 CB THR A 16 -11.865 -2.090 -0.088 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.365 -1.846 -1.390 1.00 0.00 O ATOM 250 CG2 THR A 16 -12.870 -2.961 0.634 1.00 0.00 C ATOM 0 H THR A 16 -10.789 -0.170 -1.213 1.00 0.00 H new ATOM 0 HA THR A 16 -12.504 -0.375 1.041 1.00 0.00 H new ATOM 0 HB THR A 16 -10.911 -2.617 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.616 -1.728 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.030 -3.878 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.491 -3.209 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.814 -2.424 0.730 1.00 0.00 H new ATOM 258 N LEU A 17 -9.322 -1.094 1.478 1.00 0.00 N ATOM 259 CA LEU A 17 -8.300 -1.328 2.491 1.00 0.00 C ATOM 260 C LEU A 17 -8.235 -0.170 3.482 1.00 0.00 C ATOM 261 O LEU A 17 -8.056 -0.377 4.681 1.00 0.00 O ATOM 262 CB LEU A 17 -6.934 -1.523 1.830 1.00 0.00 C ATOM 263 CG LEU A 17 -5.950 -2.388 2.620 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.040 -3.840 2.177 1.00 0.00 C ATOM 265 CD2 LEU A 17 -4.530 -1.867 2.456 1.00 0.00 C ATOM 0 H LEU A 17 -8.961 -0.995 0.529 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.568 -2.233 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.083 -1.973 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.483 -0.544 1.666 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.216 -2.334 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.333 -4.440 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.051 -4.210 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.801 -3.912 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.844 -2.495 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.253 -1.890 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.474 -0.842 2.823 1.00 0.00 H new ATOM 277 N ARG A 18 -8.379 1.049 2.973 1.00 0.00 N ATOM 278 CA ARG A 18 -8.333 2.238 3.815 1.00 0.00 C ATOM 279 C ARG A 18 -9.602 2.368 4.653 1.00 0.00 C ATOM 280 O ARG A 18 -9.571 2.893 5.766 1.00 0.00 O ATOM 281 CB ARG A 18 -8.145 3.490 2.953 1.00 0.00 C ATOM 282 CG ARG A 18 -6.744 4.078 3.034 1.00 0.00 C ATOM 283 CD ARG A 18 -6.773 5.542 3.445 1.00 0.00 C ATOM 284 NE ARG A 18 -5.813 6.343 2.688 1.00 0.00 N ATOM 285 CZ ARG A 18 -6.027 6.783 1.450 1.00 0.00 C ATOM 286 NH1 ARG A 18 -7.163 6.502 0.825 1.00 0.00 N ATOM 287 NH2 ARG A 18 -5.102 7.508 0.835 1.00 0.00 N ATOM 0 H ARG A 18 -8.528 1.239 1.982 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.485 2.138 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.367 3.243 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.866 4.246 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.152 3.510 3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.252 3.981 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.776 5.941 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.554 5.624 4.510 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.927 6.579 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.879 5.946 1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.321 6.842 -0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.227 7.728 1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.266 7.845 -0.114 1.00 0.00 H new ATOM 301 N GLN A 19 -10.717 1.891 4.110 1.00 0.00 N ATOM 302 CA GLN A 19 -11.996 1.959 4.808 1.00 0.00 C ATOM 303 C GLN A 19 -12.116 0.855 5.855 1.00 0.00 C ATOM 304 O GLN A 19 -12.587 1.090 6.968 1.00 0.00 O ATOM 305 CB GLN A 19 -13.151 1.859 3.807 1.00 0.00 C ATOM 306 CG GLN A 19 -14.019 3.105 3.752 1.00 0.00 C ATOM 307 CD GLN A 19 -14.907 3.143 2.524 1.00 0.00 C ATOM 308 OE1 GLN A 19 -16.114 2.915 2.610 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.313 3.432 1.372 1.00 0.00 N ATOM 0 H GLN A 19 -10.761 1.454 3.190 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.047 2.919 5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.744 1.666 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.774 1.004 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.640 3.150 4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.381 3.989 3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.310 3.614 1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.860 3.472 0.512 1.00 0.00 H new ATOM 318 N ARG A 20 -11.694 -0.351 5.490 1.00 0.00 N ATOM 319 CA ARG A 20 -11.764 -1.492 6.396 1.00 0.00 C ATOM 320 C ARG A 20 -10.594 -1.496 7.377 1.00 0.00 C ATOM 321 O ARG A 20 -10.764 -1.798 8.558 1.00 0.00 O ATOM 322 CB ARG A 20 -11.786 -2.800 5.600 1.00 0.00 C ATOM 323 CG ARG A 20 -13.080 -3.582 5.753 1.00 0.00 C ATOM 324 CD ARG A 20 -12.952 -4.671 6.806 1.00 0.00 C ATOM 325 NE ARG A 20 -14.150 -5.503 6.881 1.00 0.00 N ATOM 326 CZ ARG A 20 -14.508 -6.374 5.940 1.00 0.00 C ATOM 327 NH1 ARG A 20 -13.765 -6.529 4.852 1.00 0.00 N ATOM 328 NH2 ARG A 20 -15.613 -7.092 6.088 1.00 0.00 N ATOM 0 H ARG A 20 -11.300 -0.564 4.574 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.686 -1.406 6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.629 -2.576 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.953 -3.425 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.887 -2.902 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.351 -4.029 4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.090 -5.297 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.766 -4.215 7.778 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.747 -5.411 7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.914 -5.979 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.045 -7.198 4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.188 -6.977 6.922 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.888 -7.759 5.367 1.00 0.00 H new ATOM 342 N CYS A 21 -9.406 -1.165 6.881 1.00 0.00 N ATOM 343 CA CYS A 21 -8.211 -1.139 7.720 1.00 0.00 C ATOM 344 C CYS A 21 -7.993 0.239 8.344 1.00 0.00 C ATOM 345 O CYS A 21 -6.919 0.523 8.873 1.00 0.00 O ATOM 346 CB CYS A 21 -6.982 -1.539 6.902 1.00 0.00 C ATOM 347 SG CYS A 21 -5.798 -2.566 7.804 1.00 0.00 S ATOM 0 H CYS A 21 -9.244 -0.912 5.906 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.358 -1.856 8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.310 -2.077 6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.477 -0.636 6.560 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.795 -2.854 7.029 1.00 0.00 H new ATOM 353 N ALA A 22 -9.013 1.092 8.284 1.00 0.00 N ATOM 354 CA ALA A 22 -8.915 2.432 8.851 1.00 0.00 C ATOM 355 C ALA A 22 -8.811 2.375 10.374 1.00 0.00 C ATOM 356 O ALA A 22 -7.810 2.800 10.950 1.00 0.00 O ATOM 357 CB ALA A 22 -10.108 3.276 8.424 1.00 0.00 C ATOM 0 H ALA A 22 -9.912 0.880 7.851 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.006 2.898 8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.021 4.273 8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.130 3.351 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.028 2.809 8.774 1.00 0.00 H new ATOM 363 N PRO A 23 -9.847 1.845 11.050 1.00 0.00 N ATOM 364 CA PRO A 23 -9.861 1.735 12.510 1.00 0.00 C ATOM 365 C PRO A 23 -9.074 0.526 13.008 1.00 0.00 C ATOM 366 O PRO A 23 -9.607 -0.325 13.720 1.00 0.00 O ATOM 367 CB PRO A 23 -11.347 1.568 12.819 1.00 0.00 C ATOM 368 CG PRO A 23 -11.889 0.842 11.636 1.00 0.00 C ATOM 369 CD PRO A 23 -11.086 1.311 10.448 1.00 0.00 C ATOM 0 HA PRO A 23 -9.396 2.593 12.996 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.501 1.002 13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.837 2.533 12.952 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.798 -0.236 11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.949 1.058 11.499 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.876 0.493 9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.618 2.076 9.882 1.00 0.00 H new ATOM 377 N VAL A 24 -7.802 0.454 12.627 1.00 0.00 N ATOM 378 CA VAL A 24 -6.945 -0.654 13.033 1.00 0.00 C ATOM 379 C VAL A 24 -5.792 -0.182 13.920 1.00 0.00 C ATOM 380 O VAL A 24 -5.010 -0.994 14.413 1.00 0.00 O ATOM 381 CB VAL A 24 -6.370 -1.394 11.809 1.00 0.00 C ATOM 382 CG1 VAL A 24 -5.479 -0.470 10.991 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.606 -2.637 12.244 1.00 0.00 C ATOM 0 H VAL A 24 -7.343 1.149 12.038 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.572 -1.338 13.605 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.201 -1.709 11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.084 -1.012 10.132 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.061 0.384 10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.653 -0.119 11.610 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.208 -3.145 11.366 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.784 -2.348 12.900 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.278 -3.309 12.779 1.00 0.00 H new ATOM 393 N SER A 25 -5.688 1.129 14.120 1.00 0.00 N ATOM 394 CA SER A 25 -4.626 1.692 14.947 1.00 0.00 C ATOM 395 C SER A 25 -4.671 1.125 16.365 1.00 0.00 C ATOM 396 O SER A 25 -3.672 1.151 17.085 1.00 0.00 O ATOM 397 CB SER A 25 -4.741 3.216 14.993 1.00 0.00 C ATOM 398 OG SER A 25 -6.098 3.625 15.034 1.00 0.00 O ATOM 0 H SER A 25 -6.325 1.819 13.722 1.00 0.00 H new ATOM 0 HA SER A 25 -3.671 1.417 14.498 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.217 3.597 15.869 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.254 3.647 14.118 1.00 0.00 H new ATOM 0 HG SER A 25 -6.144 4.603 15.065 1.00 0.00 H new ATOM 404 N GLN A 26 -5.834 0.615 16.763 1.00 0.00 N ATOM 405 CA GLN A 26 -6.003 0.047 18.096 1.00 0.00 C ATOM 406 C GLN A 26 -5.269 -1.285 18.224 1.00 0.00 C ATOM 407 O GLN A 26 -4.491 -1.488 19.157 1.00 0.00 O ATOM 408 CB GLN A 26 -7.489 -0.146 18.404 1.00 0.00 C ATOM 409 CG GLN A 26 -8.182 1.120 18.878 1.00 0.00 C ATOM 410 CD GLN A 26 -8.418 1.131 20.376 1.00 0.00 C ATOM 411 OE1 GLN A 26 -8.396 0.086 21.027 1.00 0.00 O ATOM 412 NE2 GLN A 26 -8.646 2.316 20.930 1.00 0.00 N ATOM 0 H GLN A 26 -6.672 0.584 16.182 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.574 0.745 18.815 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.992 -0.512 17.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.596 -0.916 19.168 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.578 1.985 18.603 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.137 1.221 18.363 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.655 3.156 20.352 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.812 2.386 21.934 1.00 0.00 H new ATOM 421 N PHE A 27 -5.524 -2.191 17.286 1.00 0.00 N ATOM 422 CA PHE A 27 -4.890 -3.505 17.299 1.00 0.00 C ATOM 423 C PHE A 27 -3.915 -3.658 16.136 1.00 0.00 C ATOM 424 O PHE A 27 -3.648 -4.769 15.677 1.00 0.00 O ATOM 425 CB PHE A 27 -5.952 -4.602 17.238 1.00 0.00 C ATOM 426 CG PHE A 27 -6.700 -4.648 15.934 1.00 0.00 C ATOM 427 CD1 PHE A 27 -7.686 -3.716 15.652 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.415 -5.623 14.992 1.00 0.00 C ATOM 429 CE1 PHE A 27 -8.374 -3.756 14.455 1.00 0.00 C ATOM 430 CE2 PHE A 27 -7.100 -5.668 13.793 1.00 0.00 C ATOM 431 CZ PHE A 27 -8.081 -4.734 13.524 1.00 0.00 C ATOM 0 H PHE A 27 -6.165 -2.040 16.507 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.328 -3.599 18.228 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.475 -5.567 17.407 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.664 -4.452 18.050 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.919 -2.950 16.376 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.649 -6.356 15.197 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.140 -3.024 14.247 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.868 -6.433 13.067 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.618 -4.768 12.588 1.00 0.00 H new ATOM 441 N ALA A 28 -3.388 -2.535 15.664 1.00 0.00 N ATOM 442 CA ALA A 28 -2.444 -2.539 14.555 1.00 0.00 C ATOM 443 C ALA A 28 -1.149 -3.246 14.937 1.00 0.00 C ATOM 444 O ALA A 28 -0.509 -2.899 15.929 1.00 0.00 O ATOM 445 CB ALA A 28 -2.158 -1.116 14.101 1.00 0.00 C ATOM 0 H ALA A 28 -3.599 -1.608 16.033 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.895 -3.088 13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.451 -1.134 13.272 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.086 -0.644 13.777 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.732 -0.549 14.929 1.00 0.00 H new ATOM 451 N THR A 29 -0.771 -4.239 14.141 1.00 0.00 N ATOM 452 CA THR A 29 0.448 -4.999 14.390 1.00 0.00 C ATOM 453 C THR A 29 1.058 -5.493 13.083 1.00 0.00 C ATOM 454 O THR A 29 0.385 -6.132 12.275 1.00 0.00 O ATOM 455 CB THR A 29 0.155 -6.186 15.309 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.553 -5.765 16.461 1.00 0.00 O ATOM 457 CG2 THR A 29 1.403 -6.905 15.774 1.00 0.00 C ATOM 0 H THR A 29 -1.292 -4.537 13.316 1.00 0.00 H new ATOM 0 HA THR A 29 1.165 -4.338 14.878 1.00 0.00 H new ATOM 0 HB THR A 29 -0.440 -6.875 14.710 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.732 -6.538 17.036 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.124 -7.736 16.422 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.947 -7.286 14.910 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.038 -6.212 16.326 1.00 0.00 H new ATOM 465 N LEU A 30 2.337 -5.191 12.881 1.00 0.00 N ATOM 466 CA LEU A 30 3.037 -5.604 11.670 1.00 0.00 C ATOM 467 C LEU A 30 3.702 -6.964 11.863 1.00 0.00 C ATOM 468 O LEU A 30 4.248 -7.254 12.928 1.00 0.00 O ATOM 469 CB LEU A 30 4.084 -4.558 11.279 1.00 0.00 C ATOM 470 CG LEU A 30 3.669 -3.621 10.144 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.794 -2.652 9.814 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.273 -4.420 8.912 1.00 0.00 C ATOM 0 H LEU A 30 2.909 -4.662 13.540 1.00 0.00 H new ATOM 0 HA LEU A 30 2.305 -5.690 10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.321 -3.958 12.157 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.999 -5.073 10.988 1.00 0.00 H new ATOM 0 HG LEU A 30 2.804 -3.044 10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.481 -1.993 9.004 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.031 -2.056 10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.677 -3.211 9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.981 -3.737 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.119 -5.023 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.435 -5.073 9.156 1.00 0.00 H new ATOM 484 N SER A 31 3.650 -7.794 10.826 1.00 0.00 N ATOM 485 CA SER A 31 4.245 -9.124 10.880 1.00 0.00 C ATOM 486 C SER A 31 5.764 -9.038 11.001 1.00 0.00 C ATOM 487 O SER A 31 6.379 -8.074 10.547 1.00 0.00 O ATOM 488 CB SER A 31 3.867 -9.926 9.634 1.00 0.00 C ATOM 489 OG SER A 31 3.982 -11.319 9.868 1.00 0.00 O ATOM 0 H SER A 31 3.202 -7.569 9.938 1.00 0.00 H new ATOM 0 HA SER A 31 3.856 -9.632 11.763 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.845 -9.687 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.513 -9.639 8.804 1.00 0.00 H new ATOM 0 HG SER A 31 3.733 -11.809 9.056 1.00 0.00 H new ATOM 495 N ALA A 32 6.361 -10.054 11.617 1.00 0.00 N ATOM 496 CA ALA A 32 7.807 -10.095 11.799 1.00 0.00 C ATOM 497 C ALA A 32 8.532 -10.349 10.478 1.00 0.00 C ATOM 498 O ALA A 32 9.754 -10.225 10.399 1.00 0.00 O ATOM 499 CB ALA A 32 8.178 -11.163 12.817 1.00 0.00 C ATOM 0 H ALA A 32 5.865 -10.860 11.998 1.00 0.00 H new ATOM 0 HA ALA A 32 8.124 -9.121 12.170 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.260 -11.184 12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.705 -10.935 13.772 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.835 -12.136 12.465 1.00 0.00 H new ATOM 505 N ARG A 33 7.777 -10.708 9.442 1.00 0.00 N ATOM 506 CA ARG A 33 8.358 -10.979 8.131 1.00 0.00 C ATOM 507 C ARG A 33 8.318 -9.737 7.241 1.00 0.00 C ATOM 508 O ARG A 33 8.386 -9.841 6.017 1.00 0.00 O ATOM 509 CB ARG A 33 7.617 -12.134 7.453 1.00 0.00 C ATOM 510 CG ARG A 33 8.462 -13.388 7.295 1.00 0.00 C ATOM 511 CD ARG A 33 8.328 -13.982 5.902 1.00 0.00 C ATOM 512 NE ARG A 33 8.310 -15.443 5.929 1.00 0.00 N ATOM 513 CZ ARG A 33 9.393 -16.195 6.115 1.00 0.00 C ATOM 514 NH1 ARG A 33 10.580 -15.628 6.291 1.00 0.00 N ATOM 515 NH2 ARG A 33 9.288 -17.516 6.126 1.00 0.00 N ATOM 0 H ARG A 33 6.764 -10.818 9.486 1.00 0.00 H new ATOM 0 HA ARG A 33 9.401 -11.259 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.728 -12.376 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.276 -11.809 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.508 -13.150 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.159 -14.127 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.411 -13.617 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.157 -13.641 5.281 1.00 0.00 H new ATOM 0 HE ARG A 33 7.415 -15.914 5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.666 -14.612 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.406 -16.209 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.378 -17.956 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.117 -18.092 6.268 1.00 0.00 H new ATOM 529 N PHE A 34 8.210 -8.564 7.861 1.00 0.00 N ATOM 530 CA PHE A 34 8.163 -7.311 7.124 1.00 0.00 C ATOM 531 C PHE A 34 9.393 -7.152 6.236 1.00 0.00 C ATOM 532 O PHE A 34 10.494 -7.560 6.605 1.00 0.00 O ATOM 533 CB PHE A 34 8.068 -6.140 8.101 1.00 0.00 C ATOM 534 CG PHE A 34 9.225 -6.057 9.056 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.484 -5.684 8.611 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.053 -6.352 10.399 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.549 -5.607 9.488 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.115 -6.277 11.281 1.00 0.00 C ATOM 539 CZ PHE A 34 11.364 -5.904 10.824 1.00 0.00 C ATOM 0 H PHE A 34 8.154 -8.459 8.874 1.00 0.00 H new ATOM 0 HA PHE A 34 7.281 -7.321 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.007 -5.210 7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.143 -6.228 8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.634 -5.451 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.078 -6.644 10.761 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.525 -5.315 9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.968 -6.510 12.325 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.195 -5.845 11.511 1.00 0.00 H new ATOM 549 N ASP A 35 9.198 -6.557 5.063 1.00 0.00 N ATOM 550 CA ASP A 35 10.292 -6.344 4.123 1.00 0.00 C ATOM 551 C ASP A 35 10.506 -4.856 3.865 1.00 0.00 C ATOM 552 O ASP A 35 9.568 -4.133 3.529 1.00 0.00 O ATOM 553 CB ASP A 35 10.008 -7.069 2.805 1.00 0.00 C ATOM 554 CG ASP A 35 10.734 -8.396 2.708 1.00 0.00 C ATOM 555 OD1 ASP A 35 10.457 -9.287 3.539 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.581 -8.545 1.802 1.00 0.00 O ATOM 0 H ASP A 35 8.293 -6.214 4.741 1.00 0.00 H new ATOM 0 HA ASP A 35 11.202 -6.751 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.935 -7.237 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.306 -6.433 1.972 1.00 0.00 H new ATOM 561 N ARG A 36 11.746 -4.405 4.025 1.00 0.00 N ATOM 562 CA ARG A 36 12.083 -3.003 3.810 1.00 0.00 C ATOM 563 C ARG A 36 11.977 -2.634 2.333 1.00 0.00 C ATOM 564 O ARG A 36 11.752 -1.474 1.989 1.00 0.00 O ATOM 565 CB ARG A 36 13.497 -2.714 4.319 1.00 0.00 C ATOM 566 CG ARG A 36 13.733 -1.251 4.661 1.00 0.00 C ATOM 567 CD ARG A 36 14.475 -1.098 5.979 1.00 0.00 C ATOM 568 NE ARG A 36 15.685 -1.916 6.026 1.00 0.00 N ATOM 569 CZ ARG A 36 16.677 -1.723 6.892 1.00 0.00 C ATOM 570 NH1 ARG A 36 16.608 -0.743 7.784 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.742 -2.513 6.867 1.00 0.00 N ATOM 0 H ARG A 36 12.534 -4.990 4.303 1.00 0.00 H new ATOM 0 HA ARG A 36 11.370 -2.396 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.687 -3.321 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.217 -3.022 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.306 -0.778 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.777 -0.731 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.740 -0.051 6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.816 -1.379 6.800 1.00 0.00 H new ATOM 0 HE ARG A 36 15.775 -2.680 5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.791 -0.132 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.372 -0.600 8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.801 -3.268 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.502 -2.365 7.531 1.00 0.00 H new ATOM 585 N HIS A 37 12.140 -3.626 1.464 1.00 0.00 N ATOM 586 CA HIS A 37 12.062 -3.401 0.025 1.00 0.00 C ATOM 587 C HIS A 37 10.612 -3.278 -0.432 1.00 0.00 C ATOM 588 O HIS A 37 10.317 -2.595 -1.413 1.00 0.00 O ATOM 589 CB HIS A 37 12.752 -4.540 -0.728 1.00 0.00 C ATOM 590 CG HIS A 37 13.380 -4.112 -2.018 1.00 0.00 C ATOM 591 ND1 HIS A 37 12.813 -4.360 -3.251 1.00 0.00 N ATOM 592 CD2 HIS A 37 14.534 -3.446 -2.264 1.00 0.00 C ATOM 593 CE1 HIS A 37 13.591 -3.867 -4.198 1.00 0.00 C ATOM 594 NE2 HIS A 37 14.641 -3.307 -3.626 1.00 0.00 N ATOM 0 H HIS A 37 12.327 -4.593 1.731 1.00 0.00 H new ATOM 0 HA HIS A 37 12.573 -2.464 -0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.519 -4.976 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.023 -5.324 -0.931 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.238 -3.091 -1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.400 -3.914 -5.260 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.407 -2.846 -4.116 1.00 0.00 H new ATOM 603 N LEU A 38 9.710 -3.944 0.282 1.00 0.00 N ATOM 604 CA LEU A 38 8.292 -3.908 -0.055 1.00 0.00 C ATOM 605 C LEU A 38 7.570 -2.819 0.733 1.00 0.00 C ATOM 606 O LEU A 38 6.612 -2.219 0.246 1.00 0.00 O ATOM 607 CB LEU A 38 7.645 -5.267 0.222 1.00 0.00 C ATOM 608 CG LEU A 38 8.156 -6.417 -0.648 1.00 0.00 C ATOM 609 CD1 LEU A 38 8.014 -7.743 0.084 1.00 0.00 C ATOM 610 CD2 LEU A 38 7.410 -6.454 -1.973 1.00 0.00 C ATOM 0 H LEU A 38 9.936 -4.515 1.097 1.00 0.00 H new ATOM 0 HA LEU A 38 8.204 -3.680 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.808 -5.523 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.568 -5.175 0.080 1.00 0.00 H new ATOM 0 HG LEU A 38 9.213 -6.251 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.382 -8.550 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.593 -7.713 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.964 -7.918 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.786 -7.278 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.345 -6.597 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.563 -5.514 -2.503 1.00 0.00 H new ATOM 622 N PHE A 39 8.036 -2.570 1.952 1.00 0.00 N ATOM 623 CA PHE A 39 7.434 -1.553 2.808 1.00 0.00 C ATOM 624 C PHE A 39 8.447 -0.471 3.166 1.00 0.00 C ATOM 625 O PHE A 39 9.656 -0.680 3.061 1.00 0.00 O ATOM 626 CB PHE A 39 6.882 -2.193 4.083 1.00 0.00 C ATOM 627 CG PHE A 39 5.625 -2.985 3.863 1.00 0.00 C ATOM 628 CD1 PHE A 39 4.390 -2.356 3.841 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.678 -4.357 3.678 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.232 -3.082 3.638 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.523 -5.088 3.476 1.00 0.00 C ATOM 632 CZ PHE A 39 3.298 -4.450 3.455 1.00 0.00 C ATOM 0 H PHE A 39 8.828 -3.058 2.370 1.00 0.00 H new ATOM 0 HA PHE A 39 6.616 -1.089 2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.643 -2.846 4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.685 -1.411 4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.332 -1.287 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.633 -4.861 3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.276 -2.580 3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.578 -6.157 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.394 -5.019 3.296 1.00 0.00 H new ATOM 642 N GLN A 40 7.946 0.685 3.588 1.00 0.00 N ATOM 643 CA GLN A 40 8.808 1.801 3.962 1.00 0.00 C ATOM 644 C GLN A 40 9.384 1.598 5.361 1.00 0.00 C ATOM 645 O GLN A 40 8.943 0.720 6.103 1.00 0.00 O ATOM 646 CB GLN A 40 8.027 3.116 3.902 1.00 0.00 C ATOM 647 CG GLN A 40 8.371 3.972 2.693 1.00 0.00 C ATOM 648 CD GLN A 40 8.922 5.332 3.077 1.00 0.00 C ATOM 649 OE1 GLN A 40 9.554 5.486 4.122 1.00 0.00 O ATOM 650 NE2 GLN A 40 8.684 6.327 2.230 1.00 0.00 N ATOM 0 H GLN A 40 6.948 0.874 3.680 1.00 0.00 H new ATOM 0 HA GLN A 40 9.635 1.845 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.960 2.895 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.223 3.687 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.103 3.448 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.479 4.105 2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.155 6.154 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.030 7.265 2.434 1.00 0.00 H new ATOM 659 N THR A 41 10.371 2.415 5.713 1.00 0.00 N ATOM 660 CA THR A 41 11.007 2.326 7.022 1.00 0.00 C ATOM 661 C THR A 41 10.018 2.665 8.133 1.00 0.00 C ATOM 662 O THR A 41 10.133 2.167 9.253 1.00 0.00 O ATOM 663 CB THR A 41 12.211 3.267 7.092 1.00 0.00 C ATOM 664 OG1 THR A 41 12.787 3.247 8.386 1.00 0.00 O ATOM 665 CG2 THR A 41 11.867 4.704 6.764 1.00 0.00 C ATOM 0 H THR A 41 10.748 3.146 5.110 1.00 0.00 H new ATOM 0 HA THR A 41 11.347 1.300 7.163 1.00 0.00 H new ATOM 0 HB THR A 41 12.911 2.898 6.342 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.556 3.854 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.765 5.318 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.465 4.760 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.123 5.070 7.471 1.00 0.00 H new ATOM 673 N ARG A 42 9.047 3.516 7.816 1.00 0.00 N ATOM 674 CA ARG A 42 8.038 3.922 8.788 1.00 0.00 C ATOM 675 C ARG A 42 7.076 2.775 9.096 1.00 0.00 C ATOM 676 O ARG A 42 6.412 2.774 10.133 1.00 0.00 O ATOM 677 CB ARG A 42 7.260 5.134 8.268 1.00 0.00 C ATOM 678 CG ARG A 42 7.351 6.349 9.179 1.00 0.00 C ATOM 679 CD ARG A 42 7.696 7.609 8.399 1.00 0.00 C ATOM 680 NE ARG A 42 8.967 7.482 7.689 1.00 0.00 N ATOM 681 CZ ARG A 42 9.658 8.517 7.217 1.00 0.00 C ATOM 682 NH1 ARG A 42 9.205 9.755 7.375 1.00 0.00 N ATOM 683 NH2 ARG A 42 10.805 8.314 6.584 1.00 0.00 N ATOM 0 H ARG A 42 8.938 3.938 6.894 1.00 0.00 H new ATOM 0 HA ARG A 42 8.550 4.194 9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.636 5.401 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.212 4.859 8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.402 6.489 9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.108 6.175 9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.901 7.822 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.746 8.457 9.083 1.00 0.00 H new ATOM 0 HE ARG A 42 9.347 6.546 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.323 9.917 7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.739 10.544 7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.157 7.365 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.335 9.107 6.222 1.00 0.00 H new ATOM 697 N ALA A 43 7.005 1.802 8.192 1.00 0.00 N ATOM 698 CA ALA A 43 6.123 0.653 8.372 1.00 0.00 C ATOM 699 C ALA A 43 6.426 -0.075 9.677 1.00 0.00 C ATOM 700 O ALA A 43 7.237 -1.001 9.709 1.00 0.00 O ATOM 701 CB ALA A 43 6.253 -0.299 7.193 1.00 0.00 C ATOM 0 H ALA A 43 7.547 1.786 7.328 1.00 0.00 H new ATOM 0 HA ALA A 43 5.097 1.018 8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.590 -1.152 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.979 0.220 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.283 -0.648 7.119 1.00 0.00 H new ATOM 707 N THR A 44 5.768 0.348 10.752 1.00 0.00 N ATOM 708 CA THR A 44 5.966 -0.264 12.061 1.00 0.00 C ATOM 709 C THR A 44 4.708 -0.998 12.514 1.00 0.00 C ATOM 710 O THR A 44 4.785 -2.026 13.187 1.00 0.00 O ATOM 711 CB THR A 44 6.350 0.800 13.091 1.00 0.00 C ATOM 712 OG1 THR A 44 5.837 2.067 12.719 1.00 0.00 O ATOM 713 CG2 THR A 44 7.846 0.946 13.270 1.00 0.00 C ATOM 0 H THR A 44 5.093 1.112 10.742 1.00 0.00 H new ATOM 0 HA THR A 44 6.776 -0.988 11.978 1.00 0.00 H new ATOM 0 HB THR A 44 5.918 0.460 14.032 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.196 2.321 11.843 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.050 1.716 14.014 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.267 -0.002 13.605 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.300 1.229 12.320 1.00 0.00 H new ATOM 721 N THR A 45 3.550 -0.462 12.142 1.00 0.00 N ATOM 722 CA THR A 45 2.274 -1.064 12.510 1.00 0.00 C ATOM 723 C THR A 45 1.304 -1.045 11.332 1.00 0.00 C ATOM 724 O THR A 45 1.589 -0.453 10.291 1.00 0.00 O ATOM 725 CB THR A 45 1.663 -0.325 13.701 1.00 0.00 C ATOM 726 OG1 THR A 45 1.671 1.074 13.480 1.00 0.00 O ATOM 727 CG2 THR A 45 2.388 -0.587 15.003 1.00 0.00 C ATOM 0 H THR A 45 3.469 0.389 11.585 1.00 0.00 H new ATOM 0 HA THR A 45 2.457 -2.101 12.790 1.00 0.00 H new ATOM 0 HB THR A 45 0.645 -0.706 13.787 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.275 1.529 14.252 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.904 -0.033 15.807 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.358 -1.653 15.228 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.425 -0.264 14.913 1.00 0.00 H new ATOM 735 N LEU A 46 0.158 -1.696 11.503 1.00 0.00 N ATOM 736 CA LEU A 46 -0.853 -1.753 10.453 1.00 0.00 C ATOM 737 C LEU A 46 -1.324 -0.353 10.074 1.00 0.00 C ATOM 738 O LEU A 46 -1.377 -0.003 8.895 1.00 0.00 O ATOM 739 CB LEU A 46 -2.043 -2.602 10.907 1.00 0.00 C ATOM 740 CG LEU A 46 -1.930 -4.095 10.594 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.021 -4.876 11.310 1.00 0.00 C ATOM 742 CD2 LEU A 46 -2.001 -4.332 9.093 1.00 0.00 C ATOM 0 H LEU A 46 -0.094 -2.191 12.358 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.403 -2.214 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.167 -2.480 11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.947 -2.215 10.436 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.964 -4.449 10.953 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.924 -5.936 11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.924 -4.733 12.386 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.998 -4.520 10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.919 -5.400 8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.952 -3.962 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.183 -3.805 8.602 1.00 0.00 H new ATOM 754 N GLN A 47 -1.663 0.446 11.081 1.00 0.00 N ATOM 755 CA GLN A 47 -2.128 1.810 10.852 1.00 0.00 C ATOM 756 C GLN A 47 -1.070 2.627 10.118 1.00 0.00 C ATOM 757 O GLN A 47 -1.387 3.417 9.229 1.00 0.00 O ATOM 758 CB GLN A 47 -2.477 2.482 12.181 1.00 0.00 C ATOM 759 CG GLN A 47 -1.361 2.411 13.211 1.00 0.00 C ATOM 760 CD GLN A 47 -0.614 3.723 13.352 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.371 4.421 12.368 1.00 0.00 O ATOM 762 NE2 GLN A 47 -0.244 4.064 14.581 1.00 0.00 N ATOM 0 H GLN A 47 -1.625 0.173 12.063 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.023 1.764 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.723 3.528 11.996 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.370 2.012 12.593 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.780 2.130 14.177 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.660 1.626 12.928 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.467 3.455 15.368 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.263 4.935 14.738 1.00 0.00 H new ATOM 771 N ALA A 48 0.190 2.428 10.495 1.00 0.00 N ATOM 772 CA ALA A 48 1.295 3.145 9.871 1.00 0.00 C ATOM 773 C ALA A 48 1.441 2.754 8.404 1.00 0.00 C ATOM 774 O ALA A 48 1.762 3.588 7.558 1.00 0.00 O ATOM 775 CB ALA A 48 2.590 2.875 10.623 1.00 0.00 C ATOM 0 H ALA A 48 0.470 1.777 11.229 1.00 0.00 H new ATOM 0 HA ALA A 48 1.078 4.212 9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.407 3.417 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.487 3.208 11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.804 1.806 10.606 1.00 0.00 H new ATOM 781 N CYS A 49 1.202 1.480 8.111 1.00 0.00 N ATOM 782 CA CYS A 49 1.307 0.978 6.746 1.00 0.00 C ATOM 783 C CYS A 49 0.284 1.655 5.839 1.00 0.00 C ATOM 784 O CYS A 49 0.607 2.076 4.729 1.00 0.00 O ATOM 785 CB CYS A 49 1.104 -0.538 6.720 1.00 0.00 C ATOM 786 SG CYS A 49 2.632 -1.489 6.895 1.00 0.00 S ATOM 0 H CYS A 49 0.935 0.777 8.800 1.00 0.00 H new ATOM 0 HA CYS A 49 2.306 1.210 6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.421 -0.816 7.523 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.622 -0.814 5.782 1.00 0.00 H new ATOM 0 HG CYS A 49 3.035 -1.882 5.723 1.00 0.00 H new ATOM 792 N LEU A 50 -0.951 1.757 6.321 1.00 0.00 N ATOM 793 CA LEU A 50 -2.020 2.385 5.554 1.00 0.00 C ATOM 794 C LEU A 50 -1.687 3.842 5.250 1.00 0.00 C ATOM 795 O LEU A 50 -1.793 4.289 4.108 1.00 0.00 O ATOM 796 CB LEU A 50 -3.343 2.301 6.318 1.00 0.00 C ATOM 797 CG LEU A 50 -4.591 2.593 5.483 1.00 0.00 C ATOM 798 CD1 LEU A 50 -5.182 1.302 4.937 1.00 0.00 C ATOM 799 CD2 LEU A 50 -5.623 3.345 6.312 1.00 0.00 C ATOM 0 H LEU A 50 -1.235 1.413 7.238 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.119 1.849 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.436 1.303 6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.309 3.003 7.151 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.302 3.221 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.069 1.529 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.445 0.802 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.456 0.648 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.504 3.544 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.907 2.741 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.197 4.288 6.654 1.00 0.00 H new ATOM 811 N ASP A 51 -1.281 4.578 6.280 1.00 0.00 N ATOM 812 CA ASP A 51 -0.930 5.985 6.123 1.00 0.00 C ATOM 813 C ASP A 51 0.214 6.148 5.127 1.00 0.00 C ATOM 814 O ASP A 51 0.221 7.079 4.321 1.00 0.00 O ATOM 815 CB ASP A 51 -0.542 6.590 7.474 1.00 0.00 C ATOM 816 CG ASP A 51 -1.335 7.842 7.796 1.00 0.00 C ATOM 817 OD1 ASP A 51 -1.182 8.845 7.066 1.00 0.00 O ATOM 818 OD2 ASP A 51 -2.108 7.820 8.776 1.00 0.00 O ATOM 0 H ASP A 51 -1.187 4.224 7.232 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.802 6.513 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.701 5.851 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.522 6.828 7.470 1.00 0.00 H new ATOM 823 N GLU A 52 1.179 5.235 5.187 1.00 0.00 N ATOM 824 CA GLU A 52 2.326 5.276 4.289 1.00 0.00 C ATOM 825 C GLU A 52 1.881 5.127 2.838 1.00 0.00 C ATOM 826 O GLU A 52 2.423 5.773 1.942 1.00 0.00 O ATOM 827 CB GLU A 52 3.321 4.170 4.645 1.00 0.00 C ATOM 828 CG GLU A 52 4.252 4.535 5.790 1.00 0.00 C ATOM 829 CD GLU A 52 4.855 3.317 6.462 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.726 2.669 5.845 1.00 0.00 O ATOM 831 OE2 GLU A 52 4.456 3.012 7.605 1.00 0.00 O ATOM 0 H GLU A 52 1.189 4.458 5.848 1.00 0.00 H new ATOM 0 HA GLU A 52 2.814 6.243 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.769 3.268 4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.918 3.932 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.053 5.171 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.702 5.118 6.529 1.00 0.00 H new ATOM 838 N ALA A 53 0.887 4.273 2.616 1.00 0.00 N ATOM 839 CA ALA A 53 0.365 4.040 1.276 1.00 0.00 C ATOM 840 C ALA A 53 -0.286 5.302 0.719 1.00 0.00 C ATOM 841 O ALA A 53 -0.075 5.663 -0.439 1.00 0.00 O ATOM 842 CB ALA A 53 -0.630 2.889 1.289 1.00 0.00 C ATOM 0 H ALA A 53 0.427 3.731 3.348 1.00 0.00 H new ATOM 0 HA ALA A 53 1.199 3.774 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.012 2.727 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.135 1.984 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.458 3.131 1.956 1.00 0.00 H new ATOM 848 N GLY A 54 -1.077 5.970 1.553 1.00 0.00 N ATOM 849 CA GLY A 54 -1.744 7.186 1.127 1.00 0.00 C ATOM 850 C GLY A 54 -0.764 8.272 0.730 1.00 0.00 C ATOM 851 O GLY A 54 -0.986 8.992 -0.244 1.00 0.00 O ATOM 0 H GLY A 54 -1.268 5.691 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.397 6.963 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.380 7.551 1.934 1.00 0.00 H new ATOM 855 N ASP A 55 0.324 8.388 1.485 1.00 0.00 N ATOM 856 CA ASP A 55 1.343 9.392 1.206 1.00 0.00 C ATOM 857 C ASP A 55 2.132 9.030 -0.048 1.00 0.00 C ATOM 858 O ASP A 55 2.590 9.907 -0.781 1.00 0.00 O ATOM 859 CB ASP A 55 2.293 9.530 2.397 1.00 0.00 C ATOM 860 CG ASP A 55 3.032 10.854 2.398 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.385 11.895 2.640 1.00 0.00 O ATOM 862 OD2 ASP A 55 4.257 10.850 2.156 1.00 0.00 O ATOM 0 H ASP A 55 0.522 7.799 2.294 1.00 0.00 H new ATOM 0 HA ASP A 55 0.842 10.345 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.726 9.433 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.015 8.714 2.378 1.00 0.00 H new ATOM 867 N ASN A 56 2.284 7.732 -0.290 1.00 0.00 N ATOM 868 CA ASN A 56 3.017 7.251 -1.456 1.00 0.00 C ATOM 869 C ASN A 56 2.288 7.619 -2.744 1.00 0.00 C ATOM 870 O ASN A 56 2.860 8.247 -3.635 1.00 0.00 O ATOM 871 CB ASN A 56 3.205 5.735 -1.376 1.00 0.00 C ATOM 872 CG ASN A 56 4.534 5.349 -0.758 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.588 5.837 -1.168 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.492 4.468 0.235 1.00 0.00 N ATOM 0 H ASN A 56 1.909 6.994 0.306 1.00 0.00 H new ATOM 0 HA ASN A 56 3.996 7.730 -1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.395 5.302 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.136 5.310 -2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.355 4.170 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.597 4.089 0.543 1.00 0.00 H new ATOM 881 N LEU A 57 1.022 7.225 -2.835 1.00 0.00 N ATOM 882 CA LEU A 57 0.215 7.514 -4.015 1.00 0.00 C ATOM 883 C LEU A 57 0.058 9.019 -4.208 1.00 0.00 C ATOM 884 O LEU A 57 0.066 9.514 -5.335 1.00 0.00 O ATOM 885 CB LEU A 57 -1.161 6.856 -3.894 1.00 0.00 C ATOM 886 CG LEU A 57 -1.945 7.222 -2.632 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.804 8.454 -2.875 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.804 6.049 -2.182 1.00 0.00 C ATOM 0 H LEU A 57 0.533 6.705 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 57 0.728 7.104 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.756 7.130 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.033 5.774 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.234 7.453 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.354 8.699 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.166 9.294 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.508 8.253 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.355 6.325 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.507 5.788 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.166 5.192 -1.967 1.00 0.00 H new ATOM 900 N ALA A 58 -0.084 9.740 -3.101 1.00 0.00 N ATOM 901 CA ALA A 58 -0.241 11.189 -3.150 1.00 0.00 C ATOM 902 C ALA A 58 1.020 11.857 -3.688 1.00 0.00 C ATOM 903 O ALA A 58 0.948 12.838 -4.427 1.00 0.00 O ATOM 904 CB ALA A 58 -0.579 11.729 -1.769 1.00 0.00 C ATOM 0 H ALA A 58 -0.094 9.346 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.062 11.420 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.693 12.812 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.510 11.282 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.224 11.481 -1.075 1.00 0.00 H new ATOM 910 N ALA A 59 2.175 11.317 -3.312 1.00 0.00 N ATOM 911 CA ALA A 59 3.452 11.859 -3.758 1.00 0.00 C ATOM 912 C ALA A 59 3.712 11.515 -5.220 1.00 0.00 C ATOM 913 O ALA A 59 4.312 12.299 -5.955 1.00 0.00 O ATOM 914 CB ALA A 59 4.581 11.338 -2.882 1.00 0.00 C ATOM 0 H ALA A 59 2.252 10.505 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 59 3.410 12.945 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.529 11.751 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.408 11.639 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.616 10.250 -2.942 1.00 0.00 H new ATOM 920 N LEU A 60 3.254 10.339 -5.637 1.00 0.00 N ATOM 921 CA LEU A 60 3.436 9.892 -7.013 1.00 0.00 C ATOM 922 C LEU A 60 2.585 10.723 -7.969 1.00 0.00 C ATOM 923 O LEU A 60 3.014 11.048 -9.076 1.00 0.00 O ATOM 924 CB LEU A 60 3.074 8.412 -7.145 1.00 0.00 C ATOM 925 CG LEU A 60 3.303 7.810 -8.534 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.828 6.386 -8.422 1.00 0.00 C ATOM 927 CD2 LEU A 60 2.016 7.844 -9.346 1.00 0.00 C ATOM 0 H LEU A 60 2.754 9.679 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 60 4.485 10.025 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.657 7.845 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.024 8.285 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 60 4.053 8.410 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.984 5.976 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.773 6.388 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.103 5.772 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.196 7.413 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.246 7.268 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.683 8.876 -9.457 1.00 0.00 H new ATOM 939 N ARG A 61 1.377 11.064 -7.532 1.00 0.00 N ATOM 940 CA ARG A 61 0.466 11.858 -8.347 1.00 0.00 C ATOM 941 C ARG A 61 0.957 13.298 -8.461 1.00 0.00 C ATOM 942 O ARG A 61 0.914 13.895 -9.536 1.00 0.00 O ATOM 943 CB ARG A 61 -0.942 11.832 -7.749 1.00 0.00 C ATOM 944 CG ARG A 61 -2.045 11.996 -8.783 1.00 0.00 C ATOM 945 CD ARG A 61 -3.193 11.028 -8.539 1.00 0.00 C ATOM 946 NE ARG A 61 -4.396 11.712 -8.071 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.231 12.374 -8.869 1.00 0.00 C ATOM 948 NH1 ARG A 61 -4.996 12.446 -10.173 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.304 12.966 -8.362 1.00 0.00 N ATOM 0 H ARG A 61 1.007 10.803 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 61 0.436 11.422 -9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.087 10.889 -7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.028 12.627 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.420 13.019 -8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.636 11.832 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.417 10.491 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.889 10.284 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.609 11.681 -7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.172 11.993 -10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.639 12.955 -10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.490 12.914 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.944 13.473 -8.974 1.00 0.00 H new ATOM 963 N HIS A 62 1.425 13.848 -7.346 1.00 0.00 N ATOM 964 CA HIS A 62 1.927 15.217 -7.319 1.00 0.00 C ATOM 965 C HIS A 62 3.323 15.299 -7.929 1.00 0.00 C ATOM 966 O HIS A 62 3.725 16.342 -8.445 1.00 0.00 O ATOM 967 CB HIS A 62 1.955 15.742 -5.882 1.00 0.00 C ATOM 968 CG HIS A 62 2.327 17.189 -5.780 1.00 0.00 C ATOM 969 ND1 HIS A 62 1.399 18.209 -5.805 1.00 0.00 N ATOM 970 CD2 HIS A 62 3.536 17.786 -5.650 1.00 0.00 C ATOM 971 CE1 HIS A 62 2.020 19.370 -5.695 1.00 0.00 C ATOM 972 NE2 HIS A 62 3.317 19.141 -5.600 1.00 0.00 N ATOM 0 H HIS A 62 1.467 13.366 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 62 1.255 15.836 -7.913 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.974 15.595 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.664 15.151 -5.302 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.493 17.289 -5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.547 20.341 -5.685 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.039 19.855 -5.505 1.00 0.00 H new ATOM 981 N ALA A 63 4.060 14.193 -7.863 1.00 0.00 N ATOM 982 CA ALA A 63 5.413 14.139 -8.406 1.00 0.00 C ATOM 983 C ALA A 63 5.437 14.525 -9.882 1.00 0.00 C ATOM 984 O ALA A 63 6.381 15.160 -10.351 1.00 0.00 O ATOM 985 CB ALA A 63 6.002 12.750 -8.211 1.00 0.00 C ATOM 0 H ALA A 63 3.742 13.322 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 63 6.022 14.862 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.012 12.722 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.035 12.515 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.382 12.016 -8.726 1.00 0.00 H new ATOM 991 N VAL A 64 4.395 14.135 -10.611 1.00 0.00 N ATOM 992 CA VAL A 64 4.302 14.439 -12.035 1.00 0.00 C ATOM 993 C VAL A 64 4.460 15.935 -12.295 1.00 0.00 C ATOM 994 O VAL A 64 4.931 16.344 -13.357 1.00 0.00 O ATOM 995 CB VAL A 64 2.961 13.963 -12.627 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.809 12.459 -12.461 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.796 14.698 -11.980 1.00 0.00 C ATOM 0 H VAL A 64 3.604 13.609 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 64 5.116 13.903 -12.523 1.00 0.00 H new ATOM 0 HB VAL A 64 2.956 14.192 -13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.856 12.141 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.624 11.952 -12.978 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.838 12.205 -11.401 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.859 14.347 -12.412 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.795 14.506 -10.907 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.898 15.769 -12.156 1.00 0.00 H new ATOM 1007 N GLU A 65 4.064 16.746 -11.320 1.00 0.00 N ATOM 1008 CA GLU A 65 4.163 18.196 -11.443 1.00 0.00 C ATOM 1009 C GLU A 65 5.612 18.658 -11.319 1.00 0.00 C ATOM 1010 O GLU A 65 5.988 19.699 -11.857 1.00 0.00 O ATOM 1011 CB GLU A 65 3.305 18.878 -10.376 1.00 0.00 C ATOM 1012 CG GLU A 65 2.662 20.172 -10.849 1.00 0.00 C ATOM 1013 CD GLU A 65 1.215 19.988 -11.259 1.00 0.00 C ATOM 1014 OE1 GLU A 65 0.924 19.024 -11.998 1.00 0.00 O ATOM 1015 OE2 GLU A 65 0.371 20.809 -10.841 1.00 0.00 O ATOM 0 H GLU A 65 3.671 16.424 -10.435 1.00 0.00 H new ATOM 0 HA GLU A 65 3.796 18.477 -12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.523 18.189 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.923 19.087 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.718 20.914 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.227 20.567 -11.693 1.00 0.00 H new ATOM 1022 N GLN A 66 6.421 17.880 -10.606 1.00 0.00 N ATOM 1023 CA GLN A 66 7.828 18.214 -10.413 1.00 0.00 C ATOM 1024 C GLN A 66 8.711 17.495 -11.430 1.00 0.00 C ATOM 1025 O GLN A 66 9.911 17.326 -11.212 1.00 0.00 O ATOM 1026 CB GLN A 66 8.268 17.852 -8.994 1.00 0.00 C ATOM 1027 CG GLN A 66 9.424 18.695 -8.481 1.00 0.00 C ATOM 1028 CD GLN A 66 9.030 20.139 -8.240 1.00 0.00 C ATOM 1029 OE1 GLN A 66 9.101 20.954 -9.285 1.00 0.00 O flip ATOM 1030 NE2 GLN A 66 8.666 20.517 -7.126 1.00 0.00 N flip ATOM 0 H GLN A 66 6.127 17.015 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 66 7.941 19.288 -10.562 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.419 17.965 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.557 16.801 -8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.799 18.265 -7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.242 18.661 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.626 19.855 -6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.404 21.492 -6.979 1.00 0.00 H new ATOM 1039 N GLN A 67 8.114 17.073 -12.541 1.00 0.00 N ATOM 1040 CA GLN A 67 8.853 16.375 -13.587 1.00 0.00 C ATOM 1041 C GLN A 67 9.501 15.104 -13.044 1.00 0.00 C ATOM 1042 O GLN A 67 10.659 14.809 -13.341 1.00 0.00 O ATOM 1043 CB GLN A 67 9.922 17.294 -14.183 1.00 0.00 C ATOM 1044 CG GLN A 67 9.354 18.547 -14.828 1.00 0.00 C ATOM 1045 CD GLN A 67 8.491 18.241 -16.037 1.00 0.00 C ATOM 1046 OE1 GLN A 67 7.236 17.881 -15.793 1.00 0.00 O flip ATOM 1047 NE2 GLN A 67 8.947 18.326 -17.177 1.00 0.00 N flip ATOM 0 H GLN A 67 7.122 17.202 -12.740 1.00 0.00 H new ATOM 0 HA GLN A 67 8.148 16.093 -14.369 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.620 17.584 -13.397 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.493 16.739 -14.927 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.763 19.093 -14.093 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.173 19.200 -15.127 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.917 18.606 -17.319 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.354 18.116 -17.980 1.00 0.00 H new ATOM 1056 N GLN A 68 8.745 14.354 -12.250 1.00 0.00 N ATOM 1057 CA GLN A 68 9.243 13.113 -11.668 1.00 0.00 C ATOM 1058 C GLN A 68 8.723 11.908 -12.445 1.00 0.00 C ATOM 1059 O GLN A 68 8.408 10.869 -11.865 1.00 0.00 O ATOM 1060 CB GLN A 68 8.828 13.010 -10.199 1.00 0.00 C ATOM 1061 CG GLN A 68 9.871 13.549 -9.233 1.00 0.00 C ATOM 1062 CD GLN A 68 9.928 12.760 -7.939 1.00 0.00 C ATOM 1063 OE1 GLN A 68 9.081 11.905 -7.681 1.00 0.00 O ATOM 1064 NE2 GLN A 68 10.932 13.044 -7.117 1.00 0.00 N ATOM 0 H GLN A 68 7.785 14.584 -11.994 1.00 0.00 H new ATOM 0 HA GLN A 68 10.331 13.120 -11.727 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.895 13.555 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.628 11.966 -9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.850 13.527 -9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.649 14.592 -9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.612 13.761 -7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.023 12.545 -6.232 1.00 0.00 H new ATOM 1073 N LEU A 69 8.635 12.058 -13.762 1.00 0.00 N ATOM 1074 CA LEU A 69 8.152 10.988 -14.627 1.00 0.00 C ATOM 1075 C LEU A 69 8.961 9.705 -14.432 1.00 0.00 C ATOM 1076 O LEU A 69 8.402 8.658 -14.105 1.00 0.00 O ATOM 1077 CB LEU A 69 8.204 11.427 -16.092 1.00 0.00 C ATOM 1078 CG LEU A 69 7.082 12.374 -16.520 1.00 0.00 C ATOM 1079 CD1 LEU A 69 7.413 13.026 -17.854 1.00 0.00 C ATOM 1080 CD2 LEU A 69 5.759 11.628 -16.602 1.00 0.00 C ATOM 0 H LEU A 69 8.893 12.913 -14.255 1.00 0.00 H new ATOM 0 HA LEU A 69 7.118 10.778 -14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.161 11.914 -16.276 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.171 10.539 -16.724 1.00 0.00 H new ATOM 0 HG LEU A 69 6.988 13.159 -15.770 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.603 13.696 -18.142 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.339 13.594 -17.762 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.535 12.255 -18.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.971 12.317 -16.908 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.840 10.822 -17.332 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.516 11.210 -15.625 1.00 0.00 H new ATOM 1092 N PRO A 70 10.292 9.762 -14.630 1.00 0.00 N ATOM 1093 CA PRO A 70 11.160 8.589 -14.470 1.00 0.00 C ATOM 1094 C PRO A 70 11.153 8.051 -13.042 1.00 0.00 C ATOM 1095 O PRO A 70 11.467 6.884 -12.807 1.00 0.00 O ATOM 1096 CB PRO A 70 12.554 9.111 -14.839 1.00 0.00 C ATOM 1097 CG PRO A 70 12.469 10.589 -14.679 1.00 0.00 C ATOM 1098 CD PRO A 70 11.055 10.961 -15.021 1.00 0.00 C ATOM 0 HA PRO A 70 10.829 7.756 -15.090 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.319 8.687 -14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.819 8.840 -15.861 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.715 10.886 -13.659 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.176 11.094 -15.337 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.727 11.844 -14.474 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.942 11.183 -16.082 1.00 0.00 H new ATOM 1106 N GLN A 71 10.792 8.907 -12.091 1.00 0.00 N ATOM 1107 CA GLN A 71 10.743 8.514 -10.687 1.00 0.00 C ATOM 1108 C GLN A 71 9.498 7.681 -10.395 1.00 0.00 C ATOM 1109 O GLN A 71 9.490 6.862 -9.476 1.00 0.00 O ATOM 1110 CB GLN A 71 10.767 9.754 -9.789 1.00 0.00 C ATOM 1111 CG GLN A 71 11.715 9.631 -8.607 1.00 0.00 C ATOM 1112 CD GLN A 71 13.088 10.201 -8.901 1.00 0.00 C ATOM 1113 OE1 GLN A 71 13.518 11.169 -8.275 1.00 0.00 O ATOM 1114 NE2 GLN A 71 13.786 9.601 -9.859 1.00 0.00 N ATOM 0 H GLN A 71 10.529 9.877 -12.267 1.00 0.00 H new ATOM 0 HA GLN A 71 11.621 7.903 -10.476 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.055 10.619 -10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.760 9.943 -9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.287 10.147 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.813 8.581 -8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.391 8.801 -10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.717 9.940 -10.101 1.00 0.00 H new ATOM 1123 N VAL A 72 8.447 7.896 -11.181 1.00 0.00 N ATOM 1124 CA VAL A 72 7.196 7.166 -11.006 1.00 0.00 C ATOM 1125 C VAL A 72 7.419 5.657 -11.062 1.00 0.00 C ATOM 1126 O VAL A 72 6.655 4.887 -10.482 1.00 0.00 O ATOM 1127 CB VAL A 72 6.162 7.560 -12.078 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.813 6.924 -11.780 1.00 0.00 C ATOM 1129 CG2 VAL A 72 6.039 9.075 -12.174 1.00 0.00 C ATOM 0 H VAL A 72 8.437 8.571 -11.946 1.00 0.00 H new ATOM 0 HA VAL A 72 6.812 7.434 -10.022 1.00 0.00 H new ATOM 0 HB VAL A 72 6.507 7.187 -13.042 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.096 7.214 -12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.916 5.839 -11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.458 7.262 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.304 9.333 -12.937 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.720 9.476 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.005 9.502 -12.442 1.00 0.00 H new ATOM 1139 N ALA A 73 8.468 5.242 -11.765 1.00 0.00 N ATOM 1140 CA ALA A 73 8.786 3.825 -11.894 1.00 0.00 C ATOM 1141 C ALA A 73 9.036 3.190 -10.530 1.00 0.00 C ATOM 1142 O ALA A 73 8.445 2.163 -10.195 1.00 0.00 O ATOM 1143 CB ALA A 73 9.997 3.638 -12.796 1.00 0.00 C ATOM 0 H ALA A 73 9.111 5.866 -12.253 1.00 0.00 H new ATOM 0 HA ALA A 73 7.929 3.325 -12.345 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.224 2.576 -12.884 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.782 4.046 -13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.854 4.158 -12.367 1.00 0.00 H new ATOM 1149 N TRP A 74 9.914 3.807 -9.747 1.00 0.00 N ATOM 1150 CA TRP A 74 10.242 3.302 -8.419 1.00 0.00 C ATOM 1151 C TRP A 74 9.055 3.448 -7.473 1.00 0.00 C ATOM 1152 O TRP A 74 8.758 2.547 -6.689 1.00 0.00 O ATOM 1153 CB TRP A 74 11.455 4.046 -7.855 1.00 0.00 C ATOM 1154 CG TRP A 74 12.438 3.148 -7.168 1.00 0.00 C ATOM 1155 CD1 TRP A 74 13.067 2.060 -7.701 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.904 3.260 -5.818 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.896 1.489 -6.767 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.814 2.207 -5.602 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.641 4.148 -4.772 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.461 2.021 -4.383 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.284 3.962 -3.562 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.185 2.905 -3.377 1.00 0.00 C ATOM 0 H TRP A 74 10.412 4.658 -10.009 1.00 0.00 H new ATOM 0 HA TRP A 74 10.483 2.243 -8.508 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.959 4.571 -8.666 1.00 0.00 H new ATOM 0 HB3 TRP A 74 11.112 4.803 -7.150 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.932 1.701 -8.710 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.478 0.665 -6.916 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.948 4.965 -4.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.156 1.207 -4.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.089 4.642 -2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.671 2.786 -2.420 1.00 0.00 H new ATOM 1173 N LEU A 75 8.379 4.590 -7.552 1.00 0.00 N ATOM 1174 CA LEU A 75 7.224 4.856 -6.703 1.00 0.00 C ATOM 1175 C LEU A 75 6.095 3.872 -6.993 1.00 0.00 C ATOM 1176 O LEU A 75 5.400 3.423 -6.081 1.00 0.00 O ATOM 1177 CB LEU A 75 6.733 6.290 -6.913 1.00 0.00 C ATOM 1178 CG LEU A 75 7.519 7.362 -6.152 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.952 8.477 -7.092 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.689 7.922 -5.006 1.00 0.00 C ATOM 0 H LEU A 75 8.612 5.346 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 75 7.531 4.731 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.773 6.519 -7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.687 6.347 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 75 8.413 6.899 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.509 9.229 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.586 8.065 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.072 8.937 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.264 8.682 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.776 8.368 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.431 7.118 -4.317 1.00 0.00 H new ATOM 1192 N ALA A 76 5.918 3.541 -8.268 1.00 0.00 N ATOM 1193 CA ALA A 76 4.873 2.611 -8.679 1.00 0.00 C ATOM 1194 C ALA A 76 5.134 1.213 -8.129 1.00 0.00 C ATOM 1195 O ALA A 76 4.236 0.574 -7.580 1.00 0.00 O ATOM 1196 CB ALA A 76 4.770 2.572 -10.196 1.00 0.00 C ATOM 0 H ALA A 76 6.485 3.903 -9.035 1.00 0.00 H new ATOM 0 HA ALA A 76 3.926 2.963 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.986 1.874 -10.490 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.529 3.567 -10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.721 2.247 -10.617 1.00 0.00 H new ATOM 1202 N GLU A 77 6.367 0.742 -8.282 1.00 0.00 N ATOM 1203 CA GLU A 77 6.745 -0.582 -7.803 1.00 0.00 C ATOM 1204 C GLU A 77 6.526 -0.702 -6.297 1.00 0.00 C ATOM 1205 O GLU A 77 6.060 -1.731 -5.808 1.00 0.00 O ATOM 1206 CB GLU A 77 8.209 -0.872 -8.145 1.00 0.00 C ATOM 1207 CG GLU A 77 8.413 -2.188 -8.877 1.00 0.00 C ATOM 1208 CD GLU A 77 9.643 -2.179 -9.763 1.00 0.00 C ATOM 1209 OE1 GLU A 77 9.770 -1.254 -10.592 1.00 0.00 O ATOM 1210 OE2 GLU A 77 10.480 -3.096 -9.627 1.00 0.00 O ATOM 0 H GLU A 77 7.122 1.258 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 77 6.111 -1.316 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.598 -0.060 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.793 -0.883 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.500 -2.994 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.534 -2.401 -9.485 1.00 0.00 H new ATOM 1217 N HIS A 78 6.867 0.355 -5.568 1.00 0.00 N ATOM 1218 CA HIS A 78 6.708 0.368 -4.118 1.00 0.00 C ATOM 1219 C HIS A 78 5.232 0.369 -3.731 1.00 0.00 C ATOM 1220 O HIS A 78 4.817 -0.355 -2.827 1.00 0.00 O ATOM 1221 CB HIS A 78 7.406 1.591 -3.520 1.00 0.00 C ATOM 1222 CG HIS A 78 7.790 1.420 -2.083 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.731 2.210 -1.456 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.354 0.543 -1.147 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.858 1.827 -0.198 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.034 0.818 0.015 1.00 0.00 N ATOM 0 H HIS A 78 7.255 1.214 -5.957 1.00 0.00 H new ATOM 0 HA HIS A 78 7.167 -0.536 -3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.301 1.809 -4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.748 2.455 -3.611 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.248 2.971 -1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.611 -0.228 -1.288 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.523 2.265 0.532 1.00 0.00 H new ATOM 1235 N LEU A 79 4.445 1.189 -4.421 1.00 0.00 N ATOM 1236 CA LEU A 79 3.016 1.286 -4.149 1.00 0.00 C ATOM 1237 C LEU A 79 2.327 -0.060 -4.360 1.00 0.00 C ATOM 1238 O LEU A 79 1.618 -0.549 -3.481 1.00 0.00 O ATOM 1239 CB LEU A 79 2.376 2.346 -5.048 1.00 0.00 C ATOM 1240 CG LEU A 79 2.330 3.756 -4.455 1.00 0.00 C ATOM 1241 CD1 LEU A 79 2.517 4.800 -5.546 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.018 3.981 -3.719 1.00 0.00 C ATOM 0 H LEU A 79 4.773 1.796 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 79 2.890 1.578 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.925 2.382 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.359 2.034 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 79 3.147 3.857 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.481 5.797 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.482 4.651 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.722 4.701 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.002 4.989 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.186 3.862 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.924 3.254 -2.912 1.00 0.00 H new ATOM 1254 N ALA A 80 2.540 -0.651 -5.531 1.00 0.00 N ATOM 1255 CA ALA A 80 1.939 -1.938 -5.858 1.00 0.00 C ATOM 1256 C ALA A 80 2.355 -3.012 -4.858 1.00 0.00 C ATOM 1257 O ALA A 80 1.517 -3.746 -4.336 1.00 0.00 O ATOM 1258 CB ALA A 80 2.321 -2.353 -7.271 1.00 0.00 C ATOM 0 H ALA A 80 3.124 -0.259 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 80 0.856 -1.829 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.866 -3.316 -7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.966 -1.604 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.405 -2.437 -7.345 1.00 0.00 H new ATOM 1264 N ALA A 81 3.656 -3.098 -4.598 1.00 0.00 N ATOM 1265 CA ALA A 81 4.185 -4.083 -3.662 1.00 0.00 C ATOM 1266 C ALA A 81 3.573 -3.910 -2.276 1.00 0.00 C ATOM 1267 O ALA A 81 3.167 -4.883 -1.640 1.00 0.00 O ATOM 1268 CB ALA A 81 5.701 -3.978 -3.589 1.00 0.00 C ATOM 0 H ALA A 81 4.363 -2.497 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 81 3.916 -5.075 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.084 -4.719 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.126 -4.160 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.981 -2.980 -3.252 1.00 0.00 H new ATOM 1274 N GLN A 82 3.511 -2.667 -1.812 1.00 0.00 N ATOM 1275 CA GLN A 82 2.950 -2.367 -0.500 1.00 0.00 C ATOM 1276 C GLN A 82 1.491 -2.803 -0.417 1.00 0.00 C ATOM 1277 O GLN A 82 1.100 -3.525 0.500 1.00 0.00 O ATOM 1278 CB GLN A 82 3.065 -0.870 -0.204 1.00 0.00 C ATOM 1279 CG GLN A 82 3.354 -0.559 1.255 1.00 0.00 C ATOM 1280 CD GLN A 82 3.610 0.915 1.497 1.00 0.00 C ATOM 1281 OE1 GLN A 82 2.540 1.677 1.693 1.00 0.00 O flip ATOM 1282 NE2 GLN A 82 4.756 1.365 1.508 1.00 0.00 N flip ATOM 0 H GLN A 82 3.843 -1.850 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 82 3.518 -2.923 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.857 -0.446 -0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.137 -0.378 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.511 -0.883 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.222 -1.133 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.550 0.743 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.912 2.360 1.672 1.00 0.00 H new ATOM 1291 N LEU A 83 0.689 -2.357 -1.379 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.728 -2.700 -1.414 1.00 0.00 C ATOM 1293 C LEU A 83 -0.925 -4.211 -1.491 1.00 0.00 C ATOM 1294 O LEU A 83 -1.762 -4.774 -0.785 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.407 -2.021 -2.606 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.776 -1.406 -2.307 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.341 -0.731 -3.547 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.735 -2.468 -1.791 1.00 0.00 C ATOM 0 H LEU A 83 0.997 -1.757 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.185 -2.343 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.748 -1.238 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.521 -2.753 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.652 -0.649 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.315 -0.300 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.663 0.058 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.451 -1.467 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.704 -2.013 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.854 -3.248 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.336 -2.905 -0.876 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.152 -4.861 -2.354 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.244 -6.307 -2.523 1.00 0.00 C ATOM 1312 C GLU A 84 0.111 -7.032 -1.229 1.00 0.00 C ATOM 1313 O GLU A 84 -0.557 -7.990 -0.839 1.00 0.00 O ATOM 1314 CB GLU A 84 0.681 -6.770 -3.652 1.00 0.00 C ATOM 1315 CG GLU A 84 0.057 -7.819 -4.558 1.00 0.00 C ATOM 1316 CD GLU A 84 0.803 -7.976 -5.868 1.00 0.00 C ATOM 1317 OE1 GLU A 84 1.257 -6.950 -6.419 1.00 0.00 O ATOM 1318 OE2 GLU A 84 0.933 -9.123 -6.344 1.00 0.00 O ATOM 0 H GLU A 84 0.545 -4.410 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.274 -6.551 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.967 -5.907 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.596 -7.174 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.037 -8.777 -4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.978 -7.547 -4.764 1.00 0.00 H new ATOM 1325 N ALA A 85 1.167 -6.570 -0.567 1.00 0.00 N ATOM 1326 CA ALA A 85 1.610 -7.175 0.683 1.00 0.00 C ATOM 1327 C ALA A 85 0.544 -7.047 1.765 1.00 0.00 C ATOM 1328 O ALA A 85 0.247 -8.008 2.475 1.00 0.00 O ATOM 1329 CB ALA A 85 2.912 -6.537 1.144 1.00 0.00 C ATOM 0 H ALA A 85 1.732 -5.779 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 85 1.780 -8.237 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.232 -6.998 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.679 -6.686 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.759 -5.469 1.300 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.028 -5.854 1.886 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.061 -5.600 2.883 1.00 0.00 C ATOM 1337 C ILE A 86 -2.293 -6.464 2.632 1.00 0.00 C ATOM 1338 O ILE A 86 -2.851 -7.052 3.559 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.481 -4.116 2.892 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.253 -3.215 3.031 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.469 -3.849 4.018 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.361 -1.922 2.252 1.00 0.00 C ATOM 0 H ILE A 86 0.206 -5.048 1.306 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.634 -5.855 3.853 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.970 -3.889 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.100 -2.983 4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.628 -3.761 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.755 -2.797 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.356 -4.467 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.005 -4.091 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.545 -1.333 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.483 -2.145 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.222 -1.355 2.605 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.712 -6.536 1.373 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.878 -7.328 1.001 1.00 0.00 C ATOM 1356 C ALA A 87 -3.667 -8.805 1.317 1.00 0.00 C ATOM 1357 O ALA A 87 -4.554 -9.467 1.856 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.190 -7.142 -0.476 1.00 0.00 C ATOM 0 H ALA A 87 -2.262 -6.056 0.594 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.726 -6.978 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.063 -7.739 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.395 -6.090 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.336 -7.464 -1.072 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.488 -9.315 0.978 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.161 -10.715 1.225 1.00 0.00 C ATOM 1366 C ARG A 88 -2.042 -10.992 2.721 1.00 0.00 C ATOM 1367 O ARG A 88 -2.585 -11.974 3.225 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.857 -11.087 0.516 1.00 0.00 C ATOM 1369 CG ARG A 88 -1.055 -12.016 -0.671 1.00 0.00 C ATOM 1370 CD ARG A 88 -1.385 -13.432 -0.224 1.00 0.00 C ATOM 1371 NE ARG A 88 -0.413 -14.403 -0.719 1.00 0.00 N ATOM 1372 CZ ARG A 88 -0.258 -15.623 -0.210 1.00 0.00 C ATOM 1373 NH1 ARG A 88 -1.009 -16.025 0.807 1.00 0.00 N ATOM 1374 NH2 ARG A 88 0.650 -16.444 -0.721 1.00 0.00 N ATOM 0 H ARG A 88 -1.743 -8.780 0.532 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.970 -11.328 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.365 -10.176 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.187 -11.563 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.859 -11.636 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.151 -12.027 -1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.414 -13.471 0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.380 -13.702 -0.579 1.00 0.00 H new ATOM 0 HE ARG A 88 0.182 -14.130 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.710 -15.398 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.886 -16.961 1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.229 -16.140 -1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.769 -17.379 -0.331 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.327 -10.120 3.424 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.135 -10.273 4.862 1.00 0.00 C ATOM 1390 C GLU A 89 -2.463 -10.163 5.605 1.00 0.00 C ATOM 1391 O GLU A 89 -2.834 -11.056 6.366 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.159 -9.216 5.382 1.00 0.00 C ATOM 1393 CG GLU A 89 1.296 -9.521 5.061 1.00 0.00 C ATOM 1394 CD GLU A 89 2.260 -8.768 5.957 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.332 -9.096 7.160 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.942 -7.850 5.455 1.00 0.00 O ATOM 0 H GLU A 89 -0.871 -9.301 3.022 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.719 -11.264 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.422 -8.249 4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.273 -9.128 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.470 -10.592 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.496 -9.264 4.021 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.172 -9.062 5.381 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.458 -8.835 6.031 1.00 0.00 C ATOM 1405 C ALA A 90 -5.444 -9.952 5.708 1.00 0.00 C ATOM 1406 O ALA A 90 -6.198 -10.397 6.573 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.029 -7.489 5.612 1.00 0.00 C ATOM 0 H ALA A 90 -2.878 -8.313 4.754 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.296 -8.831 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.989 -7.332 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.339 -6.696 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.169 -7.474 4.531 1.00 0.00 H new