USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 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 Single : A 13 GLN : amide:sc=-0.00474 X(o=-0.0047,f=-0.3) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 19 GLN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0.0705 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0834 USER MOD Single : A 37 HIS : no HD1:sc=-0.000631 X(o=-0.00063,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.05! C(o=-2!,f=-7.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.179 K(o=-0.18,f=-4.1!) USER MOD Single : A 49 CYS SG : rot -100:sc= 0.428 USER MOD Single : A 56 ASN : amide:sc= -1.38 X(o=-1.4,f=-0.92) USER MOD Single : A 62 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.56 K(o=-2.6,f=-4.3!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.6) USER MOD Single : A 82 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -8.901 2.087 -5.518 1.00 0.00 N ATOM 192 CA GLY A 12 -10.118 1.472 -5.022 1.00 0.00 C ATOM 193 C GLY A 12 -9.868 0.565 -3.833 1.00 0.00 C ATOM 194 O GLY A 12 -10.552 0.662 -2.815 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.825 2.251 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.583 0.896 -5.823 1.00 0.00 H new ATOM 198 N GLN A 13 -8.885 -0.320 -3.963 1.00 0.00 N ATOM 199 CA GLN A 13 -8.546 -1.249 -2.891 1.00 0.00 C ATOM 200 C GLN A 13 -8.089 -0.500 -1.644 1.00 0.00 C ATOM 201 O GLN A 13 -8.419 -0.883 -0.522 1.00 0.00 O ATOM 202 CB GLN A 13 -7.451 -2.213 -3.351 1.00 0.00 C ATOM 203 CG GLN A 13 -7.988 -3.476 -4.005 1.00 0.00 C ATOM 204 CD GLN A 13 -6.991 -4.618 -3.973 1.00 0.00 C ATOM 205 OE1 GLN A 13 -5.848 -4.472 -4.408 1.00 0.00 O ATOM 206 NE2 GLN A 13 -7.419 -5.763 -3.456 1.00 0.00 N ATOM 0 H GLN A 13 -8.309 -0.413 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.441 -1.818 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.798 -1.698 -4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.839 -2.490 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.903 -3.783 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.254 -3.260 -5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.374 -5.839 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.792 -6.566 -3.407 1.00 0.00 H new ATOM 215 N LEU A 14 -7.328 0.571 -1.848 1.00 0.00 N ATOM 216 CA LEU A 14 -6.826 1.374 -0.739 1.00 0.00 C ATOM 217 C LEU A 14 -7.973 2.051 0.005 1.00 0.00 C ATOM 218 O LEU A 14 -7.967 2.133 1.233 1.00 0.00 O ATOM 219 CB LEU A 14 -5.836 2.425 -1.249 1.00 0.00 C ATOM 220 CG LEU A 14 -4.397 2.248 -0.761 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.413 2.734 -1.815 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.185 2.989 0.550 1.00 0.00 C ATOM 0 H LEU A 14 -7.046 0.902 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.311 0.710 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.839 2.407 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.188 3.411 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.219 1.186 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.394 2.601 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.549 2.160 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.590 3.790 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.156 2.852 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.381 4.051 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.866 2.595 1.305 1.00 0.00 H new ATOM 234 N ALA A 15 -8.955 2.537 -0.748 1.00 0.00 N ATOM 235 CA ALA A 15 -10.107 3.208 -0.159 1.00 0.00 C ATOM 236 C ALA A 15 -10.873 2.271 0.769 1.00 0.00 C ATOM 237 O ALA A 15 -11.139 2.606 1.923 1.00 0.00 O ATOM 238 CB ALA A 15 -11.024 3.736 -1.252 1.00 0.00 C ATOM 0 H ALA A 15 -8.975 2.478 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.744 4.047 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.881 4.235 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.478 4.445 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.371 2.906 -1.868 1.00 0.00 H new ATOM 244 N THR A 16 -11.225 1.096 0.257 1.00 0.00 N ATOM 245 CA THR A 16 -11.960 0.110 1.041 1.00 0.00 C ATOM 246 C THR A 16 -11.076 -0.489 2.129 1.00 0.00 C ATOM 247 O THR A 16 -11.518 -0.695 3.259 1.00 0.00 O ATOM 248 CB THR A 16 -12.493 -0.999 0.133 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.865 -0.477 -1.131 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.697 -1.715 0.706 1.00 0.00 C ATOM 0 H THR A 16 -11.013 0.804 -0.697 1.00 0.00 H new ATOM 0 HA THR A 16 -12.800 0.615 1.518 1.00 0.00 H new ATOM 0 HB THR A 16 -11.675 -1.714 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.202 -1.202 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.024 -2.489 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.429 -2.172 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.506 -1.001 0.860 1.00 0.00 H new ATOM 258 N LEU A 17 -9.824 -0.766 1.780 1.00 0.00 N ATOM 259 CA LEU A 17 -8.875 -1.341 2.727 1.00 0.00 C ATOM 260 C LEU A 17 -8.627 -0.390 3.893 1.00 0.00 C ATOM 261 O LEU A 17 -8.880 -0.729 5.049 1.00 0.00 O ATOM 262 CB LEU A 17 -7.554 -1.662 2.025 1.00 0.00 C ATOM 263 CG LEU A 17 -6.473 -2.268 2.923 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.521 -3.787 2.863 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.097 -1.759 2.519 1.00 0.00 C ATOM 0 H LEU A 17 -9.443 -0.602 0.848 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.304 -2.263 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.754 -2.353 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.164 -0.746 1.581 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.665 -1.959 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.746 -4.201 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.497 -4.134 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.354 -4.116 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.341 -2.200 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.895 -2.038 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.068 -0.674 2.614 1.00 0.00 H new ATOM 277 N ARG A 18 -8.128 0.802 3.581 1.00 0.00 N ATOM 278 CA ARG A 18 -7.843 1.803 4.603 1.00 0.00 C ATOM 279 C ARG A 18 -9.106 2.171 5.376 1.00 0.00 C ATOM 280 O ARG A 18 -9.044 2.521 6.554 1.00 0.00 O ATOM 281 CB ARG A 18 -7.241 3.056 3.962 1.00 0.00 C ATOM 282 CG ARG A 18 -6.238 3.773 4.853 1.00 0.00 C ATOM 283 CD ARG A 18 -6.796 5.086 5.378 1.00 0.00 C ATOM 284 NE ARG A 18 -5.745 5.956 5.902 1.00 0.00 N ATOM 285 CZ ARG A 18 -4.938 6.687 5.136 1.00 0.00 C ATOM 286 NH1 ARG A 18 -5.057 6.656 3.814 1.00 0.00 N ATOM 287 NH2 ARG A 18 -4.008 7.451 5.693 1.00 0.00 N ATOM 0 H ARG A 18 -7.913 1.098 2.629 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.124 1.377 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.751 2.777 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.045 3.746 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.970 3.130 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.323 3.964 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.327 5.601 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.524 4.883 6.164 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.623 6.006 6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.770 6.070 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.436 7.218 3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.911 7.478 6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.390 8.011 5.106 1.00 0.00 H new ATOM 301 N GLN A 19 -10.251 2.092 4.705 1.00 0.00 N ATOM 302 CA GLN A 19 -11.527 2.418 5.331 1.00 0.00 C ATOM 303 C GLN A 19 -11.821 1.478 6.496 1.00 0.00 C ATOM 304 O GLN A 19 -12.049 1.921 7.621 1.00 0.00 O ATOM 305 CB GLN A 19 -12.657 2.344 4.302 1.00 0.00 C ATOM 306 CG GLN A 19 -12.977 3.681 3.653 1.00 0.00 C ATOM 307 CD GLN A 19 -14.232 4.318 4.216 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.103 4.766 3.470 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.331 4.360 5.539 1.00 0.00 N ATOM 0 H GLN A 19 -10.321 1.805 3.729 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.463 3.435 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.384 1.629 3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.555 1.961 4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.135 4.359 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.096 3.540 2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.585 3.976 6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.154 4.776 5.976 1.00 0.00 H new ATOM 318 N ARG A 20 -11.818 0.178 6.218 1.00 0.00 N ATOM 319 CA ARG A 20 -12.088 -0.823 7.244 1.00 0.00 C ATOM 320 C ARG A 20 -10.884 -1.002 8.164 1.00 0.00 C ATOM 321 O ARG A 20 -11.034 -1.332 9.340 1.00 0.00 O ATOM 322 CB ARG A 20 -12.458 -2.160 6.598 1.00 0.00 C ATOM 323 CG ARG A 20 -11.322 -2.796 5.813 1.00 0.00 C ATOM 324 CD ARG A 20 -11.610 -4.257 5.503 1.00 0.00 C ATOM 325 NE ARG A 20 -11.280 -4.600 4.121 1.00 0.00 N ATOM 326 CZ ARG A 20 -10.053 -4.905 3.704 1.00 0.00 C ATOM 327 NH1 ARG A 20 -9.034 -4.904 4.556 1.00 0.00 N ATOM 328 NH2 ARG A 20 -9.843 -5.210 2.431 1.00 0.00 N ATOM 0 H ARG A 20 -11.632 -0.207 5.292 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.928 -0.473 7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.782 -2.852 7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.308 -2.009 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.170 -2.249 4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.396 -2.719 6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.037 -4.891 6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.664 -4.465 5.686 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.035 -4.606 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.189 -4.669 5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.096 -5.139 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.621 -5.211 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.903 -5.444 2.111 1.00 0.00 H new ATOM 342 N CYS A 21 -9.690 -0.783 7.621 1.00 0.00 N ATOM 343 CA CYS A 21 -8.462 -0.922 8.397 1.00 0.00 C ATOM 344 C CYS A 21 -8.025 0.418 8.989 1.00 0.00 C ATOM 345 O CYS A 21 -6.896 0.557 9.459 1.00 0.00 O ATOM 346 CB CYS A 21 -7.344 -1.492 7.522 1.00 0.00 C ATOM 347 SG CYS A 21 -7.564 -3.232 7.085 1.00 0.00 S ATOM 0 H CYS A 21 -9.547 -0.509 6.649 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.663 -1.609 9.219 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.278 -0.904 6.607 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.394 -1.377 8.044 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.570 -3.622 6.343 1.00 0.00 H new ATOM 353 N ALA A 22 -8.923 1.400 8.966 1.00 0.00 N ATOM 354 CA ALA A 22 -8.619 2.720 9.504 1.00 0.00 C ATOM 355 C ALA A 22 -8.444 2.667 11.019 1.00 0.00 C ATOM 356 O ALA A 22 -7.404 3.063 11.547 1.00 0.00 O ATOM 357 CB ALA A 22 -9.713 3.709 9.127 1.00 0.00 C ATOM 0 H ALA A 22 -9.863 1.306 8.582 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.678 3.057 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.473 4.691 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.785 3.775 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.666 3.370 9.534 1.00 0.00 H new ATOM 363 N PRO A 23 -9.464 2.175 11.744 1.00 0.00 N ATOM 364 CA PRO A 23 -9.422 2.072 13.202 1.00 0.00 C ATOM 365 C PRO A 23 -8.719 0.804 13.681 1.00 0.00 C ATOM 366 O PRO A 23 -9.233 0.085 14.537 1.00 0.00 O ATOM 367 CB PRO A 23 -10.901 2.034 13.573 1.00 0.00 C ATOM 368 CG PRO A 23 -11.554 1.339 12.426 1.00 0.00 C ATOM 369 CD PRO A 23 -10.745 1.684 11.198 1.00 0.00 C ATOM 0 HA PRO A 23 -8.863 2.888 13.660 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.063 1.496 14.507 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.302 3.038 13.710 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.575 0.261 12.587 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.588 1.664 12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.599 0.814 10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.240 2.445 10.594 1.00 0.00 H new ATOM 377 N VAL A 24 -7.542 0.535 13.124 1.00 0.00 N ATOM 378 CA VAL A 24 -6.773 -0.647 13.499 1.00 0.00 C ATOM 379 C VAL A 24 -5.379 -0.274 14.004 1.00 0.00 C ATOM 380 O VAL A 24 -4.555 -1.148 14.270 1.00 0.00 O ATOM 381 CB VAL A 24 -6.630 -1.621 12.314 1.00 0.00 C ATOM 382 CG1 VAL A 24 -6.011 -2.933 12.772 1.00 0.00 C ATOM 383 CG2 VAL A 24 -7.980 -1.861 11.655 1.00 0.00 C ATOM 0 H VAL A 24 -7.101 1.118 12.413 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.325 -1.134 14.303 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.966 -1.172 11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.918 -3.608 11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.024 -2.742 13.193 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.647 -3.390 13.530 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.860 -2.551 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.669 -2.289 12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.380 -0.915 11.289 1.00 0.00 H new ATOM 393 N SER A 25 -5.119 1.025 14.136 1.00 0.00 N ATOM 394 CA SER A 25 -3.824 1.499 14.609 1.00 0.00 C ATOM 395 C SER A 25 -3.551 1.007 16.027 1.00 0.00 C ATOM 396 O SER A 25 -2.412 0.707 16.383 1.00 0.00 O ATOM 397 CB SER A 25 -3.770 3.027 14.567 1.00 0.00 C ATOM 398 OG SER A 25 -5.014 3.592 14.943 1.00 0.00 O ATOM 0 H SER A 25 -5.787 1.765 13.922 1.00 0.00 H new ATOM 0 HA SER A 25 -3.054 1.098 13.950 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.987 3.385 15.236 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.506 3.357 13.562 1.00 0.00 H new ATOM 0 HG SER A 25 -4.953 4.570 14.910 1.00 0.00 H new ATOM 404 N GLN A 26 -4.605 0.927 16.833 1.00 0.00 N ATOM 405 CA GLN A 26 -4.480 0.471 18.212 1.00 0.00 C ATOM 406 C GLN A 26 -4.049 -0.991 18.265 1.00 0.00 C ATOM 407 O GLN A 26 -3.307 -1.398 19.159 1.00 0.00 O ATOM 408 CB GLN A 26 -5.807 0.651 18.953 1.00 0.00 C ATOM 409 CG GLN A 26 -7.011 0.144 18.175 1.00 0.00 C ATOM 410 CD GLN A 26 -8.192 -0.174 19.072 1.00 0.00 C ATOM 411 OE1 GLN A 26 -9.153 0.592 19.147 1.00 0.00 O ATOM 412 NE2 GLN A 26 -8.125 -1.309 19.757 1.00 0.00 N ATOM 0 H GLN A 26 -5.555 1.172 16.554 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.714 1.074 18.700 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.755 0.127 19.908 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.948 1.708 19.177 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.308 0.894 17.442 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.730 -0.751 17.620 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.309 -1.913 19.664 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.890 -1.577 20.377 1.00 0.00 H new ATOM 421 N PHE A 27 -4.519 -1.776 17.301 1.00 0.00 N ATOM 422 CA PHE A 27 -4.182 -3.193 17.236 1.00 0.00 C ATOM 423 C PHE A 27 -3.374 -3.506 15.979 1.00 0.00 C ATOM 424 O PHE A 27 -3.394 -4.632 15.482 1.00 0.00 O ATOM 425 CB PHE A 27 -5.454 -4.042 17.261 1.00 0.00 C ATOM 426 CG PHE A 27 -5.257 -5.399 17.874 1.00 0.00 C ATOM 427 CD1 PHE A 27 -5.439 -5.593 19.234 1.00 0.00 C ATOM 428 CD2 PHE A 27 -4.889 -6.481 17.090 1.00 0.00 C ATOM 429 CE1 PHE A 27 -5.258 -6.841 19.800 1.00 0.00 C ATOM 430 CE2 PHE A 27 -4.706 -7.730 17.651 1.00 0.00 C ATOM 431 CZ PHE A 27 -4.891 -7.911 19.008 1.00 0.00 C ATOM 0 H PHE A 27 -5.135 -1.454 16.554 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.573 -3.435 18.107 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.226 -3.510 17.817 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.821 -4.162 16.242 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.725 -4.760 19.859 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.744 -6.346 16.028 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.404 -6.979 20.861 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.418 -8.565 17.029 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.749 -8.887 19.448 1.00 0.00 H new ATOM 441 N ALA A 28 -2.665 -2.503 15.471 1.00 0.00 N ATOM 442 CA ALA A 28 -1.851 -2.674 14.273 1.00 0.00 C ATOM 443 C ALA A 28 -0.469 -3.217 14.622 1.00 0.00 C ATOM 444 O ALA A 28 0.234 -2.658 15.464 1.00 0.00 O ATOM 445 CB ALA A 28 -1.729 -1.355 13.526 1.00 0.00 C ATOM 0 H ALA A 28 -2.638 -1.565 15.870 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.345 -3.400 13.627 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.119 -1.497 12.634 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.721 -1.008 13.236 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.260 -0.613 14.172 1.00 0.00 H new ATOM 451 N THR A 29 -0.086 -4.309 13.969 1.00 0.00 N ATOM 452 CA THR A 29 1.213 -4.927 14.210 1.00 0.00 C ATOM 453 C THR A 29 1.743 -5.592 12.945 1.00 0.00 C ATOM 454 O THR A 29 1.006 -6.279 12.237 1.00 0.00 O ATOM 455 CB THR A 29 1.110 -5.957 15.336 1.00 0.00 C ATOM 456 OG1 THR A 29 0.249 -5.495 16.362 1.00 0.00 O ATOM 457 CG2 THR A 29 2.444 -6.285 15.970 1.00 0.00 C ATOM 0 H THR A 29 -0.656 -4.784 13.269 1.00 0.00 H new ATOM 0 HA THR A 29 1.910 -4.143 14.506 1.00 0.00 H new ATOM 0 HB THR A 29 0.717 -6.859 14.867 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.195 -6.168 17.072 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.300 -7.021 16.761 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.116 -6.691 15.214 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.879 -5.379 16.393 1.00 0.00 H new ATOM 465 N LEU A 30 3.026 -5.384 12.666 1.00 0.00 N ATOM 466 CA LEU A 30 3.655 -5.964 11.486 1.00 0.00 C ATOM 467 C LEU A 30 4.379 -7.260 11.837 1.00 0.00 C ATOM 468 O LEU A 30 4.916 -7.405 12.935 1.00 0.00 O ATOM 469 CB LEU A 30 4.637 -4.967 10.864 1.00 0.00 C ATOM 470 CG LEU A 30 4.092 -4.181 9.670 1.00 0.00 C ATOM 471 CD1 LEU A 30 5.135 -3.199 9.157 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.659 -5.130 8.562 1.00 0.00 C ATOM 0 H LEU A 30 3.650 -4.818 13.241 1.00 0.00 H new ATOM 0 HA LEU A 30 2.873 -6.192 10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.949 -4.260 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.529 -5.508 10.547 1.00 0.00 H new ATOM 0 HG LEU A 30 3.220 -3.615 9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.730 -2.649 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.398 -2.500 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.026 -3.744 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.274 -4.555 7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.514 -5.723 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.879 -5.793 8.935 1.00 0.00 H new ATOM 484 N SER A 31 4.388 -8.200 10.898 1.00 0.00 N ATOM 485 CA SER A 31 5.045 -9.485 11.108 1.00 0.00 C ATOM 486 C SER A 31 6.561 -9.342 11.024 1.00 0.00 C ATOM 487 O SER A 31 7.078 -8.263 10.734 1.00 0.00 O ATOM 488 CB SER A 31 4.560 -10.504 10.075 1.00 0.00 C ATOM 489 OG SER A 31 4.173 -9.865 8.871 1.00 0.00 O ATOM 0 H SER A 31 3.948 -8.096 9.984 1.00 0.00 H new ATOM 0 HA SER A 31 4.786 -9.838 12.106 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.352 -11.224 9.870 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.717 -11.064 10.480 1.00 0.00 H new ATOM 0 HG SER A 31 3.869 -10.538 8.227 1.00 0.00 H new ATOM 495 N ALA A 32 7.268 -10.438 11.278 1.00 0.00 N ATOM 496 CA ALA A 32 8.726 -10.436 11.231 1.00 0.00 C ATOM 497 C ALA A 32 9.242 -10.582 9.799 1.00 0.00 C ATOM 498 O ALA A 32 10.450 -10.560 9.564 1.00 0.00 O ATOM 499 CB ALA A 32 9.281 -11.549 12.107 1.00 0.00 C ATOM 0 H ALA A 32 6.855 -11.339 11.519 1.00 0.00 H new ATOM 0 HA ALA A 32 9.071 -9.475 11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.370 -11.537 12.064 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.957 -11.397 13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.914 -12.511 11.749 1.00 0.00 H new ATOM 505 N ARG A 33 8.324 -10.731 8.846 1.00 0.00 N ATOM 506 CA ARG A 33 8.698 -10.879 7.444 1.00 0.00 C ATOM 507 C ARG A 33 8.633 -9.540 6.712 1.00 0.00 C ATOM 508 O ARG A 33 8.524 -9.498 5.487 1.00 0.00 O ATOM 509 CB ARG A 33 7.782 -11.893 6.756 1.00 0.00 C ATOM 510 CG ARG A 33 7.985 -13.321 7.237 1.00 0.00 C ATOM 511 CD ARG A 33 6.660 -14.002 7.542 1.00 0.00 C ATOM 512 NE ARG A 33 6.743 -15.453 7.393 1.00 0.00 N ATOM 513 CZ ARG A 33 7.346 -16.255 8.267 1.00 0.00 C ATOM 514 NH1 ARG A 33 7.918 -15.753 9.355 1.00 0.00 N ATOM 515 NH2 ARG A 33 7.376 -17.564 8.055 1.00 0.00 N ATOM 0 H ARG A 33 7.319 -10.752 9.020 1.00 0.00 H new ATOM 0 HA ARG A 33 9.726 -11.240 7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.744 -11.606 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.953 -11.853 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.520 -13.889 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.608 -13.319 8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.353 -13.759 8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.890 -13.613 6.876 1.00 0.00 H new ATOM 0 HE ARG A 33 6.313 -15.876 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.897 -14.747 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.379 -16.373 10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.937 -17.956 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.838 -18.179 8.725 1.00 0.00 H new ATOM 529 N PHE A 34 8.699 -8.448 7.469 1.00 0.00 N ATOM 530 CA PHE A 34 8.647 -7.114 6.893 1.00 0.00 C ATOM 531 C PHE A 34 9.820 -6.882 5.946 1.00 0.00 C ATOM 532 O PHE A 34 10.954 -7.259 6.242 1.00 0.00 O ATOM 533 CB PHE A 34 8.657 -6.069 8.007 1.00 0.00 C ATOM 534 CG PHE A 34 9.910 -6.084 8.834 1.00 0.00 C ATOM 535 CD1 PHE A 34 11.025 -5.361 8.440 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.974 -6.821 10.006 1.00 0.00 C ATOM 537 CE1 PHE A 34 12.179 -5.372 9.200 1.00 0.00 C ATOM 538 CE2 PHE A 34 11.125 -6.837 10.769 1.00 0.00 C ATOM 539 CZ PHE A 34 12.230 -6.111 10.366 1.00 0.00 C ATOM 0 H PHE A 34 8.789 -8.465 8.485 1.00 0.00 H new ATOM 0 HA PHE A 34 7.725 -7.022 6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.534 -5.080 7.567 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.799 -6.237 8.659 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.991 -4.782 7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.113 -7.390 10.326 1.00 0.00 H new ATOM 0 HE1 PHE A 34 13.040 -4.803 8.883 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.162 -7.416 11.680 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.131 -6.121 10.961 1.00 0.00 H new ATOM 549 N ASP A 35 9.539 -6.258 4.807 1.00 0.00 N ATOM 550 CA ASP A 35 10.571 -5.974 3.815 1.00 0.00 C ATOM 551 C ASP A 35 10.764 -4.470 3.647 1.00 0.00 C ATOM 552 O ASP A 35 9.800 -3.728 3.461 1.00 0.00 O ATOM 553 CB ASP A 35 10.204 -6.606 2.472 1.00 0.00 C ATOM 554 CG ASP A 35 10.573 -8.075 2.404 1.00 0.00 C ATOM 555 OD1 ASP A 35 11.436 -8.508 3.196 1.00 0.00 O ATOM 556 OD2 ASP A 35 9.997 -8.794 1.560 1.00 0.00 O ATOM 0 H ASP A 35 8.606 -5.939 4.547 1.00 0.00 H new ATOM 0 HA ASP A 35 11.508 -6.405 4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.133 -6.495 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.711 -6.069 1.670 1.00 0.00 H new ATOM 561 N ARG A 36 12.015 -4.028 3.714 1.00 0.00 N ATOM 562 CA ARG A 36 12.334 -2.612 3.568 1.00 0.00 C ATOM 563 C ARG A 36 12.091 -2.140 2.137 1.00 0.00 C ATOM 564 O ARG A 36 11.823 -0.963 1.899 1.00 0.00 O ATOM 565 CB ARG A 36 13.790 -2.353 3.966 1.00 0.00 C ATOM 566 CG ARG A 36 13.940 -1.373 5.118 1.00 0.00 C ATOM 567 CD ARG A 36 14.103 0.053 4.618 1.00 0.00 C ATOM 568 NE ARG A 36 15.508 0.438 4.510 1.00 0.00 N ATOM 569 CZ ARG A 36 16.259 0.798 5.548 1.00 0.00 C ATOM 570 NH1 ARG A 36 15.745 0.823 6.772 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.529 1.133 5.362 1.00 0.00 N ATOM 0 H ARG A 36 12.824 -4.629 3.868 1.00 0.00 H new ATOM 0 HA ARG A 36 11.677 -2.048 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.257 -3.299 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.332 -1.970 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.066 -1.435 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.804 -1.649 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.624 0.153 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.591 0.736 5.296 1.00 0.00 H new ATOM 0 HE ARG A 36 15.938 0.430 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.769 0.565 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.326 1.100 7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.929 1.115 4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.105 1.409 6.157 1.00 0.00 H new ATOM 585 N HIS A 37 12.188 -3.066 1.187 1.00 0.00 N ATOM 586 CA HIS A 37 11.980 -2.742 -0.219 1.00 0.00 C ATOM 587 C HIS A 37 10.494 -2.608 -0.536 1.00 0.00 C ATOM 588 O HIS A 37 10.103 -1.840 -1.415 1.00 0.00 O ATOM 589 CB HIS A 37 12.608 -3.817 -1.109 1.00 0.00 C ATOM 590 CG HIS A 37 13.290 -3.267 -2.323 1.00 0.00 C ATOM 591 ND1 HIS A 37 12.875 -3.541 -3.609 1.00 0.00 N ATOM 592 CD2 HIS A 37 14.366 -2.453 -2.442 1.00 0.00 C ATOM 593 CE1 HIS A 37 13.666 -2.920 -4.466 1.00 0.00 C ATOM 594 NE2 HIS A 37 14.578 -2.253 -3.784 1.00 0.00 N ATOM 0 H HIS A 37 12.409 -4.045 1.366 1.00 0.00 H new ATOM 0 HA HIS A 37 12.462 -1.785 -0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.330 -4.385 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.832 -4.515 -1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.949 -2.039 -1.633 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.581 -2.953 -5.542 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.320 -1.682 -4.188 1.00 0.00 H new ATOM 603 N LEU A 38 9.669 -3.361 0.185 1.00 0.00 N ATOM 604 CA LEU A 38 8.226 -3.326 -0.021 1.00 0.00 C ATOM 605 C LEU A 38 7.568 -2.298 0.893 1.00 0.00 C ATOM 606 O LEU A 38 6.564 -1.684 0.532 1.00 0.00 O ATOM 607 CB LEU A 38 7.622 -4.709 0.229 1.00 0.00 C ATOM 608 CG LEU A 38 8.305 -5.858 -0.515 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.753 -7.197 -0.052 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.131 -5.697 -2.017 1.00 0.00 C ATOM 0 H LEU A 38 9.975 -4.002 0.917 1.00 0.00 H new ATOM 0 HA LEU A 38 8.039 -3.036 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.658 -4.917 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.570 -4.686 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 38 9.371 -5.831 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.251 -8.002 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.930 -7.314 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.682 -7.236 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.623 -6.523 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.069 -5.698 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.576 -4.755 -2.336 1.00 0.00 H new ATOM 622 N PHE A 39 8.140 -2.114 2.079 1.00 0.00 N ATOM 623 CA PHE A 39 7.609 -1.160 3.045 1.00 0.00 C ATOM 624 C PHE A 39 8.596 -0.022 3.282 1.00 0.00 C ATOM 625 O PHE A 39 9.806 -0.195 3.135 1.00 0.00 O ATOM 626 CB PHE A 39 7.294 -1.862 4.367 1.00 0.00 C ATOM 627 CG PHE A 39 6.265 -2.949 4.239 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.052 -2.703 3.616 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.511 -4.216 4.742 1.00 0.00 C ATOM 630 CE1 PHE A 39 4.103 -3.701 3.496 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.566 -5.218 4.625 1.00 0.00 C ATOM 632 CZ PHE A 39 4.361 -4.960 4.001 1.00 0.00 C ATOM 0 H PHE A 39 8.972 -2.614 2.394 1.00 0.00 H new ATOM 0 HA PHE A 39 6.689 -0.741 2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.213 -2.288 4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.942 -1.123 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.846 -1.720 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.451 -4.423 5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.161 -3.496 3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.770 -6.202 5.021 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.622 -5.742 3.908 1.00 0.00 H new ATOM 642 N GLN A 40 8.072 1.143 3.649 1.00 0.00 N ATOM 643 CA GLN A 40 8.907 2.311 3.905 1.00 0.00 C ATOM 644 C GLN A 40 9.545 2.233 5.289 1.00 0.00 C ATOM 645 O GLN A 40 9.121 1.446 6.136 1.00 0.00 O ATOM 646 CB GLN A 40 8.078 3.592 3.779 1.00 0.00 C ATOM 647 CG GLN A 40 8.635 4.578 2.764 1.00 0.00 C ATOM 648 CD GLN A 40 9.293 5.778 3.416 1.00 0.00 C ATOM 649 OE1 GLN A 40 9.704 5.722 4.575 1.00 0.00 O ATOM 650 NE2 GLN A 40 9.395 6.874 2.672 1.00 0.00 N ATOM 0 H GLN A 40 7.073 1.303 3.776 1.00 0.00 H new ATOM 0 HA GLN A 40 9.704 2.329 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.059 3.329 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.024 4.078 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.362 4.070 2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.829 4.919 2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.041 6.876 1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.828 7.713 3.057 1.00 0.00 H new ATOM 659 N THR A 41 10.566 3.054 5.510 1.00 0.00 N ATOM 660 CA THR A 41 11.263 3.080 6.791 1.00 0.00 C ATOM 661 C THR A 41 10.331 3.521 7.916 1.00 0.00 C ATOM 662 O THR A 41 10.563 3.210 9.084 1.00 0.00 O ATOM 663 CB THR A 41 12.471 4.017 6.718 1.00 0.00 C ATOM 664 OG1 THR A 41 13.210 3.977 7.925 1.00 0.00 O ATOM 665 CG2 THR A 41 12.095 5.459 6.456 1.00 0.00 C ATOM 0 H THR A 41 10.929 3.710 4.819 1.00 0.00 H new ATOM 0 HA THR A 41 11.606 2.068 7.007 1.00 0.00 H new ATOM 0 HB THR A 41 13.066 3.656 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.979 4.581 7.858 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.998 6.069 6.416 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.567 5.530 5.505 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.449 5.818 7.258 1.00 0.00 H new ATOM 673 N ARG A 42 9.276 4.249 7.559 1.00 0.00 N ATOM 674 CA ARG A 42 8.312 4.731 8.542 1.00 0.00 C ATOM 675 C ARG A 42 7.118 3.785 8.655 1.00 0.00 C ATOM 676 O ARG A 42 6.044 4.181 9.108 1.00 0.00 O ATOM 677 CB ARG A 42 7.830 6.133 8.167 1.00 0.00 C ATOM 678 CG ARG A 42 8.957 7.142 8.012 1.00 0.00 C ATOM 679 CD ARG A 42 8.507 8.544 8.391 1.00 0.00 C ATOM 680 NE ARG A 42 9.000 9.550 7.452 1.00 0.00 N ATOM 681 CZ ARG A 42 8.505 10.782 7.358 1.00 0.00 C ATOM 682 NH1 ARG A 42 7.505 11.164 8.143 1.00 0.00 N ATOM 683 NH2 ARG A 42 9.010 11.634 6.477 1.00 0.00 N ATOM 0 H ARG A 42 9.068 4.517 6.597 1.00 0.00 H new ATOM 0 HA ARG A 42 8.811 4.769 9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.271 6.078 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.139 6.487 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.799 6.847 8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.310 7.139 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.418 8.579 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.862 8.780 9.394 1.00 0.00 H new ATOM 0 HE ARG A 42 9.768 9.293 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.112 10.512 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.129 12.109 8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.778 11.346 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.631 12.578 6.405 1.00 0.00 H new ATOM 697 N ALA A 43 7.310 2.535 8.242 1.00 0.00 N ATOM 698 CA ALA A 43 6.246 1.540 8.301 1.00 0.00 C ATOM 699 C ALA A 43 6.620 0.392 9.232 1.00 0.00 C ATOM 700 O ALA A 43 7.424 -0.471 8.878 1.00 0.00 O ATOM 701 CB ALA A 43 5.940 1.013 6.907 1.00 0.00 C ATOM 0 H ALA A 43 8.192 2.189 7.864 1.00 0.00 H new ATOM 0 HA ALA A 43 5.353 2.021 8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.144 0.271 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.622 1.837 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.835 0.553 6.487 1.00 0.00 H new ATOM 707 N THR A 44 6.033 0.388 10.424 1.00 0.00 N ATOM 708 CA THR A 44 6.305 -0.655 11.407 1.00 0.00 C ATOM 709 C THR A 44 5.009 -1.260 11.947 1.00 0.00 C ATOM 710 O THR A 44 5.019 -1.967 12.955 1.00 0.00 O ATOM 711 CB THR A 44 7.136 -0.091 12.561 1.00 0.00 C ATOM 712 OG1 THR A 44 6.811 1.268 12.795 1.00 0.00 O ATOM 713 CG2 THR A 44 8.627 -0.171 12.318 1.00 0.00 C ATOM 0 H THR A 44 5.366 1.095 10.733 1.00 0.00 H new ATOM 0 HA THR A 44 6.868 -1.444 10.909 1.00 0.00 H new ATOM 0 HB THR A 44 6.891 -0.710 13.424 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.351 1.610 13.537 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.158 0.245 13.174 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.918 -1.213 12.182 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.881 0.396 11.423 1.00 0.00 H new ATOM 721 N THR A 45 3.896 -0.981 11.273 1.00 0.00 N ATOM 722 CA THR A 45 2.601 -1.502 11.692 1.00 0.00 C ATOM 723 C THR A 45 1.579 -1.389 10.566 1.00 0.00 C ATOM 724 O THR A 45 1.845 -0.776 9.532 1.00 0.00 O ATOM 725 CB THR A 45 2.100 -0.751 12.927 1.00 0.00 C ATOM 726 OG1 THR A 45 2.425 0.625 12.844 1.00 0.00 O ATOM 727 CG2 THR A 45 2.674 -1.281 14.223 1.00 0.00 C ATOM 0 H THR A 45 3.866 -0.398 10.436 1.00 0.00 H new ATOM 0 HA THR A 45 2.726 -2.556 11.942 1.00 0.00 H new ATOM 0 HB THR A 45 1.020 -0.901 12.938 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.095 1.088 13.642 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.278 -0.704 15.059 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.398 -2.329 14.342 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.760 -1.192 14.203 1.00 0.00 H new ATOM 735 N LEU A 46 0.409 -1.985 10.773 1.00 0.00 N ATOM 736 CA LEU A 46 -0.655 -1.953 9.775 1.00 0.00 C ATOM 737 C LEU A 46 -1.047 -0.516 9.444 1.00 0.00 C ATOM 738 O LEU A 46 -1.108 -0.132 8.276 1.00 0.00 O ATOM 739 CB LEU A 46 -1.876 -2.725 10.277 1.00 0.00 C ATOM 740 CG LEU A 46 -1.622 -4.197 10.603 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.884 -4.850 11.144 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.122 -4.935 9.371 1.00 0.00 C ATOM 0 H LEU A 46 0.173 -2.496 11.623 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.283 -2.427 8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.257 -2.231 11.171 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.660 -2.666 9.522 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.852 -4.252 11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.684 -5.897 11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.199 -4.336 12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.676 -4.785 10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.946 -5.981 9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.869 -4.871 8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.192 -4.482 9.028 1.00 0.00 H new ATOM 754 N GLN A 47 -1.312 0.273 10.480 1.00 0.00 N ATOM 755 CA GLN A 47 -1.698 1.667 10.299 1.00 0.00 C ATOM 756 C GLN A 47 -0.589 2.450 9.604 1.00 0.00 C ATOM 757 O GLN A 47 -0.857 3.361 8.819 1.00 0.00 O ATOM 758 CB GLN A 47 -2.022 2.308 11.650 1.00 0.00 C ATOM 759 CG GLN A 47 -0.875 2.238 12.646 1.00 0.00 C ATOM 760 CD GLN A 47 -0.176 3.571 12.825 1.00 0.00 C ATOM 761 OE1 GLN A 47 0.116 4.268 11.852 1.00 0.00 O ATOM 762 NE2 GLN A 47 0.096 3.934 14.073 1.00 0.00 N ATOM 0 H GLN A 47 -1.266 -0.029 11.453 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.588 1.694 9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.292 3.352 11.492 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.894 1.814 12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.256 1.899 13.610 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.152 1.495 12.310 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.164 3.326 14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.565 4.821 14.255 1.00 0.00 H new ATOM 771 N ALA A 48 0.656 2.090 9.897 1.00 0.00 N ATOM 772 CA ALA A 48 1.805 2.758 9.299 1.00 0.00 C ATOM 773 C ALA A 48 1.860 2.513 7.795 1.00 0.00 C ATOM 774 O ALA A 48 2.241 3.395 7.025 1.00 0.00 O ATOM 775 CB ALA A 48 3.092 2.287 9.959 1.00 0.00 C ATOM 0 H ALA A 48 0.895 1.339 10.545 1.00 0.00 H new ATOM 0 HA ALA A 48 1.697 3.830 9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.942 2.794 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.061 2.518 11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.197 1.210 9.825 1.00 0.00 H new ATOM 781 N CYS A 49 1.475 1.309 7.384 1.00 0.00 N ATOM 782 CA CYS A 49 1.478 0.947 5.971 1.00 0.00 C ATOM 783 C CYS A 49 0.378 1.687 5.218 1.00 0.00 C ATOM 784 O CYS A 49 0.598 2.192 4.117 1.00 0.00 O ATOM 785 CB CYS A 49 1.294 -0.564 5.811 1.00 0.00 C ATOM 786 SG CYS A 49 2.844 -1.493 5.744 1.00 0.00 S ATOM 0 H CYS A 49 1.157 0.568 8.009 1.00 0.00 H new ATOM 0 HA CYS A 49 2.440 1.236 5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.695 -0.936 6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.728 -0.756 4.899 1.00 0.00 H new ATOM 0 HG CYS A 49 3.130 -1.772 4.507 1.00 0.00 H new ATOM 792 N LEU A 50 -0.806 1.747 5.818 1.00 0.00 N ATOM 793 CA LEU A 50 -1.941 2.425 5.204 1.00 0.00 C ATOM 794 C LEU A 50 -1.641 3.906 4.992 1.00 0.00 C ATOM 795 O LEU A 50 -1.864 4.445 3.908 1.00 0.00 O ATOM 796 CB LEU A 50 -3.189 2.266 6.074 1.00 0.00 C ATOM 797 CG LEU A 50 -3.551 0.823 6.429 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.497 0.787 7.619 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.169 0.119 5.231 1.00 0.00 C ATOM 0 H LEU A 50 -1.004 1.334 6.729 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.123 1.966 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.043 2.826 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.034 2.720 5.557 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.637 0.296 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.743 -0.248 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.017 1.253 8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.410 1.330 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.420 -0.907 5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.073 0.646 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.457 0.112 4.406 1.00 0.00 H new ATOM 811 N ASP A 51 -1.134 4.557 6.033 1.00 0.00 N ATOM 812 CA ASP A 51 -0.802 5.975 5.959 1.00 0.00 C ATOM 813 C ASP A 51 0.273 6.228 4.907 1.00 0.00 C ATOM 814 O ASP A 51 0.187 7.183 4.134 1.00 0.00 O ATOM 815 CB ASP A 51 -0.327 6.482 7.322 1.00 0.00 C ATOM 816 CG ASP A 51 -0.145 7.986 7.349 1.00 0.00 C ATOM 817 OD1 ASP A 51 0.759 8.488 6.647 1.00 0.00 O ATOM 818 OD2 ASP A 51 -0.905 8.664 8.072 1.00 0.00 O ATOM 0 H ASP A 51 -0.944 4.126 6.938 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.702 6.518 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.049 6.193 8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.617 6.000 7.577 1.00 0.00 H new ATOM 823 N GLU A 52 1.284 5.365 4.882 1.00 0.00 N ATOM 824 CA GLU A 52 2.375 5.495 3.924 1.00 0.00 C ATOM 825 C GLU A 52 1.866 5.333 2.496 1.00 0.00 C ATOM 826 O GLU A 52 2.271 6.067 1.594 1.00 0.00 O ATOM 827 CB GLU A 52 3.460 4.455 4.211 1.00 0.00 C ATOM 828 CG GLU A 52 4.657 4.550 3.279 1.00 0.00 C ATOM 829 CD GLU A 52 5.707 5.525 3.775 1.00 0.00 C ATOM 830 OE1 GLU A 52 6.187 5.351 4.915 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.050 6.462 3.024 1.00 0.00 O ATOM 0 H GLU A 52 1.370 4.569 5.514 1.00 0.00 H new ATOM 0 HA GLU A 52 2.801 6.493 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.801 4.573 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.026 3.458 4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.106 3.563 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.319 4.858 2.290 1.00 0.00 H new ATOM 838 N ALA A 53 0.974 4.368 2.297 1.00 0.00 N ATOM 839 CA ALA A 53 0.407 4.111 0.979 1.00 0.00 C ATOM 840 C ALA A 53 -0.333 5.335 0.452 1.00 0.00 C ATOM 841 O ALA A 53 -0.177 5.716 -0.708 1.00 0.00 O ATOM 842 CB ALA A 53 -0.524 2.909 1.031 1.00 0.00 C ATOM 0 H ALA A 53 0.628 3.751 3.032 1.00 0.00 H new ATOM 0 HA ALA A 53 1.226 3.892 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.941 2.728 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.034 2.031 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.333 3.106 1.734 1.00 0.00 H new ATOM 848 N GLY A 54 -1.139 5.948 1.312 1.00 0.00 N ATOM 849 CA GLY A 54 -1.892 7.123 0.916 1.00 0.00 C ATOM 850 C GLY A 54 -0.995 8.295 0.569 1.00 0.00 C ATOM 851 O GLY A 54 -1.289 9.062 -0.348 1.00 0.00 O ATOM 0 H GLY A 54 -1.284 5.652 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.515 6.879 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.564 7.410 1.725 1.00 0.00 H new ATOM 855 N ASP A 55 0.103 8.435 1.305 1.00 0.00 N ATOM 856 CA ASP A 55 1.047 9.521 1.071 1.00 0.00 C ATOM 857 C ASP A 55 1.873 9.261 -0.185 1.00 0.00 C ATOM 858 O ASP A 55 2.272 10.194 -0.882 1.00 0.00 O ATOM 859 CB ASP A 55 1.971 9.692 2.278 1.00 0.00 C ATOM 860 CG ASP A 55 2.266 11.148 2.579 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.292 11.958 1.629 1.00 0.00 O ATOM 862 OD2 ASP A 55 2.472 11.479 3.766 1.00 0.00 O ATOM 0 H ASP A 55 0.361 7.810 2.069 1.00 0.00 H new ATOM 0 HA ASP A 55 0.478 10.439 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.512 9.229 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.907 9.165 2.093 1.00 0.00 H new ATOM 867 N ASN A 56 2.125 7.987 -0.468 1.00 0.00 N ATOM 868 CA ASN A 56 2.902 7.603 -1.640 1.00 0.00 C ATOM 869 C ASN A 56 2.162 7.964 -2.924 1.00 0.00 C ATOM 870 O ASN A 56 2.709 8.631 -3.802 1.00 0.00 O ATOM 871 CB ASN A 56 3.199 6.103 -1.612 1.00 0.00 C ATOM 872 CG ASN A 56 4.524 5.788 -0.947 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.544 6.410 -1.243 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.516 4.816 -0.042 1.00 0.00 N ATOM 0 H ASN A 56 1.802 7.203 0.099 1.00 0.00 H new ATOM 0 HA ASN A 56 3.843 8.152 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.398 5.587 -1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.207 5.718 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.378 4.559 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.647 4.326 0.173 1.00 0.00 H new ATOM 881 N LEU A 57 0.914 7.518 -3.026 1.00 0.00 N ATOM 882 CA LEU A 57 0.098 7.794 -4.203 1.00 0.00 C ATOM 883 C LEU A 57 -0.201 9.285 -4.318 1.00 0.00 C ATOM 884 O LEU A 57 -0.213 9.842 -5.416 1.00 0.00 O ATOM 885 CB LEU A 57 -1.210 7.003 -4.139 1.00 0.00 C ATOM 886 CG LEU A 57 -2.150 7.398 -2.998 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.122 8.474 -3.457 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.903 6.181 -2.483 1.00 0.00 C ATOM 0 H LEU A 57 0.446 6.964 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 57 0.659 7.484 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.738 7.127 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.972 5.944 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.551 7.802 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.783 8.743 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.565 9.354 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.715 8.097 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.567 6.480 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.491 5.748 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.191 5.442 -2.115 1.00 0.00 H new ATOM 900 N ALA A 58 -0.440 9.925 -3.179 1.00 0.00 N ATOM 901 CA ALA A 58 -0.737 11.352 -3.152 1.00 0.00 C ATOM 902 C ALA A 58 0.450 12.168 -3.652 1.00 0.00 C ATOM 903 O ALA A 58 0.306 13.017 -4.532 1.00 0.00 O ATOM 904 CB ALA A 58 -1.123 11.785 -1.746 1.00 0.00 C ATOM 0 H ALA A 58 -0.434 9.478 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.579 11.536 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.342 12.853 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.006 11.232 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.298 11.581 -1.063 1.00 0.00 H new ATOM 910 N ALA A 59 1.623 11.904 -3.086 1.00 0.00 N ATOM 911 CA ALA A 59 2.836 12.613 -3.475 1.00 0.00 C ATOM 912 C ALA A 59 3.183 12.344 -4.935 1.00 0.00 C ATOM 913 O ALA A 59 3.710 13.213 -5.628 1.00 0.00 O ATOM 914 CB ALA A 59 3.993 12.212 -2.572 1.00 0.00 C ATOM 0 H ALA A 59 1.759 11.204 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 59 2.656 13.682 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.893 12.749 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.751 12.461 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.165 11.139 -2.656 1.00 0.00 H new ATOM 920 N LEU A 60 2.882 11.134 -5.396 1.00 0.00 N ATOM 921 CA LEU A 60 3.161 10.750 -6.774 1.00 0.00 C ATOM 922 C LEU A 60 2.185 11.422 -7.734 1.00 0.00 C ATOM 923 O LEU A 60 2.573 11.888 -8.806 1.00 0.00 O ATOM 924 CB LEU A 60 3.081 9.229 -6.927 1.00 0.00 C ATOM 925 CG LEU A 60 3.262 8.709 -8.355 1.00 0.00 C ATOM 926 CD1 LEU A 60 4.544 9.255 -8.964 1.00 0.00 C ATOM 927 CD2 LEU A 60 3.266 7.188 -8.371 1.00 0.00 C ATOM 0 H LEU A 60 2.445 10.403 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 60 4.170 11.081 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.842 8.775 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.114 8.892 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 60 2.423 9.056 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.655 8.874 -9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.501 10.344 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.396 8.939 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.396 6.835 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.085 6.820 -7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.320 6.817 -7.977 1.00 0.00 H new ATOM 939 N ARG A 61 0.916 11.470 -7.342 1.00 0.00 N ATOM 940 CA ARG A 61 -0.117 12.087 -8.167 1.00 0.00 C ATOM 941 C ARG A 61 0.211 13.550 -8.445 1.00 0.00 C ATOM 942 O ARG A 61 0.076 14.023 -9.573 1.00 0.00 O ATOM 943 CB ARG A 61 -1.480 11.977 -7.480 1.00 0.00 C ATOM 944 CG ARG A 61 -2.611 11.608 -8.428 1.00 0.00 C ATOM 945 CD ARG A 61 -3.545 12.784 -8.669 1.00 0.00 C ATOM 946 NE ARG A 61 -4.773 12.676 -7.885 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.857 13.417 -8.101 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.870 14.319 -9.074 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.932 13.254 -7.342 1.00 0.00 N ATOM 0 H ARG A 61 0.578 11.089 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.154 11.556 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.420 11.228 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.714 12.928 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.195 11.272 -9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.176 10.773 -8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.033 13.712 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.795 12.838 -9.729 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.801 11.993 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.046 14.447 -9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.704 14.884 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.927 12.561 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.763 13.821 -7.507 1.00 0.00 H new ATOM 963 N HIS A 62 0.641 14.262 -7.409 1.00 0.00 N ATOM 964 CA HIS A 62 0.989 15.672 -7.541 1.00 0.00 C ATOM 965 C HIS A 62 2.353 15.840 -8.206 1.00 0.00 C ATOM 966 O HIS A 62 2.618 16.853 -8.854 1.00 0.00 O ATOM 967 CB HIS A 62 0.992 16.347 -6.169 1.00 0.00 C ATOM 968 CG HIS A 62 0.959 17.843 -6.236 1.00 0.00 C ATOM 969 ND1 HIS A 62 -0.139 18.589 -5.863 1.00 0.00 N ATOM 970 CD2 HIS A 62 1.898 18.733 -6.636 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.126 19.873 -6.032 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.355 19.986 -6.498 1.00 0.00 N ATOM 0 H HIS A 62 0.757 13.886 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 62 0.238 16.147 -8.172 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.130 15.998 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.882 16.036 -5.622 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.889 18.500 -6.996 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.549 20.690 -5.824 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.826 20.863 -6.720 1.00 0.00 H new ATOM 981 N ALA A 63 3.216 14.842 -8.038 1.00 0.00 N ATOM 982 CA ALA A 63 4.553 14.880 -8.617 1.00 0.00 C ATOM 983 C ALA A 63 4.500 15.029 -10.135 1.00 0.00 C ATOM 984 O ALA A 63 5.429 15.557 -10.747 1.00 0.00 O ATOM 985 CB ALA A 63 5.328 13.628 -8.236 1.00 0.00 C ATOM 0 H ALA A 63 3.012 13.997 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 63 5.067 15.753 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.325 13.669 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.412 13.568 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.804 12.748 -8.609 1.00 0.00 H new ATOM 991 N VAL A 64 3.412 14.561 -10.739 1.00 0.00 N ATOM 992 CA VAL A 64 3.248 14.644 -12.187 1.00 0.00 C ATOM 993 C VAL A 64 3.387 16.082 -12.678 1.00 0.00 C ATOM 994 O VAL A 64 3.826 16.326 -13.802 1.00 0.00 O ATOM 995 CB VAL A 64 1.880 14.089 -12.634 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.740 12.628 -12.237 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.746 14.918 -12.050 1.00 0.00 C ATOM 0 H VAL A 64 2.632 14.121 -10.250 1.00 0.00 H new ATOM 0 HA VAL A 64 4.038 14.036 -12.627 1.00 0.00 H new ATOM 0 HB VAL A 64 1.823 14.154 -13.721 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.769 12.254 -12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.529 12.045 -12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.821 12.536 -11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.210 14.509 -12.378 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.798 14.890 -10.962 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.836 15.949 -12.392 1.00 0.00 H new ATOM 1007 N GLU A 65 3.010 17.031 -11.827 1.00 0.00 N ATOM 1008 CA GLU A 65 3.092 18.445 -12.172 1.00 0.00 C ATOM 1009 C GLU A 65 4.532 18.850 -12.475 1.00 0.00 C ATOM 1010 O GLU A 65 4.779 19.744 -13.284 1.00 0.00 O ATOM 1011 CB GLU A 65 2.534 19.302 -11.033 1.00 0.00 C ATOM 1012 CG GLU A 65 1.443 20.264 -11.474 1.00 0.00 C ATOM 1013 CD GLU A 65 0.337 20.402 -10.446 1.00 0.00 C ATOM 1014 OE1 GLU A 65 0.609 20.935 -9.349 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -0.800 19.976 -10.737 1.00 0.00 O ATOM 0 H GLU A 65 2.645 16.846 -10.893 1.00 0.00 H new ATOM 0 HA GLU A 65 2.493 18.611 -13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.137 18.647 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.349 19.871 -10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.882 21.243 -11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.017 19.918 -12.416 1.00 0.00 H new ATOM 1022 N GLN A 66 5.479 18.187 -11.819 1.00 0.00 N ATOM 1023 CA GLN A 66 6.894 18.480 -12.017 1.00 0.00 C ATOM 1024 C GLN A 66 7.531 17.491 -12.992 1.00 0.00 C ATOM 1025 O GLN A 66 8.749 17.313 -12.999 1.00 0.00 O ATOM 1026 CB GLN A 66 7.636 18.443 -10.679 1.00 0.00 C ATOM 1027 CG GLN A 66 7.767 19.806 -10.019 1.00 0.00 C ATOM 1028 CD GLN A 66 9.174 20.082 -9.525 1.00 0.00 C ATOM 1029 OE1 GLN A 66 9.483 19.876 -8.351 1.00 0.00 O ATOM 1030 NE2 GLN A 66 10.035 20.551 -10.420 1.00 0.00 N ATOM 0 H GLN A 66 5.292 17.444 -11.146 1.00 0.00 H new ATOM 0 HA GLN A 66 6.972 19.480 -12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.112 17.769 -10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.631 18.027 -10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.477 20.579 -10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.073 19.868 -9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.736 20.707 -11.383 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.996 20.755 -10.145 1.00 0.00 H new ATOM 1039 N GLN A 67 6.704 16.851 -13.813 1.00 0.00 N ATOM 1040 CA GLN A 67 7.194 15.883 -14.789 1.00 0.00 C ATOM 1041 C GLN A 67 7.973 14.763 -14.105 1.00 0.00 C ATOM 1042 O GLN A 67 9.137 14.517 -14.423 1.00 0.00 O ATOM 1043 CB GLN A 67 8.079 16.579 -15.825 1.00 0.00 C ATOM 1044 CG GLN A 67 7.316 17.523 -16.741 1.00 0.00 C ATOM 1045 CD GLN A 67 6.823 16.839 -18.001 1.00 0.00 C ATOM 1046 OE1 GLN A 67 7.390 17.015 -19.079 1.00 0.00 O ATOM 1047 NE2 GLN A 67 5.759 16.055 -17.871 1.00 0.00 N ATOM 0 H GLN A 67 5.693 16.985 -13.822 1.00 0.00 H new ATOM 0 HA GLN A 67 6.333 15.443 -15.292 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.858 17.139 -15.308 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.578 15.823 -16.431 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.465 17.939 -16.201 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.960 18.359 -17.014 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.320 15.938 -16.958 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.380 15.570 -18.685 1.00 0.00 H new ATOM 1056 N GLN A 68 7.324 14.086 -13.164 1.00 0.00 N ATOM 1057 CA GLN A 68 7.956 12.993 -12.435 1.00 0.00 C ATOM 1058 C GLN A 68 7.446 11.642 -12.932 1.00 0.00 C ATOM 1059 O GLN A 68 7.262 10.709 -12.151 1.00 0.00 O ATOM 1060 CB GLN A 68 7.695 13.137 -10.933 1.00 0.00 C ATOM 1061 CG GLN A 68 8.896 13.649 -10.154 1.00 0.00 C ATOM 1062 CD GLN A 68 8.550 14.811 -9.244 1.00 0.00 C ATOM 1063 OE1 GLN A 68 7.734 15.665 -9.590 1.00 0.00 O ATOM 1064 NE2 GLN A 68 9.172 14.850 -8.071 1.00 0.00 N ATOM 0 H GLN A 68 6.360 14.275 -12.888 1.00 0.00 H new ATOM 0 HA GLN A 68 9.030 13.040 -12.613 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.857 13.818 -10.782 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.396 12.169 -10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.310 12.836 -9.557 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.672 13.959 -10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.841 14.121 -7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.980 15.609 -7.417 1.00 0.00 H new ATOM 1073 N LEU A 69 7.221 11.546 -14.239 1.00 0.00 N ATOM 1074 CA LEU A 69 6.733 10.309 -14.840 1.00 0.00 C ATOM 1075 C LEU A 69 7.713 9.157 -14.613 1.00 0.00 C ATOM 1076 O LEU A 69 7.305 8.053 -14.253 1.00 0.00 O ATOM 1077 CB LEU A 69 6.488 10.501 -16.339 1.00 0.00 C ATOM 1078 CG LEU A 69 5.685 11.751 -16.710 1.00 0.00 C ATOM 1079 CD1 LEU A 69 6.256 12.404 -17.960 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.218 11.400 -16.914 1.00 0.00 C ATOM 0 H LEU A 69 7.368 12.308 -14.901 1.00 0.00 H new ATOM 0 HA LEU A 69 5.790 10.055 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.452 10.543 -16.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.964 9.625 -16.721 1.00 0.00 H new ATOM 0 HG LEU A 69 5.759 12.463 -15.888 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.671 13.290 -18.207 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.292 12.691 -17.780 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.214 11.699 -18.790 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.662 12.300 -17.177 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.127 10.669 -17.718 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.813 10.979 -15.994 1.00 0.00 H new ATOM 1092 N PRO A 70 9.024 9.392 -14.819 1.00 0.00 N ATOM 1093 CA PRO A 70 10.046 8.355 -14.630 1.00 0.00 C ATOM 1094 C PRO A 70 10.051 7.800 -13.209 1.00 0.00 C ATOM 1095 O PRO A 70 10.419 6.647 -12.984 1.00 0.00 O ATOM 1096 CB PRO A 70 11.364 9.082 -14.921 1.00 0.00 C ATOM 1097 CG PRO A 70 10.979 10.271 -15.731 1.00 0.00 C ATOM 1098 CD PRO A 70 9.615 10.672 -15.249 1.00 0.00 C ATOM 0 HA PRO A 70 9.870 7.495 -15.276 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.863 9.378 -13.998 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.056 8.441 -15.466 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.695 11.083 -15.598 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.963 10.031 -16.794 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.671 11.386 -14.428 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.030 11.141 -16.040 1.00 0.00 H new ATOM 1106 N GLN A 71 9.640 8.629 -12.255 1.00 0.00 N ATOM 1107 CA GLN A 71 9.598 8.223 -10.854 1.00 0.00 C ATOM 1108 C GLN A 71 8.375 7.354 -10.569 1.00 0.00 C ATOM 1109 O GLN A 71 8.368 6.571 -9.619 1.00 0.00 O ATOM 1110 CB GLN A 71 9.590 9.455 -9.946 1.00 0.00 C ATOM 1111 CG GLN A 71 10.823 9.568 -9.064 1.00 0.00 C ATOM 1112 CD GLN A 71 11.671 10.781 -9.397 1.00 0.00 C ATOM 1113 OE1 GLN A 71 11.777 11.715 -8.603 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.279 10.771 -10.577 1.00 0.00 N ATOM 0 H GLN A 71 9.331 9.586 -12.426 1.00 0.00 H new ATOM 0 HA GLN A 71 10.491 7.633 -10.647 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.511 10.350 -10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.703 9.424 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.514 9.621 -8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.426 8.667 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.163 9.975 -11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.862 11.559 -10.857 1.00 0.00 H new ATOM 1123 N VAL A 72 7.342 7.497 -11.395 1.00 0.00 N ATOM 1124 CA VAL A 72 6.117 6.724 -11.225 1.00 0.00 C ATOM 1125 C VAL A 72 6.402 5.225 -11.262 1.00 0.00 C ATOM 1126 O VAL A 72 5.690 4.433 -10.644 1.00 0.00 O ATOM 1127 CB VAL A 72 5.079 7.067 -12.312 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.784 6.302 -12.081 1.00 0.00 C ATOM 1129 CG2 VAL A 72 4.818 8.566 -12.348 1.00 0.00 C ATOM 0 H VAL A 72 7.329 8.140 -12.187 1.00 0.00 H new ATOM 0 HA VAL A 72 5.709 6.989 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 72 5.484 6.766 -13.278 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.066 6.559 -12.859 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.984 5.231 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.374 6.567 -11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.083 8.789 -13.121 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.437 8.892 -11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.747 9.092 -12.568 1.00 0.00 H new ATOM 1139 N ALA A 73 7.447 4.842 -11.989 1.00 0.00 N ATOM 1140 CA ALA A 73 7.823 3.439 -12.104 1.00 0.00 C ATOM 1141 C ALA A 73 8.170 2.846 -10.742 1.00 0.00 C ATOM 1142 O ALA A 73 7.685 1.775 -10.379 1.00 0.00 O ATOM 1143 CB ALA A 73 8.995 3.285 -13.062 1.00 0.00 C ATOM 0 H ALA A 73 8.048 5.484 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 73 6.967 2.892 -12.500 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.266 2.232 -13.139 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.712 3.660 -14.046 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.847 3.853 -12.688 1.00 0.00 H new ATOM 1149 N TRP A 74 9.013 3.550 -9.993 1.00 0.00 N ATOM 1150 CA TRP A 74 9.426 3.092 -8.672 1.00 0.00 C ATOM 1151 C TRP A 74 8.275 3.184 -7.675 1.00 0.00 C ATOM 1152 O TRP A 74 7.955 2.212 -6.990 1.00 0.00 O ATOM 1153 CB TRP A 74 10.614 3.917 -8.172 1.00 0.00 C ATOM 1154 CG TRP A 74 11.551 3.139 -7.299 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.195 1.979 -7.618 1.00 0.00 C ATOM 1156 CD2 TRP A 74 11.949 3.466 -5.963 1.00 0.00 C ATOM 1157 NE1 TRP A 74 12.970 1.564 -6.561 1.00 0.00 N ATOM 1158 CE2 TRP A 74 12.835 2.460 -5.533 1.00 0.00 C ATOM 1159 CE3 TRP A 74 11.642 4.512 -5.087 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 13.417 2.471 -4.268 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.221 4.521 -3.832 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.099 3.507 -3.433 1.00 0.00 C ATOM 0 H TRP A 74 9.423 4.439 -10.279 1.00 0.00 H new ATOM 0 HA TRP A 74 9.725 2.047 -8.757 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.165 4.305 -9.029 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.242 4.778 -7.617 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.109 1.463 -8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.551 0.726 -6.545 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.965 5.298 -5.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.095 1.690 -3.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.992 5.324 -3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.535 3.543 -2.445 1.00 0.00 H new ATOM 1173 N LEU A 75 7.656 4.358 -7.598 1.00 0.00 N ATOM 1174 CA LEU A 75 6.542 4.577 -6.682 1.00 0.00 C ATOM 1175 C LEU A 75 5.408 3.592 -6.955 1.00 0.00 C ATOM 1176 O LEU A 75 4.805 3.054 -6.026 1.00 0.00 O ATOM 1177 CB LEU A 75 6.030 6.014 -6.804 1.00 0.00 C ATOM 1178 CG LEU A 75 6.602 6.993 -5.777 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.832 8.358 -6.408 1.00 0.00 C ATOM 1180 CD2 LEU A 75 5.674 7.108 -4.578 1.00 0.00 C ATOM 0 H LEU A 75 7.907 5.172 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 75 6.901 4.412 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.261 6.383 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.944 6.006 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 75 7.563 6.609 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.239 9.040 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.536 8.263 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.886 8.751 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.096 7.808 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.699 7.468 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.561 6.130 -4.110 1.00 0.00 H new ATOM 1192 N ALA A 76 5.123 3.362 -8.232 1.00 0.00 N ATOM 1193 CA ALA A 76 4.061 2.441 -8.622 1.00 0.00 C ATOM 1194 C ALA A 76 4.354 1.027 -8.134 1.00 0.00 C ATOM 1195 O ALA A 76 3.500 0.378 -7.531 1.00 0.00 O ATOM 1196 CB ALA A 76 3.880 2.453 -10.133 1.00 0.00 C ATOM 0 H ALA A 76 5.611 3.799 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 76 3.135 2.774 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.084 1.761 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.616 3.459 -10.460 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.810 2.148 -10.613 1.00 0.00 H new ATOM 1202 N GLU A 77 5.568 0.555 -8.399 1.00 0.00 N ATOM 1203 CA GLU A 77 5.974 -0.783 -7.986 1.00 0.00 C ATOM 1204 C GLU A 77 5.911 -0.929 -6.469 1.00 0.00 C ATOM 1205 O GLU A 77 5.509 -1.971 -5.952 1.00 0.00 O ATOM 1206 CB GLU A 77 7.390 -1.084 -8.481 1.00 0.00 C ATOM 1207 CG GLU A 77 7.616 -2.548 -8.824 1.00 0.00 C ATOM 1208 CD GLU A 77 8.598 -3.223 -7.886 1.00 0.00 C ATOM 1209 OE1 GLU A 77 9.747 -2.743 -7.783 1.00 0.00 O ATOM 1210 OE2 GLU A 77 8.219 -4.232 -7.254 1.00 0.00 O ATOM 0 H GLU A 77 6.287 1.079 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 77 5.281 -1.498 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.594 -0.477 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.105 -0.784 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.663 -3.077 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.985 -2.625 -9.847 1.00 0.00 H new ATOM 1217 N HIS A 78 6.311 0.123 -5.761 1.00 0.00 N ATOM 1218 CA HIS A 78 6.300 0.111 -4.303 1.00 0.00 C ATOM 1219 C HIS A 78 4.871 0.105 -3.769 1.00 0.00 C ATOM 1220 O HIS A 78 4.545 -0.645 -2.849 1.00 0.00 O ATOM 1221 CB HIS A 78 7.056 1.324 -3.756 1.00 0.00 C ATOM 1222 CG HIS A 78 7.588 1.122 -2.371 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.716 1.758 -1.897 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.139 0.349 -1.354 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.939 1.385 -0.650 1.00 0.00 C ATOM 1226 NE2 HIS A 78 7.996 0.531 -0.296 1.00 0.00 N ATOM 0 H HIS A 78 6.646 0.994 -6.173 1.00 0.00 H new ATOM 0 HA HIS A 78 6.797 -0.800 -3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.885 1.557 -4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.391 2.188 -3.759 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.289 2.414 -2.427 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.269 -0.291 -1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.754 1.721 -0.026 1.00 0.00 H new ATOM 1235 N LEU A 79 4.023 0.946 -4.352 1.00 0.00 N ATOM 1236 CA LEU A 79 2.629 1.037 -3.934 1.00 0.00 C ATOM 1237 C LEU A 79 1.908 -0.289 -4.151 1.00 0.00 C ATOM 1238 O LEU A 79 1.095 -0.708 -3.326 1.00 0.00 O ATOM 1239 CB LEU A 79 1.916 2.152 -4.704 1.00 0.00 C ATOM 1240 CG LEU A 79 1.894 3.511 -4.002 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.496 4.609 -4.977 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.944 3.480 -2.814 1.00 0.00 C ATOM 0 H LEU A 79 4.277 1.574 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 79 2.609 1.270 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.399 2.269 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.889 1.842 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 79 2.897 3.726 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.486 5.569 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.214 4.646 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.503 4.400 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.940 4.454 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.062 3.243 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.273 2.720 -2.105 1.00 0.00 H new ATOM 1254 N ALA A 80 2.210 -0.946 -5.266 1.00 0.00 N ATOM 1255 CA ALA A 80 1.590 -2.225 -5.592 1.00 0.00 C ATOM 1256 C ALA A 80 1.994 -3.303 -4.592 1.00 0.00 C ATOM 1257 O ALA A 80 1.143 -3.987 -4.024 1.00 0.00 O ATOM 1258 CB ALA A 80 1.963 -2.646 -7.005 1.00 0.00 C ATOM 0 H ALA A 80 2.880 -0.614 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 80 0.509 -2.102 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.494 -3.602 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.617 -1.892 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.046 -2.746 -7.081 1.00 0.00 H new ATOM 1264 N ALA A 81 3.299 -3.449 -4.382 1.00 0.00 N ATOM 1265 CA ALA A 81 3.817 -4.445 -3.451 1.00 0.00 C ATOM 1266 C ALA A 81 3.261 -4.230 -2.047 1.00 0.00 C ATOM 1267 O ALA A 81 3.024 -5.187 -1.310 1.00 0.00 O ATOM 1268 CB ALA A 81 5.338 -4.403 -3.429 1.00 0.00 C ATOM 0 H ALA A 81 4.016 -2.890 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 81 3.494 -5.428 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.713 -5.151 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.722 -4.614 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.670 -3.414 -3.114 1.00 0.00 H new ATOM 1274 N GLN A 82 3.054 -2.969 -1.684 1.00 0.00 N ATOM 1275 CA GLN A 82 2.526 -2.629 -0.368 1.00 0.00 C ATOM 1276 C GLN A 82 1.099 -3.143 -0.203 1.00 0.00 C ATOM 1277 O GLN A 82 0.799 -3.881 0.735 1.00 0.00 O ATOM 1278 CB GLN A 82 2.562 -1.114 -0.156 1.00 0.00 C ATOM 1279 CG GLN A 82 2.846 -0.707 1.281 1.00 0.00 C ATOM 1280 CD GLN A 82 3.438 0.685 1.386 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.638 0.846 1.612 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.598 1.700 1.222 1.00 0.00 N ATOM 0 H GLN A 82 3.244 -2.165 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 82 3.155 -3.109 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.325 -0.683 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.606 -0.690 -0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.921 -0.749 1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.533 -1.425 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.611 1.520 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.939 2.659 1.282 1.00 0.00 H new ATOM 1291 N LEU A 83 0.223 -2.747 -1.121 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.173 -3.167 -1.077 1.00 0.00 C ATOM 1293 C LEU A 83 -1.291 -4.681 -1.228 1.00 0.00 C ATOM 1294 O LEU A 83 -2.204 -5.300 -0.681 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.973 -2.464 -2.177 1.00 0.00 C ATOM 1296 CG LEU A 83 -3.248 -1.764 -1.703 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.589 -0.599 -2.620 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -4.404 -2.750 -1.637 1.00 0.00 C ATOM 0 H LEU A 83 0.455 -2.136 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.582 -2.886 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.330 -1.727 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.241 -3.199 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.074 -1.372 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.499 -0.113 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.769 0.119 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.744 -0.967 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.303 -2.235 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.579 -3.172 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.160 -3.551 -0.939 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.362 -5.270 -1.974 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.362 -6.711 -2.198 1.00 0.00 C ATOM 1312 C GLU A 84 -0.090 -7.464 -0.899 1.00 0.00 C ATOM 1313 O GLU A 84 -0.720 -8.483 -0.617 1.00 0.00 O ATOM 1314 CB GLU A 84 0.685 -7.085 -3.248 1.00 0.00 C ATOM 1315 CG GLU A 84 0.226 -8.174 -4.204 1.00 0.00 C ATOM 1316 CD GLU A 84 0.533 -9.567 -3.691 1.00 0.00 C ATOM 1317 OE1 GLU A 84 1.473 -9.708 -2.881 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -0.167 -10.518 -4.100 1.00 0.00 O ATOM 0 H GLU A 84 0.400 -4.772 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.349 -6.997 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.946 -6.196 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.592 -7.416 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.847 -8.080 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.710 -8.032 -5.170 1.00 0.00 H new ATOM 1325 N ALA A 85 0.852 -6.955 -0.113 1.00 0.00 N ATOM 1326 CA ALA A 85 1.208 -7.578 1.156 1.00 0.00 C ATOM 1327 C ALA A 85 0.079 -7.441 2.172 1.00 0.00 C ATOM 1328 O ALA A 85 -0.180 -8.355 2.954 1.00 0.00 O ATOM 1329 CB ALA A 85 2.490 -6.967 1.702 1.00 0.00 C ATOM 0 H ALA A 85 1.383 -6.112 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 85 1.372 -8.641 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.744 -7.441 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.300 -7.123 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.346 -5.898 1.859 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.590 -6.293 2.154 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.691 -6.036 3.073 1.00 0.00 C ATOM 1337 C ILE A 86 -2.896 -6.910 2.744 1.00 0.00 C ATOM 1338 O ILE A 86 -3.549 -7.448 3.638 1.00 0.00 O ATOM 1339 CB ILE A 86 -2.119 -4.555 3.040 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.905 -3.644 3.229 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.166 -4.280 4.109 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -1.059 -2.288 2.577 1.00 0.00 C ATOM 0 H ILE A 86 -0.388 -5.526 1.513 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.331 -6.279 4.073 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.559 -4.343 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.726 -3.507 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.024 -4.137 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.457 -3.230 4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.041 -4.906 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.751 -4.507 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.161 -1.696 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.207 -2.415 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.921 -1.775 3.004 1.00 0.00 H new ATOM 1354 N ALA A 87 -3.186 -7.048 1.454 1.00 0.00 N ATOM 1355 CA ALA A 87 -4.312 -7.857 1.006 1.00 0.00 C ATOM 1356 C ALA A 87 -4.078 -9.336 1.297 1.00 0.00 C ATOM 1357 O ALA A 87 -4.996 -10.055 1.689 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.557 -7.643 -0.480 1.00 0.00 C ATOM 0 H ALA A 87 -2.656 -6.609 0.701 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.196 -7.541 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.401 -8.253 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.778 -6.592 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.667 -7.930 -1.040 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.841 -9.783 1.103 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.486 -11.176 1.345 1.00 0.00 C ATOM 1366 C ARG A 88 -2.522 -11.497 2.835 1.00 0.00 C ATOM 1367 O ARG A 88 -3.141 -12.474 3.255 1.00 0.00 O ATOM 1368 CB ARG A 88 -1.095 -11.474 0.781 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.933 -12.902 0.284 1.00 0.00 C ATOM 1370 CD ARG A 88 0.518 -13.218 -0.039 1.00 0.00 C ATOM 1371 NE ARG A 88 0.691 -14.595 -0.495 1.00 0.00 N ATOM 1372 CZ ARG A 88 0.729 -15.646 0.320 1.00 0.00 C ATOM 1373 NH1 ARG A 88 0.609 -15.483 1.632 1.00 0.00 N ATOM 1374 NH2 ARG A 88 0.888 -16.865 -0.177 1.00 0.00 N ATOM 0 H ARG A 88 -2.069 -9.201 0.779 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.219 -11.805 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.890 -10.787 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.350 -11.280 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.298 -13.596 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.546 -13.051 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.875 -12.534 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.131 -13.050 0.846 1.00 0.00 H new ATOM 0 HE ARG A 88 0.788 -14.760 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.487 -14.548 2.021 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.639 -16.293 2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.981 -16.997 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.917 -17.671 0.448 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.854 -10.668 3.630 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.809 -10.863 5.075 1.00 0.00 C ATOM 1390 C GLU A 89 -3.211 -10.814 5.675 1.00 0.00 C ATOM 1391 O GLU A 89 -3.616 -11.718 6.406 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.925 -9.799 5.727 1.00 0.00 C ATOM 1393 CG GLU A 89 0.553 -9.961 5.414 1.00 0.00 C ATOM 1394 CD GLU A 89 1.408 -8.894 6.070 1.00 0.00 C ATOM 1395 OE1 GLU A 89 0.944 -7.738 6.166 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.540 -9.214 6.488 1.00 0.00 O ATOM 0 H GLU A 89 -1.336 -9.854 3.298 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.384 -11.848 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.252 -8.814 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.065 -9.834 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.886 -10.944 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.698 -9.925 4.334 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.946 -9.752 5.363 1.00 0.00 N ATOM 1404 CA ALA A 90 -5.301 -9.584 5.872 1.00 0.00 C ATOM 1405 C ALA A 90 -6.210 -10.712 5.396 1.00 0.00 C ATOM 1406 O ALA A 90 -6.969 -11.284 6.179 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.862 -8.236 5.444 1.00 0.00 C ATOM 0 H ALA A 90 -3.625 -8.995 4.760 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.261 -9.620 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.875 -8.124 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.232 -7.438 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.881 -8.179 4.356 1.00 0.00 H new